USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 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 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000898) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-3.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.19) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc=-0.00462 X(o=-0.0046,f=-0.077) USER MOD Single : A 46 GLN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 51 CYS SG : rot -130:sc= -0.0745 USER MOD Single : A 55 HIS : no HD1:sc= -4.36 X(o=-4.4,f=-4.5) USER MOD Single : A 64 ASN : amide:sc= -0.121 X(o=-0.12,f=0.14) USER MOD Single : A 67 ASN : amide:sc= 0.332 K(o=0.33,f=-2.1!) USER MOD Single : A 71 THR OG1 : rot -140:sc= -1.03 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -0.446 K(o=-0.45,f=-0.96) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.6!) USER MOD Single : A 83 GLN : amide:sc= -0.999 K(o=-1,f=-4.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.724 -1.742 2.964 1.00 0.00 N ATOM 2 CA PRO A 9 -16.400 -1.027 1.699 1.00 0.00 C ATOM 3 C PRO A 9 -14.957 -1.275 1.259 1.00 0.00 C ATOM 4 O PRO A 9 -14.017 -0.737 1.849 1.00 0.00 O ATOM 5 CB PRO A 9 -16.633 0.463 1.940 1.00 0.00 C ATOM 6 CG PRO A 9 -17.206 0.533 3.316 1.00 0.00 C ATOM 7 CD PRO A 9 -16.769 -0.725 4.029 1.00 0.00 C ATOM 0 HA PRO A 9 -17.039 -1.398 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.703 1.027 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.318 0.882 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.849 1.420 3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.293 0.600 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.795 -0.598 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.471 -1.002 4.816 1.00 0.00 H new ATOM 17 N ILE A 10 -14.790 -2.089 0.218 1.00 0.00 N ATOM 18 CA ILE A 10 -13.465 -2.404 -0.304 1.00 0.00 C ATOM 19 C ILE A 10 -13.240 -1.746 -1.665 1.00 0.00 C ATOM 20 O ILE A 10 -14.025 -1.935 -2.598 1.00 0.00 O ATOM 21 CB ILE A 10 -13.245 -3.931 -0.417 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.803 -4.235 -0.835 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.232 -4.553 -1.396 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.212 -5.444 -0.142 1.00 0.00 C ATOM 0 H ILE A 10 -15.557 -2.541 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.740 -2.005 0.405 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.421 -4.373 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.772 -4.394 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.181 -3.365 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.056 -5.627 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.250 -4.371 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.097 -4.107 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.190 -5.598 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.210 -5.281 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.810 -6.325 -0.375 1.00 0.00 H new ATOM 36 N ARG A 11 -12.165 -0.965 -1.769 1.00 0.00 N ATOM 37 CA ARG A 11 -11.836 -0.271 -3.010 1.00 0.00 C ATOM 38 C ARG A 11 -10.541 -0.811 -3.614 1.00 0.00 C ATOM 39 O ARG A 11 -9.511 -0.878 -2.940 1.00 0.00 O ATOM 40 CB ARG A 11 -11.716 1.235 -2.757 1.00 0.00 C ATOM 41 CG ARG A 11 -13.031 1.983 -2.913 1.00 0.00 C ATOM 42 CD ARG A 11 -13.210 3.030 -1.826 1.00 0.00 C ATOM 43 NE ARG A 11 -14.593 3.104 -1.356 1.00 0.00 N ATOM 44 CZ ARG A 11 -15.572 3.741 -2.007 1.00 0.00 C ATOM 45 NH1 ARG A 11 -15.328 4.353 -3.164 1.00 0.00 N ATOM 46 NH2 ARG A 11 -16.800 3.763 -1.498 1.00 0.00 N ATOM 0 H ARG A 11 -11.508 -0.798 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.641 -0.448 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.332 1.397 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.984 1.654 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.063 2.463 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.859 1.275 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.554 2.797 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.905 4.004 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.825 2.641 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.388 4.338 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.081 4.837 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.994 3.295 -0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.548 4.248 -1.993 1.00 0.00 H new ATOM 60 N LYS A 12 -10.605 -1.200 -4.888 1.00 0.00 N ATOM 61 CA LYS A 12 -9.444 -1.741 -5.591 1.00 0.00 C ATOM 62 C LYS A 12 -8.870 -0.717 -6.569 1.00 0.00 C ATOM 63 O LYS A 12 -9.519 -0.355 -7.552 1.00 0.00 O ATOM 64 CB LYS A 12 -9.828 -3.021 -6.341 1.00 0.00 C ATOM 65 CG LYS A 12 -10.049 -4.219 -5.430 1.00 0.00 C ATOM 66 CD LYS A 12 -11.464 -4.244 -4.871 1.00 0.00 C ATOM 67 CE LYS A 12 -11.771 -5.566 -4.182 1.00 0.00 C ATOM 68 NZ LYS A 12 -12.033 -6.663 -5.159 1.00 0.00 N ATOM 0 H LYS A 12 -11.452 -1.150 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.679 -1.975 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.738 -2.838 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.043 -3.261 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.860 -5.138 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.333 -4.189 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.590 -3.426 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.178 -4.079 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.933 -5.844 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.639 -5.443 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.254 -7.540 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.838 -6.404 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.190 -6.811 -5.749 1.00 0.00 H new ATOM 82 N VAL A 13 -7.651 -0.254 -6.292 1.00 0.00 N ATOM 83 CA VAL A 13 -6.987 0.728 -7.146 1.00 0.00 C ATOM 84 C VAL A 13 -5.650 0.193 -7.659 1.00 0.00 C ATOM 85 O VAL A 13 -4.873 -0.393 -6.902 1.00 0.00 O ATOM 86 CB VAL A 13 -6.749 2.061 -6.400 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.250 3.137 -7.357 1.00 0.00 C ATOM 88 CG2 VAL A 13 -8.019 2.518 -5.695 1.00 0.00 C ATOM 0 H VAL A 13 -7.104 -0.544 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.650 0.913 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.980 1.893 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.090 4.065 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.311 2.816 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.991 3.301 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.829 3.458 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.811 2.663 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.327 1.761 -4.974 1.00 0.00 H new ATOM 98 N LEU A 14 -5.390 0.401 -8.950 1.00 0.00 N ATOM 99 CA LEU A 14 -4.150 -0.058 -9.572 1.00 0.00 C ATOM 100 C LEU A 14 -3.129 1.075 -9.648 1.00 0.00 C ATOM 101 O LEU A 14 -3.447 2.179 -10.095 1.00 0.00 O ATOM 102 CB LEU A 14 -4.430 -0.598 -10.978 1.00 0.00 C ATOM 103 CG LEU A 14 -3.875 -1.997 -11.262 1.00 0.00 C ATOM 104 CD1 LEU A 14 -4.879 -3.066 -10.855 1.00 0.00 C ATOM 105 CD2 LEU A 14 -3.513 -2.136 -12.735 1.00 0.00 C ATOM 0 H LEU A 14 -6.024 0.886 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.738 -0.857 -8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.508 -0.614 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.011 0.096 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.971 -2.135 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.465 -4.052 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.090 -2.980 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.802 -2.932 -11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.120 -3.136 -12.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.402 -1.977 -13.345 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.757 -1.395 -12.995 1.00 0.00 H new ATOM 117 N LEU A 15 -1.903 0.793 -9.208 1.00 0.00 N ATOM 118 CA LEU A 15 -0.831 1.784 -9.225 1.00 0.00 C ATOM 119 C LEU A 15 0.300 1.353 -10.155 1.00 0.00 C ATOM 120 O LEU A 15 0.672 0.178 -10.195 1.00 0.00 O ATOM 121 CB LEU A 15 -0.288 2.009 -7.811 1.00 0.00 C ATOM 122 CG LEU A 15 0.217 3.428 -7.528 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.793 4.200 -6.692 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.570 3.386 -6.829 1.00 0.00 C ATOM 0 H LEU A 15 -1.629 -0.116 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.246 2.720 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.074 1.770 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.528 1.308 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 15 0.339 3.944 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.416 5.205 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.739 4.263 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.949 3.686 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.912 4.403 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.475 2.850 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.292 2.875 -7.465 1.00 0.00 H new ATOM 136 N LEU A 16 0.842 2.314 -10.901 1.00 0.00 N ATOM 137 CA LEU A 16 1.932 2.044 -11.834 1.00 0.00 C ATOM 138 C LEU A 16 3.243 2.644 -11.327 1.00 0.00 C ATOM 139 O LEU A 16 3.378 3.865 -11.228 1.00 0.00 O ATOM 140 CB LEU A 16 1.597 2.609 -13.218 1.00 0.00 C ATOM 141 CG LEU A 16 0.359 2.001 -13.886 1.00 0.00 C ATOM 142 CD1 LEU A 16 -0.886 2.810 -13.551 1.00 0.00 C ATOM 143 CD2 LEU A 16 0.551 1.917 -15.394 1.00 0.00 C ATOM 0 H LEU A 16 0.542 3.289 -10.876 1.00 0.00 H new ATOM 0 HA LEU A 16 2.055 0.964 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.451 3.685 -13.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.455 2.458 -13.873 1.00 0.00 H new ATOM 0 HG LEU A 16 0.225 0.991 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.753 2.361 -14.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.036 2.816 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.762 3.833 -13.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.338 1.483 -15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.714 2.917 -15.796 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.415 1.291 -15.616 1.00 0.00 H new ATOM 155 N LYS A 17 4.204 1.776 -11.008 1.00 0.00 N ATOM 156 CA LYS A 17 5.506 2.215 -10.511 1.00 0.00 C ATOM 157 C LYS A 17 6.635 1.708 -11.407 1.00 0.00 C ATOM 158 O LYS A 17 6.615 0.561 -11.858 1.00 0.00 O ATOM 159 CB LYS A 17 5.719 1.727 -9.074 1.00 0.00 C ATOM 160 CG LYS A 17 6.986 2.266 -8.423 1.00 0.00 C ATOM 161 CD LYS A 17 7.703 1.191 -7.618 1.00 0.00 C ATOM 162 CE LYS A 17 7.264 1.195 -6.161 1.00 0.00 C ATOM 163 NZ LYS A 17 5.959 0.500 -5.967 1.00 0.00 N ATOM 0 H LYS A 17 4.104 0.764 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 17 5.521 3.305 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.859 2.018 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.756 0.638 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.655 2.652 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.733 3.102 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.503 0.213 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.780 1.351 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.027 0.710 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.182 2.224 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.698 0.526 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.225 0.977 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.043 -0.489 -6.277 1.00 0.00 H new ATOM 177 N GLU A 18 7.619 2.572 -11.651 1.00 0.00 N ATOM 178 CA GLU A 18 8.767 2.224 -12.486 1.00 0.00 C ATOM 179 C GLU A 18 10.031 2.083 -11.644 1.00 0.00 C ATOM 180 O GLU A 18 10.054 2.471 -10.474 1.00 0.00 O ATOM 181 CB GLU A 18 8.982 3.293 -13.559 1.00 0.00 C ATOM 182 CG GLU A 18 8.299 2.981 -14.880 1.00 0.00 C ATOM 183 CD GLU A 18 9.051 3.546 -16.071 1.00 0.00 C ATOM 184 OE1 GLU A 18 10.138 3.020 -16.391 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.557 4.520 -16.676 1.00 0.00 O ATOM 0 H GLU A 18 7.644 3.522 -11.280 1.00 0.00 H new ATOM 0 HA GLU A 18 8.559 1.267 -12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.613 4.248 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.052 3.411 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.207 1.901 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.288 3.387 -14.867 1.00 0.00 H new ATOM 192 N ASP A 19 11.084 1.532 -12.248 1.00 0.00 N ATOM 193 CA ASP A 19 12.360 1.344 -11.556 1.00 0.00 C ATOM 194 C ASP A 19 12.922 2.676 -11.056 1.00 0.00 C ATOM 195 O ASP A 19 13.514 2.742 -9.978 1.00 0.00 O ATOM 196 CB ASP A 19 13.376 0.668 -12.481 1.00 0.00 C ATOM 197 CG ASP A 19 14.195 -0.387 -11.763 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.656 -1.484 -11.506 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.376 -0.117 -11.458 1.00 0.00 O ATOM 0 H ASP A 19 11.079 1.208 -13.215 1.00 0.00 H new ATOM 0 HA ASP A 19 12.177 0.703 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.852 0.209 -13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.044 1.423 -12.897 1.00 0.00 H new ATOM 204 N HIS A 20 12.736 3.733 -11.849 1.00 0.00 N ATOM 205 CA HIS A 20 13.227 5.063 -11.489 1.00 0.00 C ATOM 206 C HIS A 20 12.368 5.704 -10.393 1.00 0.00 C ATOM 207 O HIS A 20 12.866 6.504 -9.600 1.00 0.00 O ATOM 208 CB HIS A 20 13.270 5.972 -12.725 1.00 0.00 C ATOM 209 CG HIS A 20 11.926 6.240 -13.335 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.109 7.276 -12.931 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.258 5.603 -14.327 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.997 7.262 -13.645 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.063 6.258 -14.500 1.00 0.00 N ATOM 0 H HIS A 20 12.249 3.693 -12.744 1.00 0.00 H new ATOM 0 HA HIS A 20 14.237 4.945 -11.097 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.728 6.922 -12.448 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.914 5.515 -13.477 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.601 4.741 -14.879 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.174 7.954 -13.546 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.343 6.009 -15.179 1.00 0.00 H new ATOM 222 N GLU A 21 11.078 5.358 -10.358 1.00 0.00 N ATOM 223 CA GLU A 21 10.158 5.913 -9.364 1.00 0.00 C ATOM 224 C GLU A 21 10.025 4.997 -8.144 1.00 0.00 C ATOM 225 O GLU A 21 10.440 3.836 -8.176 1.00 0.00 O ATOM 226 CB GLU A 21 8.783 6.153 -9.993 1.00 0.00 C ATOM 227 CG GLU A 21 8.630 7.537 -10.602 1.00 0.00 C ATOM 228 CD GLU A 21 8.498 8.624 -9.553 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.377 8.821 -9.039 1.00 0.00 O ATOM 230 OE2 GLU A 21 9.516 9.276 -9.244 1.00 0.00 O ATOM 0 H GLU A 21 10.649 4.697 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 21 10.571 6.863 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.609 5.403 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.015 6.012 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.493 7.749 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.751 7.551 -11.247 1.00 0.00 H new ATOM 237 N GLY A 22 9.444 5.537 -7.068 1.00 0.00 N ATOM 238 CA GLY A 22 9.263 4.768 -5.845 1.00 0.00 C ATOM 239 C GLY A 22 7.807 4.672 -5.416 1.00 0.00 C ATOM 240 O GLY A 22 6.901 4.768 -6.246 1.00 0.00 O ATOM 0 H GLY A 22 9.096 6.495 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.660 3.764 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.843 5.227 -5.044 1.00 0.00 H new ATOM 244 N LEU A 23 7.585 4.480 -4.114 1.00 0.00 N ATOM 245 CA LEU A 23 6.230 4.367 -3.569 1.00 0.00 C ATOM 246 C LEU A 23 5.503 5.713 -3.621 1.00 0.00 C ATOM 247 O LEU A 23 4.530 5.872 -4.361 1.00 0.00 O ATOM 248 CB LEU A 23 6.275 3.846 -2.125 1.00 0.00 C ATOM 249 CG LEU A 23 5.980 2.354 -1.959 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.686 1.805 -0.728 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.479 2.116 -1.866 1.00 0.00 C ATOM 0 H LEU A 23 8.326 4.399 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 23 5.678 3.656 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.263 4.052 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.557 4.410 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 23 6.358 1.827 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.465 0.743 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.762 1.943 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.337 2.335 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.286 1.050 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.078 2.654 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.997 2.473 -2.776 1.00 0.00 H new ATOM 263 N GLY A 24 5.983 6.676 -2.830 1.00 0.00 N ATOM 264 CA GLY A 24 5.370 7.997 -2.797 1.00 0.00 C ATOM 265 C GLY A 24 4.335 8.163 -1.690 1.00 0.00 C ATOM 266 O GLY A 24 3.687 9.208 -1.601 1.00 0.00 O ATOM 0 H GLY A 24 6.786 6.564 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.150 8.747 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.895 8.192 -3.759 1.00 0.00 H new ATOM 270 N ILE A 25 4.173 7.140 -0.845 1.00 0.00 N ATOM 271 CA ILE A 25 3.208 7.192 0.253 1.00 0.00 C ATOM 272 C ILE A 25 3.796 6.593 1.531 1.00 0.00 C ATOM 273 O ILE A 25 4.574 5.638 1.474 1.00 0.00 O ATOM 274 CB ILE A 25 1.901 6.441 -0.097 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.214 5.051 -0.660 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.071 7.245 -1.090 1.00 0.00 C ATOM 277 CD1 ILE A 25 0.999 4.159 -0.789 1.00 0.00 C ATOM 0 H ILE A 25 4.698 6.267 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 25 2.978 8.245 0.416 1.00 0.00 H new ATOM 0 HB ILE A 25 1.320 6.319 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.678 5.162 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.945 4.563 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.156 6.701 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.817 8.211 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.645 7.399 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.299 3.192 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.546 4.017 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.275 4.624 -1.458 1.00 0.00 H new ATOM 289 N SER A 26 3.419 7.158 2.679 1.00 0.00 N ATOM 290 CA SER A 26 3.908 6.676 3.970 1.00 0.00 C ATOM 291 C SER A 26 2.876 5.777 4.648 1.00 0.00 C ATOM 292 O SER A 26 1.674 6.047 4.599 1.00 0.00 O ATOM 293 CB SER A 26 4.258 7.855 4.880 1.00 0.00 C ATOM 294 OG SER A 26 5.363 7.547 5.710 1.00 0.00 O ATOM 0 H SER A 26 2.778 7.949 2.740 1.00 0.00 H new ATOM 0 HA SER A 26 4.807 6.087 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.488 8.731 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.396 8.111 5.496 1.00 0.00 H new ATOM 0 HG SER A 26 5.568 8.317 6.281 1.00 0.00 H new ATOM 300 N ILE A 27 3.358 4.704 5.277 1.00 0.00 N ATOM 301 CA ILE A 27 2.485 3.751 5.962 1.00 0.00 C ATOM 302 C ILE A 27 2.758 3.715 7.467 1.00 0.00 C ATOM 303 O ILE A 27 3.853 4.057 7.919 1.00 0.00 O ATOM 304 CB ILE A 27 2.643 2.326 5.385 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.125 1.956 5.249 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.940 2.220 4.038 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.357 0.529 4.798 1.00 0.00 C ATOM 0 H ILE A 27 4.350 4.473 5.326 1.00 0.00 H new ATOM 0 HA ILE A 27 1.463 4.093 5.797 1.00 0.00 H new ATOM 0 HB ILE A 27 2.179 1.622 6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.596 2.634 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.618 2.109 6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.060 1.211 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.879 2.437 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.377 2.936 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.428 0.340 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.916 -0.157 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.894 0.376 3.823 1.00 0.00 H new ATOM 319 N THR A 28 1.749 3.303 8.239 1.00 0.00 N ATOM 320 CA THR A 28 1.870 3.225 9.694 1.00 0.00 C ATOM 321 C THR A 28 1.319 1.900 10.229 1.00 0.00 C ATOM 322 O THR A 28 0.446 1.287 9.611 1.00 0.00 O ATOM 323 CB THR A 28 1.134 4.403 10.349 1.00 0.00 C ATOM 324 OG1 THR A 28 -0.269 4.193 10.342 1.00 0.00 O ATOM 325 CG2 THR A 28 1.395 5.726 9.664 1.00 0.00 C ATOM 0 H THR A 28 0.838 3.018 7.878 1.00 0.00 H new ATOM 0 HA THR A 28 2.929 3.276 9.946 1.00 0.00 H new ATOM 0 HB THR A 28 1.522 4.449 11.367 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.716 4.955 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.845 6.516 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.462 5.947 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.066 5.670 8.626 1.00 0.00 H new ATOM 333 N GLY A 29 1.832 1.471 11.386 1.00 0.00 N ATOM 334 CA GLY A 29 1.381 0.228 11.996 1.00 0.00 C ATOM 335 C GLY A 29 2.322 -0.935 11.728 1.00 0.00 C ATOM 336 O GLY A 29 3.517 -0.731 11.501 1.00 0.00 O ATOM 0 H GLY A 29 2.554 1.965 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.285 0.371 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.389 -0.018 11.617 1.00 0.00 H new ATOM 340 N GLY A 30 1.784 -2.158 11.750 1.00 0.00 N ATOM 341 CA GLY A 30 2.603 -3.334 11.500 1.00 0.00 C ATOM 342 C GLY A 30 2.085 -4.583 12.190 1.00 0.00 C ATOM 343 O GLY A 30 1.665 -4.534 13.348 1.00 0.00 O ATOM 0 H GLY A 30 0.800 -2.352 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.651 -3.514 10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.621 -3.137 11.836 1.00 0.00 H new ATOM 347 N LYS A 31 2.121 -5.709 11.472 1.00 0.00 N ATOM 348 CA LYS A 31 1.657 -6.989 12.010 1.00 0.00 C ATOM 349 C LYS A 31 2.435 -7.380 13.270 1.00 0.00 C ATOM 350 O LYS A 31 1.858 -7.927 14.211 1.00 0.00 O ATOM 351 CB LYS A 31 1.785 -8.092 10.952 1.00 0.00 C ATOM 352 CG LYS A 31 0.639 -9.093 10.964 1.00 0.00 C ATOM 353 CD LYS A 31 0.753 -10.067 12.128 1.00 0.00 C ATOM 354 CE LYS A 31 -0.341 -11.124 12.082 1.00 0.00 C ATOM 355 NZ LYS A 31 -0.487 -11.839 13.383 1.00 0.00 N ATOM 0 H LYS A 31 2.468 -5.759 10.514 1.00 0.00 H new ATOM 0 HA LYS A 31 0.608 -6.873 12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.842 -7.631 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.722 -8.626 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.309 -8.559 11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.630 -9.647 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.729 -10.551 12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.692 -9.520 13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.288 -10.653 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.115 -11.845 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.243 -12.549 13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.408 -12.311 13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.729 -11.156 14.129 1.00 0.00 H new ATOM 369 N GLU A 32 3.740 -7.094 13.287 1.00 0.00 N ATOM 370 CA GLU A 32 4.579 -7.417 14.443 1.00 0.00 C ATOM 371 C GLU A 32 4.104 -6.670 15.692 1.00 0.00 C ATOM 372 O GLU A 32 4.229 -7.173 16.808 1.00 0.00 O ATOM 373 CB GLU A 32 6.046 -7.081 14.157 1.00 0.00 C ATOM 374 CG GLU A 32 6.878 -8.291 13.759 1.00 0.00 C ATOM 375 CD GLU A 32 7.610 -8.915 14.933 1.00 0.00 C ATOM 376 OE1 GLU A 32 6.961 -9.179 15.968 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.832 -9.147 14.813 1.00 0.00 O ATOM 0 H GLU A 32 4.235 -6.642 12.518 1.00 0.00 H new ATOM 0 HA GLU A 32 4.493 -8.488 14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.092 -6.340 13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.485 -6.623 15.043 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.229 -9.038 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.603 -7.994 13.001 1.00 0.00 H new ATOM 384 N HIS A 33 3.545 -5.475 15.494 1.00 0.00 N ATOM 385 CA HIS A 33 3.037 -4.671 16.604 1.00 0.00 C ATOM 386 C HIS A 33 1.643 -5.138 17.030 1.00 0.00 C ATOM 387 O HIS A 33 1.259 -4.981 18.189 1.00 0.00 O ATOM 388 CB HIS A 33 2.986 -3.190 16.218 1.00 0.00 C ATOM 389 CG HIS A 33 4.334 -2.548 16.067 1.00 0.00 C ATOM 390 ND1 HIS A 33 5.482 -3.038 16.660 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.712 -1.437 15.389 1.00 0.00 C ATOM 392 CE1 HIS A 33 6.502 -2.255 16.353 1.00 0.00 C ATOM 393 NE2 HIS A 33 6.062 -1.278 15.583 1.00 0.00 N ATOM 0 H HIS A 33 3.433 -5.044 14.576 1.00 0.00 H new ATOM 0 HA HIS A 33 3.720 -4.799 17.444 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.441 -3.089 15.280 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.420 -2.648 16.976 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.070 -0.795 14.804 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.523 -2.392 16.678 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.632 -0.527 15.195 1.00 0.00 H new ATOM 402 N GLY A 34 0.888 -5.705 16.086 1.00 0.00 N ATOM 403 CA GLY A 34 -0.454 -6.180 16.386 1.00 0.00 C ATOM 404 C GLY A 34 -1.545 -5.300 15.794 1.00 0.00 C ATOM 405 O GLY A 34 -2.664 -5.267 16.309 1.00 0.00 O ATOM 0 H GLY A 34 1.183 -5.843 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.567 -7.195 16.005 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.582 -6.229 17.467 1.00 0.00 H new ATOM 409 N VAL A 35 -1.226 -4.592 14.708 1.00 0.00 N ATOM 410 CA VAL A 35 -2.194 -3.718 14.045 1.00 0.00 C ATOM 411 C VAL A 35 -1.940 -3.663 12.537 1.00 0.00 C ATOM 412 O VAL A 35 -0.791 -3.620 12.098 1.00 0.00 O ATOM 413 CB VAL A 35 -2.155 -2.279 14.608 1.00 0.00 C ATOM 414 CG1 VAL A 35 -2.794 -2.220 15.987 1.00 0.00 C ATOM 415 CG2 VAL A 35 -0.727 -1.754 14.653 1.00 0.00 C ATOM 0 H VAL A 35 -0.305 -4.607 14.270 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.178 -4.144 14.239 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.731 -1.639 13.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.755 -1.198 16.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.833 -2.543 15.921 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.253 -2.878 16.667 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.725 -0.740 15.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.123 -2.397 15.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.310 -1.748 13.646 1.00 0.00 H new ATOM 425 N PRO A 36 -3.013 -3.664 11.719 1.00 0.00 N ATOM 426 CA PRO A 36 -2.893 -3.612 10.254 1.00 0.00 C ATOM 427 C PRO A 36 -2.190 -2.341 9.777 1.00 0.00 C ATOM 428 O PRO A 36 -2.186 -1.325 10.475 1.00 0.00 O ATOM 429 CB PRO A 36 -4.349 -3.640 9.764 1.00 0.00 C ATOM 430 CG PRO A 36 -5.134 -4.176 10.912 1.00 0.00 C ATOM 431 CD PRO A 36 -4.421 -3.713 12.150 1.00 0.00 C ATOM 0 HA PRO A 36 -2.291 -4.435 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.690 -2.643 9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.457 -4.273 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.159 -3.807 10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.186 -5.264 10.875 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.777 -2.737 12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.565 -4.403 12.981 1.00 0.00 H new ATOM 439 N ILE A 37 -1.595 -2.406 8.586 1.00 0.00 N ATOM 440 CA ILE A 37 -0.886 -1.262 8.020 1.00 0.00 C ATOM 441 C ILE A 37 -1.852 -0.331 7.288 1.00 0.00 C ATOM 442 O ILE A 37 -2.725 -0.788 6.547 1.00 0.00 O ATOM 443 CB ILE A 37 0.228 -1.700 7.041 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.056 -2.848 7.632 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.128 -0.520 6.694 1.00 0.00 C ATOM 446 CD1 ILE A 37 2.050 -3.443 6.656 1.00 0.00 C ATOM 0 H ILE A 37 -1.591 -3.238 7.996 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.428 -0.734 8.856 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.246 -2.057 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.593 -2.484 8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.381 -3.633 7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.906 -0.846 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.534 0.265 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.588 -0.134 7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.600 -4.249 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.518 -3.838 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.748 -2.671 6.332 1.00 0.00 H new ATOM 458 N LEU A 38 -1.688 0.976 7.499 1.00 0.00 N ATOM 459 CA LEU A 38 -2.546 1.972 6.857 1.00 0.00 C ATOM 460 C LEU A 38 -1.734 3.179 6.376 1.00 0.00 C ATOM 461 O LEU A 38 -0.669 3.478 6.918 1.00 0.00 O ATOM 462 CB LEU A 38 -3.652 2.431 7.817 1.00 0.00 C ATOM 463 CG LEU A 38 -3.181 2.875 9.206 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.895 4.150 9.628 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.415 1.769 10.227 1.00 0.00 C ATOM 0 H LEU A 38 -0.970 1.369 8.108 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.005 1.501 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.190 3.258 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.365 1.615 7.938 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.111 3.079 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.548 4.451 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.679 4.942 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.970 3.972 9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.075 2.101 11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.479 1.535 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.859 0.879 9.933 1.00 0.00 H new ATOM 477 N ILE A 39 -2.253 3.871 5.358 1.00 0.00 N ATOM 478 CA ILE A 39 -1.588 5.050 4.802 1.00 0.00 C ATOM 479 C ILE A 39 -1.927 6.296 5.615 1.00 0.00 C ATOM 480 O ILE A 39 -3.095 6.687 5.703 1.00 0.00 O ATOM 481 CB ILE A 39 -1.989 5.298 3.328 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.951 3.995 2.523 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.076 6.340 2.694 1.00 0.00 C ATOM 484 CD1 ILE A 39 -0.564 3.404 2.386 1.00 0.00 C ATOM 0 H ILE A 39 -3.134 3.633 4.902 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.517 4.854 4.847 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.011 5.676 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.602 3.264 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.357 4.181 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.373 6.502 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.156 7.277 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.045 5.988 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.616 2.484 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.087 4.117 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.162 3.185 3.375 1.00 0.00 H new ATOM 496 N SER A 40 -0.903 6.914 6.206 1.00 0.00 N ATOM 497 CA SER A 40 -1.093 8.119 7.013 1.00 0.00 C ATOM 498 C SER A 40 -0.555 9.368 6.303 1.00 0.00 C ATOM 499 O SER A 40 -1.049 10.472 6.533 1.00 0.00 O ATOM 500 CB SER A 40 -0.411 7.957 8.373 1.00 0.00 C ATOM 501 OG SER A 40 -0.714 9.043 9.233 1.00 0.00 O ATOM 0 H SER A 40 0.065 6.600 6.141 1.00 0.00 H new ATOM 0 HA SER A 40 -2.165 8.253 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.733 7.024 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.668 7.889 8.235 1.00 0.00 H new ATOM 0 HG SER A 40 -0.266 8.912 10.095 1.00 0.00 H new ATOM 507 N GLU A 41 0.459 9.196 5.448 1.00 0.00 N ATOM 508 CA GLU A 41 1.042 10.325 4.725 1.00 0.00 C ATOM 509 C GLU A 41 1.021 10.085 3.216 1.00 0.00 C ATOM 510 O GLU A 41 1.202 8.956 2.755 1.00 0.00 O ATOM 511 CB GLU A 41 2.480 10.571 5.192 1.00 0.00 C ATOM 512 CG GLU A 41 2.773 12.020 5.556 1.00 0.00 C ATOM 513 CD GLU A 41 2.809 12.252 7.055 1.00 0.00 C ATOM 514 OE1 GLU A 41 3.615 11.588 7.741 1.00 0.00 O ATOM 515 OE2 GLU A 41 2.033 13.101 7.543 1.00 0.00 O ATOM 0 H GLU A 41 0.888 8.294 5.243 1.00 0.00 H new ATOM 0 HA GLU A 41 0.438 11.207 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.683 9.941 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.166 10.259 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.730 12.312 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.013 12.663 5.111 1.00 0.00 H new ATOM 522 N ILE A 42 0.807 11.160 2.454 1.00 0.00 N ATOM 523 CA ILE A 42 0.769 11.084 0.994 1.00 0.00 C ATOM 524 C ILE A 42 1.697 12.133 0.382 1.00 0.00 C ATOM 525 O ILE A 42 1.440 13.334 0.485 1.00 0.00 O ATOM 526 CB ILE A 42 -0.662 11.299 0.444 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.671 10.401 1.172 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.702 11.045 -1.058 1.00 0.00 C ATOM 529 CD1 ILE A 42 -1.492 8.922 0.898 1.00 0.00 C ATOM 0 H ILE A 42 0.657 12.097 2.827 1.00 0.00 H new ATOM 0 HA ILE A 42 1.101 10.083 0.717 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.942 12.337 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.587 10.574 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.679 10.694 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.716 11.201 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.023 11.733 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.396 10.019 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.243 8.356 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.606 8.733 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.497 8.611 1.217 1.00 0.00 H new ATOM 541 N HIS A 43 2.776 11.677 -0.253 1.00 0.00 N ATOM 542 CA HIS A 43 3.736 12.587 -0.874 1.00 0.00 C ATOM 543 C HIS A 43 3.319 12.936 -2.302 1.00 0.00 C ATOM 544 O HIS A 43 3.004 12.050 -3.098 1.00 0.00 O ATOM 545 CB HIS A 43 5.140 11.974 -0.873 1.00 0.00 C ATOM 546 CG HIS A 43 5.802 11.983 0.473 1.00 0.00 C ATOM 547 ND1 HIS A 43 5.957 13.127 1.229 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.356 10.980 1.195 1.00 0.00 C ATOM 549 CE1 HIS A 43 6.579 12.827 2.355 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.831 11.531 2.360 1.00 0.00 N ATOM 0 H HIS A 43 3.006 10.688 -0.350 1.00 0.00 H new ATOM 0 HA HIS A 43 3.751 13.505 -0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.078 10.946 -1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.766 12.520 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.414 9.940 0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.838 13.524 3.139 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.302 11.022 3.108 1.00 0.00 H new ATOM 559 N PRO A 44 3.316 14.242 -2.644 1.00 0.00 N ATOM 560 CA PRO A 44 2.938 14.714 -3.982 1.00 0.00 C ATOM 561 C PRO A 44 4.030 14.463 -5.022 1.00 0.00 C ATOM 562 O PRO A 44 5.137 14.037 -4.684 1.00 0.00 O ATOM 563 CB PRO A 44 2.731 16.214 -3.776 1.00 0.00 C ATOM 564 CG PRO A 44 3.638 16.568 -2.650 1.00 0.00 C ATOM 565 CD PRO A 44 3.681 15.361 -1.749 1.00 0.00 C ATOM 0 HA PRO A 44 2.060 14.194 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.979 16.776 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.693 16.441 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.634 16.816 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.269 17.442 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.671 15.220 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.980 15.455 -0.920 1.00 0.00 H new ATOM 573 N GLY A 45 3.706 14.727 -6.289 1.00 0.00 N ATOM 574 CA GLY A 45 4.663 14.522 -7.368 1.00 0.00 C ATOM 575 C GLY A 45 5.059 13.062 -7.524 1.00 0.00 C ATOM 576 O GLY A 45 6.178 12.756 -7.938 1.00 0.00 O ATOM 0 H GLY A 45 2.797 15.080 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.234 14.881 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.555 15.119 -7.177 1.00 0.00 H new ATOM 580 N GLN A 46 4.134 12.163 -7.190 1.00 0.00 N ATOM 581 CA GLN A 46 4.373 10.728 -7.287 1.00 0.00 C ATOM 582 C GLN A 46 3.155 10.023 -7.885 1.00 0.00 C ATOM 583 O GLN A 46 2.088 10.627 -8.014 1.00 0.00 O ATOM 584 CB GLN A 46 4.681 10.158 -5.899 1.00 0.00 C ATOM 585 CG GLN A 46 6.155 9.859 -5.680 1.00 0.00 C ATOM 586 CD GLN A 46 6.867 10.953 -4.908 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.785 11.591 -5.422 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.447 11.178 -3.668 1.00 0.00 N ATOM 0 H GLN A 46 3.205 12.409 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 46 5.228 10.558 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.346 10.866 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.107 9.242 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.254 8.917 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.642 9.726 -6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.682 10.626 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.889 11.903 -3.103 1.00 0.00 H new ATOM 597 N PRO A 47 3.290 8.730 -8.252 1.00 0.00 N ATOM 598 CA PRO A 47 2.187 7.947 -8.828 1.00 0.00 C ATOM 599 C PRO A 47 0.923 7.980 -7.964 1.00 0.00 C ATOM 600 O PRO A 47 -0.187 7.832 -8.477 1.00 0.00 O ATOM 601 CB PRO A 47 2.741 6.514 -8.901 1.00 0.00 C ATOM 602 CG PRO A 47 3.989 6.520 -8.083 1.00 0.00 C ATOM 603 CD PRO A 47 4.515 7.925 -8.132 1.00 0.00 C ATOM 0 HA PRO A 47 1.884 8.349 -9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.020 5.796 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.950 6.227 -9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.783 6.217 -7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.720 5.817 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.078 8.177 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.183 8.077 -8.980 1.00 0.00 H new ATOM 611 N ALA A 48 1.100 8.178 -6.653 1.00 0.00 N ATOM 612 CA ALA A 48 -0.028 8.235 -5.726 1.00 0.00 C ATOM 613 C ALA A 48 -0.987 9.365 -6.097 1.00 0.00 C ATOM 614 O ALA A 48 -2.202 9.168 -6.145 1.00 0.00 O ATOM 615 CB ALA A 48 0.470 8.413 -4.297 1.00 0.00 C ATOM 0 H ALA A 48 2.012 8.301 -6.214 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.571 7.293 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.381 8.454 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.110 7.573 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.038 9.340 -4.223 1.00 0.00 H new ATOM 621 N ASP A 49 -0.432 10.545 -6.372 1.00 0.00 N ATOM 622 CA ASP A 49 -1.240 11.703 -6.752 1.00 0.00 C ATOM 623 C ASP A 49 -1.880 11.486 -8.120 1.00 0.00 C ATOM 624 O ASP A 49 -3.042 11.834 -8.333 1.00 0.00 O ATOM 625 CB ASP A 49 -0.384 12.972 -6.771 1.00 0.00 C ATOM 626 CG ASP A 49 -1.204 14.217 -7.053 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.778 14.778 -6.096 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.274 14.628 -8.230 1.00 0.00 O ATOM 0 H ASP A 49 0.572 10.724 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.030 11.823 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.120 13.082 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.393 12.872 -7.529 1.00 0.00 H new ATOM 633 N ARG A 50 -1.112 10.904 -9.043 1.00 0.00 N ATOM 634 CA ARG A 50 -1.599 10.632 -10.395 1.00 0.00 C ATOM 635 C ARG A 50 -2.834 9.729 -10.371 1.00 0.00 C ATOM 636 O ARG A 50 -3.715 9.854 -11.221 1.00 0.00 O ATOM 637 CB ARG A 50 -0.498 9.982 -11.237 1.00 0.00 C ATOM 638 CG ARG A 50 0.715 10.875 -11.457 1.00 0.00 C ATOM 639 CD ARG A 50 1.481 10.483 -12.712 1.00 0.00 C ATOM 640 NE ARG A 50 2.513 9.480 -12.440 1.00 0.00 N ATOM 641 CZ ARG A 50 3.306 8.954 -13.377 1.00 0.00 C ATOM 642 NH1 ARG A 50 3.196 9.335 -14.646 1.00 0.00 N ATOM 643 NH2 ARG A 50 4.215 8.044 -13.042 1.00 0.00 N ATOM 0 H ARG A 50 -0.149 10.612 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.881 11.585 -10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.176 9.062 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.912 9.702 -12.206 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.393 11.913 -11.536 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.376 10.811 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.784 10.093 -13.454 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.944 11.370 -13.145 1.00 0.00 H new ATOM 0 HE ARG A 50 2.633 9.164 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.502 10.034 -14.910 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.806 8.928 -15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.306 7.748 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.821 7.642 -13.757 1.00 0.00 H new ATOM 657 N CYS A 51 -2.894 8.818 -9.395 1.00 0.00 N ATOM 658 CA CYS A 51 -4.028 7.903 -9.273 1.00 0.00 C ATOM 659 C CYS A 51 -5.224 8.574 -8.589 1.00 0.00 C ATOM 660 O CYS A 51 -6.372 8.207 -8.845 1.00 0.00 O ATOM 661 CB CYS A 51 -3.622 6.652 -8.487 1.00 0.00 C ATOM 662 SG CYS A 51 -3.107 5.264 -9.524 1.00 0.00 S ATOM 0 H CYS A 51 -2.174 8.696 -8.683 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.328 7.618 -10.282 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.806 6.909 -7.811 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.462 6.337 -7.867 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.738 4.189 -9.155 1.00 0.00 H new ATOM 668 N GLY A 52 -4.957 9.557 -7.722 1.00 0.00 N ATOM 669 CA GLY A 52 -6.034 10.255 -7.026 1.00 0.00 C ATOM 670 C GLY A 52 -6.566 9.488 -5.822 1.00 0.00 C ATOM 671 O GLY A 52 -6.660 10.038 -4.724 1.00 0.00 O ATOM 0 H GLY A 52 -4.018 9.881 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.674 11.230 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.852 10.436 -7.724 1.00 0.00 H new ATOM 675 N GLY A 53 -6.922 8.216 -6.032 1.00 0.00 N ATOM 676 CA GLY A 53 -7.453 7.384 -4.957 1.00 0.00 C ATOM 677 C GLY A 53 -6.563 7.336 -3.719 1.00 0.00 C ATOM 678 O GLY A 53 -7.051 7.073 -2.620 1.00 0.00 O ATOM 0 H GLY A 53 -6.851 7.745 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.436 7.759 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.594 6.370 -5.331 1.00 0.00 H new ATOM 682 N LEU A 54 -5.262 7.588 -3.893 1.00 0.00 N ATOM 683 CA LEU A 54 -4.319 7.574 -2.774 1.00 0.00 C ATOM 684 C LEU A 54 -4.636 8.697 -1.784 1.00 0.00 C ATOM 685 O LEU A 54 -4.129 9.815 -1.909 1.00 0.00 O ATOM 686 CB LEU A 54 -2.876 7.705 -3.283 1.00 0.00 C ATOM 687 CG LEU A 54 -2.157 6.382 -3.570 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.930 5.606 -2.282 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.944 5.548 -4.571 1.00 0.00 C ATOM 0 H LEU A 54 -4.840 7.803 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.420 6.620 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.884 8.300 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.297 8.261 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.185 6.609 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.418 4.670 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.319 6.200 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.890 5.391 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.416 4.613 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.932 5.331 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.048 6.102 -5.504 1.00 0.00 H new ATOM 701 N HIS A 55 -5.493 8.389 -0.808 1.00 0.00 N ATOM 702 CA HIS A 55 -5.902 9.360 0.205 1.00 0.00 C ATOM 703 C HIS A 55 -5.408 8.957 1.593 1.00 0.00 C ATOM 704 O HIS A 55 -5.141 7.782 1.852 1.00 0.00 O ATOM 705 CB HIS A 55 -7.431 9.503 0.220 1.00 0.00 C ATOM 706 CG HIS A 55 -8.165 8.203 0.399 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.000 7.386 1.501 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.066 7.574 -0.396 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.761 6.315 1.373 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.417 6.405 0.232 1.00 0.00 N ATOM 0 H HIS A 55 -5.919 7.468 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.452 10.318 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.714 10.182 1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.752 9.964 -0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.438 7.927 -1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.834 5.503 2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.079 5.716 -0.126 1.00 0.00 H new ATOM 719 N VAL A 56 -5.301 9.939 2.485 1.00 0.00 N ATOM 720 CA VAL A 56 -4.854 9.685 3.852 1.00 0.00 C ATOM 721 C VAL A 56 -5.943 8.965 4.652 1.00 0.00 C ATOM 722 O VAL A 56 -7.121 9.319 4.568 1.00 0.00 O ATOM 723 CB VAL A 56 -4.472 10.995 4.580 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.908 10.703 5.964 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.477 11.803 3.756 1.00 0.00 C ATOM 0 H VAL A 56 -5.517 10.916 2.286 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.969 9.052 3.786 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.378 11.589 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.647 11.640 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.656 10.178 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.017 10.082 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.223 12.720 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.574 11.214 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.921 12.054 2.793 1.00 0.00 H new ATOM 735 N GLY A 57 -5.540 7.954 5.423 1.00 0.00 N ATOM 736 CA GLY A 57 -6.488 7.196 6.227 1.00 0.00 C ATOM 737 C GLY A 57 -7.006 5.953 5.517 1.00 0.00 C ATOM 738 O GLY A 57 -8.193 5.631 5.610 1.00 0.00 O ATOM 0 H GLY A 57 -4.571 7.646 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.010 6.902 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.330 7.837 6.487 1.00 0.00 H new ATOM 742 N ASP A 58 -6.114 5.252 4.810 1.00 0.00 N ATOM 743 CA ASP A 58 -6.490 4.037 4.084 1.00 0.00 C ATOM 744 C ASP A 58 -5.846 2.801 4.714 1.00 0.00 C ATOM 745 O ASP A 58 -4.658 2.814 5.034 1.00 0.00 O ATOM 746 CB ASP A 58 -6.072 4.147 2.612 1.00 0.00 C ATOM 747 CG ASP A 58 -7.146 3.669 1.645 1.00 0.00 C ATOM 748 OD1 ASP A 58 -8.044 2.907 2.069 1.00 0.00 O ATOM 749 OD2 ASP A 58 -7.086 4.058 0.458 1.00 0.00 O ATOM 0 H ASP A 58 -5.129 5.505 4.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.573 3.931 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.826 5.185 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.165 3.564 2.454 1.00 0.00 H new ATOM 754 N ALA A 59 -6.631 1.734 4.883 1.00 0.00 N ATOM 755 CA ALA A 59 -6.123 0.493 5.475 1.00 0.00 C ATOM 756 C ALA A 59 -5.857 -0.567 4.406 1.00 0.00 C ATOM 757 O ALA A 59 -6.751 -0.923 3.638 1.00 0.00 O ATOM 758 CB ALA A 59 -7.099 -0.038 6.517 1.00 0.00 C ATOM 0 H ALA A 59 -7.616 1.704 4.620 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.175 0.721 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.707 -0.960 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.229 0.703 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.061 -0.238 6.046 1.00 0.00 H new ATOM 764 N ILE A 60 -4.621 -1.072 4.366 1.00 0.00 N ATOM 765 CA ILE A 60 -4.231 -2.096 3.391 1.00 0.00 C ATOM 766 C ILE A 60 -4.691 -3.490 3.827 1.00 0.00 C ATOM 767 O ILE A 60 -4.797 -3.774 5.021 1.00 0.00 O ATOM 768 CB ILE A 60 -2.699 -2.129 3.179 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.148 -0.720 2.939 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.342 -3.043 2.014 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.920 -0.407 3.766 1.00 0.00 C ATOM 0 H ILE A 60 -3.872 -0.789 4.998 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.720 -1.827 2.455 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.241 -2.523 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.904 -0.608 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.925 0.010 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.260 -3.055 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.692 -4.054 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.817 -2.676 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.582 0.606 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.165 -0.487 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.127 -1.114 3.522 1.00 0.00 H new ATOM 783 N LEU A 61 -4.952 -4.358 2.844 1.00 0.00 N ATOM 784 CA LEU A 61 -5.387 -5.727 3.119 1.00 0.00 C ATOM 785 C LEU A 61 -4.658 -6.735 2.223 1.00 0.00 C ATOM 786 O LEU A 61 -4.117 -7.726 2.714 1.00 0.00 O ATOM 787 CB LEU A 61 -6.901 -5.860 2.930 1.00 0.00 C ATOM 788 CG LEU A 61 -7.741 -5.541 4.171 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.226 -5.660 3.857 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.365 -6.460 5.326 1.00 0.00 C ATOM 0 H LEU A 61 -4.869 -4.135 1.852 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.137 -5.949 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.210 -5.198 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.124 -6.878 2.611 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.533 -4.513 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.806 -5.430 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.487 -4.959 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.449 -6.676 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.973 -6.217 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.541 -7.497 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.311 -6.325 5.570 1.00 0.00 H new ATOM 802 N ALA A 62 -4.649 -6.481 0.910 1.00 0.00 N ATOM 803 CA ALA A 62 -3.985 -7.373 -0.042 1.00 0.00 C ATOM 804 C ALA A 62 -3.330 -6.590 -1.179 1.00 0.00 C ATOM 805 O ALA A 62 -3.841 -5.554 -1.607 1.00 0.00 O ATOM 806 CB ALA A 62 -4.977 -8.385 -0.599 1.00 0.00 C ATOM 0 H ALA A 62 -5.093 -5.667 0.485 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.198 -7.905 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.469 -9.042 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.388 -8.979 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.785 -7.860 -1.108 1.00 0.00 H new ATOM 812 N VAL A 63 -2.194 -7.094 -1.666 1.00 0.00 N ATOM 813 CA VAL A 63 -1.465 -6.447 -2.754 1.00 0.00 C ATOM 814 C VAL A 63 -1.015 -7.474 -3.790 1.00 0.00 C ATOM 815 O VAL A 63 -0.211 -8.358 -3.490 1.00 0.00 O ATOM 816 CB VAL A 63 -0.230 -5.678 -2.236 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.413 -4.874 -3.360 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.612 -4.775 -1.071 1.00 0.00 C ATOM 0 H VAL A 63 -1.760 -7.950 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.150 -5.736 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 63 0.502 -6.402 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.281 -4.340 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.727 -5.549 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.308 -4.158 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.271 -4.241 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.364 -4.057 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.017 -5.380 -0.260 1.00 0.00 H new ATOM 828 N ASN A 64 -1.546 -7.350 -5.008 1.00 0.00 N ATOM 829 CA ASN A 64 -1.214 -8.265 -6.100 1.00 0.00 C ATOM 830 C ASN A 64 -1.524 -9.715 -5.711 1.00 0.00 C ATOM 831 O ASN A 64 -0.816 -10.642 -6.110 1.00 0.00 O ATOM 832 CB ASN A 64 0.263 -8.118 -6.493 1.00 0.00 C ATOM 833 CG ASN A 64 0.481 -8.250 -7.992 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.011 -9.201 -8.615 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.200 -7.295 -8.582 1.00 0.00 N ATOM 0 H ASN A 64 -2.211 -6.620 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.830 -8.005 -6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.630 -7.147 -6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.851 -8.876 -5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.378 -7.337 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.572 -6.522 -8.030 1.00 0.00 H new ATOM 842 N GLY A 65 -2.589 -9.903 -4.924 1.00 0.00 N ATOM 843 CA GLY A 65 -2.973 -11.238 -4.491 1.00 0.00 C ATOM 844 C GLY A 65 -2.353 -11.642 -3.155 1.00 0.00 C ATOM 845 O GLY A 65 -2.849 -12.555 -2.492 1.00 0.00 O ATOM 0 H GLY A 65 -3.190 -9.154 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.059 -11.288 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.677 -11.959 -5.253 1.00 0.00 H new ATOM 849 N VAL A 66 -1.271 -10.965 -2.757 1.00 0.00 N ATOM 850 CA VAL A 66 -0.595 -11.266 -1.496 1.00 0.00 C ATOM 851 C VAL A 66 -1.328 -10.629 -0.316 1.00 0.00 C ATOM 852 O VAL A 66 -1.741 -9.471 -0.385 1.00 0.00 O ATOM 853 CB VAL A 66 0.870 -10.776 -1.516 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.627 -11.277 -0.293 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.563 -11.221 -2.798 1.00 0.00 C ATOM 0 H VAL A 66 -0.847 -10.206 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.602 -12.349 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 66 0.866 -9.686 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.656 -10.919 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.145 -10.904 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.622 -12.367 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.594 -10.867 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.553 -12.309 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.039 -10.805 -3.658 1.00 0.00 H new ATOM 865 N ASN A 67 -1.489 -11.396 0.764 1.00 0.00 N ATOM 866 CA ASN A 67 -2.178 -10.908 1.957 1.00 0.00 C ATOM 867 C ASN A 67 -1.254 -10.050 2.816 1.00 0.00 C ATOM 868 O ASN A 67 -0.088 -10.390 3.025 1.00 0.00 O ATOM 869 CB ASN A 67 -2.724 -12.080 2.787 1.00 0.00 C ATOM 870 CG ASN A 67 -4.057 -11.759 3.446 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.597 -10.665 3.283 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.596 -12.714 4.199 1.00 0.00 N ATOM 0 H ASN A 67 -1.152 -12.356 0.836 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.012 -10.290 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.842 -12.952 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.998 -12.346 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.488 -12.553 4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.117 -13.608 4.309 1.00 0.00 H new ATOM 879 N LEU A 68 -1.790 -8.937 3.316 1.00 0.00 N ATOM 880 CA LEU A 68 -1.026 -8.021 4.161 1.00 0.00 C ATOM 881 C LEU A 68 -1.098 -8.440 5.630 1.00 0.00 C ATOM 882 O LEU A 68 -0.142 -8.247 6.382 1.00 0.00 O ATOM 883 CB LEU A 68 -1.543 -6.587 3.999 1.00 0.00 C ATOM 884 CG LEU A 68 -0.705 -5.506 4.695 1.00 0.00 C ATOM 885 CD1 LEU A 68 0.112 -4.718 3.679 1.00 0.00 C ATOM 886 CD2 LEU A 68 -1.600 -4.574 5.504 1.00 0.00 C ATOM 0 H LEU A 68 -2.754 -8.648 3.149 1.00 0.00 H new ATOM 0 HA LEU A 68 0.016 -8.061 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.595 -6.355 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.561 -6.539 4.385 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.013 -5.998 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.698 -3.957 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.782 -5.394 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.559 -4.238 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.989 -3.814 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.318 -4.092 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.134 -5.149 6.261 1.00 0.00 H new ATOM 898 N ARG A 69 -2.235 -9.012 6.035 1.00 0.00 N ATOM 899 CA ARG A 69 -2.422 -9.456 7.419 1.00 0.00 C ATOM 900 C ARG A 69 -1.505 -10.636 7.757 1.00 0.00 C ATOM 901 O ARG A 69 -1.132 -10.822 8.916 1.00 0.00 O ATOM 902 CB ARG A 69 -3.885 -9.842 7.672 1.00 0.00 C ATOM 903 CG ARG A 69 -4.411 -9.378 9.023 1.00 0.00 C ATOM 904 CD ARG A 69 -5.912 -9.604 9.147 1.00 0.00 C ATOM 905 NE ARG A 69 -6.337 -9.764 10.541 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.493 -10.325 10.913 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.350 -10.777 10.000 1.00 0.00 N ATOM 908 NH2 ARG A 69 -7.794 -10.432 12.203 1.00 0.00 N ATOM 0 H ARG A 69 -3.037 -9.178 5.427 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.158 -8.621 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.506 -9.417 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.983 -10.926 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.895 -9.914 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.190 -8.319 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.442 -8.762 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.192 -10.492 8.580 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.712 -9.426 11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.127 -10.697 9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.229 -11.203 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.144 -10.086 12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.675 -10.860 12.487 1.00 0.00 H new ATOM 922 N ASP A 70 -1.143 -11.431 6.745 1.00 0.00 N ATOM 923 CA ASP A 70 -0.269 -12.588 6.953 1.00 0.00 C ATOM 924 C ASP A 70 1.217 -12.221 6.811 1.00 0.00 C ATOM 925 O ASP A 70 2.076 -13.105 6.779 1.00 0.00 O ATOM 926 CB ASP A 70 -0.624 -13.706 5.963 1.00 0.00 C ATOM 927 CG ASP A 70 -2.064 -14.180 6.088 1.00 0.00 C ATOM 928 OD1 ASP A 70 -2.647 -14.054 7.187 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.609 -14.677 5.081 1.00 0.00 O ATOM 0 H ASP A 70 -1.440 -11.295 5.779 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.430 -12.936 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.452 -13.351 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.045 -14.551 6.123 1.00 0.00 H new ATOM 934 N THR A 71 1.519 -10.920 6.733 1.00 0.00 N ATOM 935 CA THR A 71 2.900 -10.459 6.600 1.00 0.00 C ATOM 936 C THR A 71 3.185 -9.302 7.558 1.00 0.00 C ATOM 937 O THR A 71 2.274 -8.571 7.953 1.00 0.00 O ATOM 938 CB THR A 71 3.186 -10.037 5.152 1.00 0.00 C ATOM 939 OG1 THR A 71 4.500 -9.521 5.028 1.00 0.00 O ATOM 940 CG2 THR A 71 2.234 -8.986 4.626 1.00 0.00 C ATOM 0 H THR A 71 0.826 -10.172 6.760 1.00 0.00 H new ATOM 0 HA THR A 71 3.560 -11.286 6.861 1.00 0.00 H new ATOM 0 HB THR A 71 3.057 -10.945 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.492 -8.747 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.498 -8.738 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.215 -9.371 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.303 -8.091 5.244 1.00 0.00 H new ATOM 948 N LYS A 72 4.456 -9.142 7.925 1.00 0.00 N ATOM 949 CA LYS A 72 4.871 -8.077 8.836 1.00 0.00 C ATOM 950 C LYS A 72 5.099 -6.770 8.077 1.00 0.00 C ATOM 951 O LYS A 72 5.273 -6.777 6.860 1.00 0.00 O ATOM 952 CB LYS A 72 6.151 -8.484 9.574 1.00 0.00 C ATOM 953 CG LYS A 72 5.904 -9.360 10.795 1.00 0.00 C ATOM 954 CD LYS A 72 5.668 -10.815 10.411 1.00 0.00 C ATOM 955 CE LYS A 72 6.971 -11.600 10.352 1.00 0.00 C ATOM 956 NZ LYS A 72 6.781 -13.036 10.709 1.00 0.00 N ATOM 0 H LYS A 72 5.218 -9.739 7.604 1.00 0.00 H new ATOM 0 HA LYS A 72 4.074 -7.919 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.804 -9.016 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.682 -7.584 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.760 -9.296 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.040 -8.984 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.997 -11.278 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.172 -10.860 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.390 -11.529 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.695 -11.151 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.694 -13.531 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.405 -13.106 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.111 -13.473 10.045 1.00 0.00 H new ATOM 970 N HIS A 73 5.098 -5.650 8.804 1.00 0.00 N ATOM 971 CA HIS A 73 5.310 -4.333 8.195 1.00 0.00 C ATOM 972 C HIS A 73 6.602 -4.308 7.380 1.00 0.00 C ATOM 973 O HIS A 73 6.597 -3.916 6.212 1.00 0.00 O ATOM 974 CB HIS A 73 5.351 -3.247 9.276 1.00 0.00 C ATOM 975 CG HIS A 73 5.247 -1.850 8.742 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.341 -1.107 8.348 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.169 -1.054 8.552 1.00 0.00 C ATOM 978 CE1 HIS A 73 5.939 0.084 7.942 1.00 0.00 C ATOM 979 NE2 HIS A 73 4.625 0.142 8.054 1.00 0.00 N ATOM 0 H HIS A 73 4.953 -5.628 9.813 1.00 0.00 H new ATOM 0 HA HIS A 73 4.476 -4.134 7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.536 -3.418 9.979 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.281 -3.342 9.837 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.309 -1.427 8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.140 -1.312 8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.577 0.876 7.580 1.00 0.00 H new ATOM 988 N LYS A 74 7.705 -4.732 8.002 1.00 0.00 N ATOM 989 CA LYS A 74 9.006 -4.763 7.332 1.00 0.00 C ATOM 990 C LYS A 74 8.976 -5.692 6.118 1.00 0.00 C ATOM 991 O LYS A 74 9.514 -5.360 5.062 1.00 0.00 O ATOM 992 CB LYS A 74 10.107 -5.208 8.304 1.00 0.00 C ATOM 993 CG LYS A 74 9.847 -6.556 8.962 1.00 0.00 C ATOM 994 CD LYS A 74 10.960 -6.928 9.927 1.00 0.00 C ATOM 995 CE LYS A 74 10.426 -7.694 11.127 1.00 0.00 C ATOM 996 NZ LYS A 74 11.444 -8.621 11.692 1.00 0.00 N ATOM 0 H LYS A 74 7.722 -5.058 8.968 1.00 0.00 H new ATOM 0 HA LYS A 74 9.226 -3.752 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.054 -5.255 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.218 -4.452 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.897 -6.525 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.757 -7.325 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.704 -7.534 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.465 -6.024 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.110 -6.989 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.543 -8.261 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.041 -9.124 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.727 -9.310 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.277 -8.078 11.997 1.00 0.00 H new ATOM 1010 N GLU A 75 8.338 -6.853 6.277 1.00 0.00 N ATOM 1011 CA GLU A 75 8.233 -7.826 5.192 1.00 0.00 C ATOM 1012 C GLU A 75 7.354 -7.292 4.062 1.00 0.00 C ATOM 1013 O GLU A 75 7.646 -7.510 2.886 1.00 0.00 O ATOM 1014 CB GLU A 75 7.667 -9.151 5.710 1.00 0.00 C ATOM 1015 CG GLU A 75 8.588 -10.336 5.477 1.00 0.00 C ATOM 1016 CD GLU A 75 8.215 -11.130 4.240 1.00 0.00 C ATOM 1017 OE1 GLU A 75 8.242 -10.553 3.132 1.00 0.00 O ATOM 1018 OE2 GLU A 75 7.894 -12.329 4.380 1.00 0.00 O ATOM 0 H GLU A 75 7.887 -7.141 7.146 1.00 0.00 H new ATOM 0 HA GLU A 75 9.235 -7.998 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.469 -9.060 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.711 -9.343 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.614 -9.981 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.558 -10.991 6.348 1.00 0.00 H new ATOM 1025 N ALA A 76 6.278 -6.594 4.425 1.00 0.00 N ATOM 1026 CA ALA A 76 5.360 -6.032 3.439 1.00 0.00 C ATOM 1027 C ALA A 76 6.052 -4.986 2.568 1.00 0.00 C ATOM 1028 O ALA A 76 5.745 -4.860 1.384 1.00 0.00 O ATOM 1029 CB ALA A 76 4.146 -5.426 4.127 1.00 0.00 C ATOM 0 H ALA A 76 6.022 -6.405 5.394 1.00 0.00 H new ATOM 0 HA ALA A 76 5.030 -6.844 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.472 -5.012 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.627 -6.198 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.468 -4.634 4.803 1.00 0.00 H new ATOM 1035 N VAL A 77 6.997 -4.246 3.154 1.00 0.00 N ATOM 1036 CA VAL A 77 7.732 -3.225 2.411 1.00 0.00 C ATOM 1037 C VAL A 77 8.516 -3.865 1.268 1.00 0.00 C ATOM 1038 O VAL A 77 8.521 -3.357 0.145 1.00 0.00 O ATOM 1039 CB VAL A 77 8.703 -2.432 3.317 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.321 -1.272 2.547 1.00 0.00 C ATOM 1041 CG2 VAL A 77 7.986 -1.930 4.564 1.00 0.00 C ATOM 0 H VAL A 77 7.268 -4.335 4.133 1.00 0.00 H new ATOM 0 HA VAL A 77 6.996 -2.527 2.012 1.00 0.00 H new ATOM 0 HB VAL A 77 9.504 -3.101 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.002 -0.724 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.872 -1.657 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.532 -0.603 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.687 -1.375 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.163 -1.277 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.594 -2.779 5.125 1.00 0.00 H new ATOM 1051 N THR A 78 9.162 -4.993 1.559 1.00 0.00 N ATOM 1052 CA THR A 78 9.934 -5.715 0.555 1.00 0.00 C ATOM 1053 C THR A 78 9.016 -6.252 -0.544 1.00 0.00 C ATOM 1054 O THR A 78 9.300 -6.093 -1.734 1.00 0.00 O ATOM 1055 CB THR A 78 10.717 -6.869 1.200 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.057 -6.563 2.543 1.00 0.00 O ATOM 1057 CG2 THR A 78 12.002 -7.206 0.472 1.00 0.00 C ATOM 0 H THR A 78 9.165 -5.425 2.483 1.00 0.00 H new ATOM 0 HA THR A 78 10.645 -5.020 0.108 1.00 0.00 H new ATOM 0 HB THR A 78 10.049 -7.729 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.553 -7.312 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.504 -8.029 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.774 -7.499 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.655 -6.333 0.463 1.00 0.00 H new ATOM 1065 N ILE A 79 7.912 -6.884 -0.138 1.00 0.00 N ATOM 1066 CA ILE A 79 6.956 -7.440 -1.096 1.00 0.00 C ATOM 1067 C ILE A 79 6.405 -6.350 -2.011 1.00 0.00 C ATOM 1068 O ILE A 79 6.399 -6.506 -3.231 1.00 0.00 O ATOM 1069 CB ILE A 79 5.774 -8.156 -0.399 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.281 -9.231 0.568 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.845 -8.770 -1.441 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.335 -9.499 1.718 1.00 0.00 C ATOM 0 H ILE A 79 7.660 -7.022 0.841 1.00 0.00 H new ATOM 0 HA ILE A 79 7.505 -8.175 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 79 5.216 -7.419 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.443 -10.157 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.248 -8.924 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.017 -9.271 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.455 -7.985 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.398 -9.493 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.756 -10.270 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.192 -8.584 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.375 -9.837 1.328 1.00 0.00 H new ATOM 1084 N LEU A 80 5.954 -5.246 -1.416 1.00 0.00 N ATOM 1085 CA LEU A 80 5.409 -4.128 -2.188 1.00 0.00 C ATOM 1086 C LEU A 80 6.412 -3.639 -3.233 1.00 0.00 C ATOM 1087 O LEU A 80 6.027 -3.248 -4.337 1.00 0.00 O ATOM 1088 CB LEU A 80 5.007 -2.976 -1.262 1.00 0.00 C ATOM 1089 CG LEU A 80 3.803 -3.260 -0.359 1.00 0.00 C ATOM 1090 CD1 LEU A 80 3.532 -2.079 0.562 1.00 0.00 C ATOM 1091 CD2 LEU A 80 2.575 -3.582 -1.200 1.00 0.00 C ATOM 0 H LEU A 80 5.955 -5.101 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 80 4.520 -4.486 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.860 -2.720 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.786 -2.100 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 80 4.032 -4.127 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.673 -2.301 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.406 -1.897 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.323 -1.192 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.727 -3.782 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.343 -2.734 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.774 -4.461 -1.813 1.00 0.00 H new ATOM 1103 N SER A 81 7.700 -3.669 -2.882 1.00 0.00 N ATOM 1104 CA SER A 81 8.759 -3.236 -3.793 1.00 0.00 C ATOM 1105 C SER A 81 9.002 -4.261 -4.905 1.00 0.00 C ATOM 1106 O SER A 81 9.561 -3.923 -5.948 1.00 0.00 O ATOM 1107 CB SER A 81 10.060 -2.991 -3.028 1.00 0.00 C ATOM 1108 OG SER A 81 10.559 -1.688 -3.279 1.00 0.00 O ATOM 0 H SER A 81 8.033 -3.989 -1.973 1.00 0.00 H new ATOM 0 HA SER A 81 8.429 -2.304 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.887 -3.119 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.804 -3.732 -3.321 1.00 0.00 H new ATOM 0 HG SER A 81 11.390 -1.554 -2.778 1.00 0.00 H new ATOM 1114 N GLN A 82 8.575 -5.510 -4.686 1.00 0.00 N ATOM 1115 CA GLN A 82 8.747 -6.563 -5.686 1.00 0.00 C ATOM 1116 C GLN A 82 7.762 -6.374 -6.840 1.00 0.00 C ATOM 1117 O GLN A 82 8.042 -6.758 -7.976 1.00 0.00 O ATOM 1118 CB GLN A 82 8.561 -7.945 -5.053 1.00 0.00 C ATOM 1119 CG GLN A 82 9.575 -8.256 -3.961 1.00 0.00 C ATOM 1120 CD GLN A 82 10.138 -9.664 -4.056 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.715 -10.463 -4.892 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.103 -9.977 -3.197 1.00 0.00 N ATOM 0 H GLN A 82 8.111 -5.812 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 82 9.761 -6.496 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.557 -8.012 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.633 -8.705 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.394 -7.539 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.104 -8.124 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.426 -9.287 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.520 -10.908 -3.216 1.00 0.00 H new ATOM 1131 N GLN A 83 6.611 -5.773 -6.536 1.00 0.00 N ATOM 1132 CA GLN A 83 5.581 -5.517 -7.534 1.00 0.00 C ATOM 1133 C GLN A 83 6.047 -4.454 -8.530 1.00 0.00 C ATOM 1134 O GLN A 83 6.093 -3.264 -8.209 1.00 0.00 O ATOM 1135 CB GLN A 83 4.296 -5.073 -6.838 1.00 0.00 C ATOM 1136 CG GLN A 83 3.474 -6.230 -6.293 1.00 0.00 C ATOM 1137 CD GLN A 83 4.055 -6.830 -5.028 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.721 -6.413 -3.919 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.928 -7.817 -5.189 1.00 0.00 N ATOM 0 H GLN A 83 6.371 -5.453 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 83 5.388 -6.435 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.549 -4.399 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.688 -4.505 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.460 -5.884 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.400 -7.006 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.176 -8.131 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.351 -8.262 -4.374 1.00 0.00 H new ATOM 1148 N ARG A 84 6.406 -4.901 -9.735 1.00 0.00 N ATOM 1149 CA ARG A 84 6.888 -4.005 -10.784 1.00 0.00 C ATOM 1150 C ARG A 84 5.827 -3.788 -11.862 1.00 0.00 C ATOM 1151 O ARG A 84 5.007 -4.671 -12.125 1.00 0.00 O ATOM 1152 CB ARG A 84 8.160 -4.576 -11.414 1.00 0.00 C ATOM 1153 CG ARG A 84 9.126 -3.513 -11.919 1.00 0.00 C ATOM 1154 CD ARG A 84 10.517 -3.691 -11.327 1.00 0.00 C ATOM 1155 NE ARG A 84 11.570 -3.296 -12.264 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.951 -4.027 -13.316 1.00 0.00 C ATOM 1157 NH1 ARG A 84 11.364 -5.195 -13.575 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.922 -3.589 -14.111 1.00 0.00 N ATOM 0 H ARG A 84 6.371 -5.883 -10.008 1.00 0.00 H new ATOM 0 HA ARG A 84 7.108 -3.040 -10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.671 -5.198 -10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.883 -5.226 -12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.184 -3.561 -13.006 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.745 -2.524 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.601 -3.098 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.658 -4.734 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 84 12.043 -2.407 -12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.618 -5.537 -12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.660 -5.747 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.375 -2.696 -13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.214 -4.146 -14.914 1.00 0.00 H new ATOM 1172 N GLY A 85 5.855 -2.608 -12.484 1.00 0.00 N ATOM 1173 CA GLY A 85 4.898 -2.288 -13.530 1.00 0.00 C ATOM 1174 C GLY A 85 3.472 -2.240 -13.016 1.00 0.00 C ATOM 1175 O GLY A 85 3.094 -1.307 -12.304 1.00 0.00 O ATOM 0 H GLY A 85 6.526 -1.868 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.155 -1.325 -13.971 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.970 -3.031 -14.324 1.00 0.00 H new ATOM 1179 N GLU A 86 2.685 -3.256 -13.371 1.00 0.00 N ATOM 1180 CA GLU A 86 1.296 -3.339 -12.937 1.00 0.00 C ATOM 1181 C GLU A 86 1.216 -3.852 -11.503 1.00 0.00 C ATOM 1182 O GLU A 86 1.592 -4.991 -11.219 1.00 0.00 O ATOM 1183 CB GLU A 86 0.491 -4.251 -13.867 1.00 0.00 C ATOM 1184 CG GLU A 86 -1.015 -4.149 -13.658 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.771 -5.385 -14.113 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.228 -6.503 -13.985 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.912 -5.232 -14.598 1.00 0.00 O ATOM 0 H GLU A 86 2.989 -4.032 -13.959 1.00 0.00 H new ATOM 0 HA GLU A 86 0.867 -2.338 -12.977 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.725 -4.000 -14.902 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.803 -5.284 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.217 -3.977 -12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.392 -3.281 -14.200 1.00 0.00 H new ATOM 1194 N ILE A 87 0.728 -3.001 -10.603 1.00 0.00 N ATOM 1195 CA ILE A 87 0.603 -3.362 -9.195 1.00 0.00 C ATOM 1196 C ILE A 87 -0.842 -3.222 -8.719 1.00 0.00 C ATOM 1197 O ILE A 87 -1.433 -2.144 -8.806 1.00 0.00 O ATOM 1198 CB ILE A 87 1.510 -2.489 -8.301 1.00 0.00 C ATOM 1199 CG1 ILE A 87 2.892 -2.315 -8.939 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.631 -3.106 -6.914 1.00 0.00 C ATOM 1201 CD1 ILE A 87 3.810 -1.404 -8.151 1.00 0.00 C ATOM 0 H ILE A 87 0.413 -2.057 -10.825 1.00 0.00 H new ATOM 0 HA ILE A 87 0.917 -4.402 -9.109 1.00 0.00 H new ATOM 0 HB ILE A 87 1.056 -1.503 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.363 -3.293 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.771 -1.914 -9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.273 -2.482 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.643 -3.176 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.064 -4.103 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.771 -1.326 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.360 -0.414 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.961 -1.815 -7.153 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.398 -4.318 -8.206 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.770 -4.322 -7.705 1.00 0.00 C ATOM 1215 C GLU A 88 -2.790 -4.051 -6.202 1.00 0.00 C ATOM 1216 O GLU A 88 -2.170 -4.779 -5.426 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.438 -5.667 -8.007 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.959 -5.620 -7.955 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.610 -6.619 -8.895 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.324 -7.830 -8.769 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.407 -6.191 -9.756 1.00 0.00 O ATOM 0 H GLU A 88 -0.919 -5.215 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.326 -3.531 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.127 -6.003 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.082 -6.408 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.290 -5.818 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.296 -4.615 -8.210 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.494 -2.995 -5.795 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.577 -2.632 -4.382 1.00 0.00 C ATOM 1230 C PHE A 89 -5.013 -2.698 -3.867 1.00 0.00 C ATOM 1231 O PHE A 89 -5.928 -2.131 -4.469 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.013 -1.227 -4.166 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.837 -1.192 -3.232 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.547 -1.348 -3.715 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -2.021 -0.997 -1.872 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.536 -1.315 -2.859 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.941 -0.964 -1.011 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.339 -1.120 -1.505 1.00 0.00 C ATOM 0 H PHE A 89 -4.013 -2.379 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.984 -3.354 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.715 -0.811 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.800 -0.585 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.387 -1.497 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.020 -0.869 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.536 -1.441 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.098 -0.816 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.185 -1.090 -0.834 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.198 -3.389 -2.742 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.514 -3.529 -2.127 1.00 0.00 C ATOM 1250 C GLU A 90 -6.519 -2.905 -0.732 1.00 0.00 C ATOM 1251 O GLU A 90 -5.811 -3.367 0.166 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.911 -5.007 -2.048 1.00 0.00 C ATOM 1253 CG GLU A 90 -6.759 -5.753 -3.368 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.954 -6.631 -3.701 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.563 -7.197 -2.768 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.279 -6.758 -4.901 1.00 0.00 O ATOM 0 H GLU A 90 -4.448 -3.862 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.242 -3.005 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.300 -5.498 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.947 -5.079 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.612 -5.031 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.862 -6.371 -3.327 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.313 -1.846 -0.562 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.403 -1.147 0.719 1.00 0.00 C ATOM 1265 C VAL A 91 -8.855 -0.817 1.078 1.00 0.00 C ATOM 1266 O VAL A 91 -9.757 -0.953 0.247 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.580 0.162 0.707 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.087 -0.134 0.651 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.995 1.049 -0.459 1.00 0.00 C ATOM 0 H VAL A 91 -7.903 -1.454 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.993 -1.822 1.470 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.785 0.697 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.530 0.803 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.799 -0.720 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.861 -0.697 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.403 1.964 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.827 0.519 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.052 1.299 -0.368 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.068 -0.381 2.322 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.402 -0.023 2.805 1.00 0.00 C ATOM 1281 C VAL A 92 -10.361 1.261 3.636 1.00 0.00 C ATOM 1282 O VAL A 92 -9.529 1.400 4.535 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.027 -1.155 3.655 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.291 -2.385 2.801 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.135 -1.506 4.840 1.00 0.00 C ATOM 0 H VAL A 92 -8.329 -0.267 3.016 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.021 0.136 1.922 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.979 -0.796 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.730 -3.169 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.980 -2.128 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.353 -2.741 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.598 -2.304 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.162 -1.838 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.006 -0.627 5.471 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.262 2.197 3.329 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.327 3.470 4.048 1.00 0.00 C ATOM 1297 C TYR A 93 -11.863 3.270 5.465 1.00 0.00 C ATOM 1298 O TYR A 93 -12.960 2.741 5.654 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.210 4.471 3.293 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.730 5.908 3.383 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.307 6.449 4.593 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.703 6.721 2.257 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.870 7.757 4.675 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.267 8.030 2.332 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.852 8.542 3.542 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.416 9.845 3.619 1.00 0.00 O ATOM 0 H TYR A 93 -11.956 2.097 2.588 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.315 3.869 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.257 4.179 2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.225 4.413 3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.320 5.837 5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.028 6.323 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.544 8.162 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.252 8.649 1.447 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.465 10.259 2.732 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.083 3.700 6.455 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.476 3.570 7.855 1.00 0.00 C ATOM 1318 C VAL A 94 -11.840 4.925 8.460 1.00 0.00 C ATOM 1319 O VAL A 94 -11.207 5.940 8.161 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.361 2.917 8.702 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.245 1.434 8.378 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.026 3.624 8.487 1.00 0.00 C ATOM 0 H VAL A 94 -10.175 4.142 6.312 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.354 2.925 7.872 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.629 3.020 9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.455 0.990 8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.191 0.939 8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.006 1.310 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.258 3.145 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.747 3.562 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.118 4.671 8.777 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.866 4.929 9.309 1.00 0.00 N ATOM 1333 CA ALA A 95 -13.325 6.153 9.960 1.00 0.00 C ATOM 1334 C ALA A 95 -14.043 5.848 11.273 1.00 0.00 C ATOM 1335 O ALA A 95 -14.704 4.790 11.358 1.00 0.00 O ATOM 1336 CB ALA A 95 -14.240 6.932 9.026 1.00 0.00 C ATOM 0 H ALA A 95 -13.396 4.095 9.562 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.450 6.761 10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.576 7.843 9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.696 7.193 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.104 6.319 8.768 1.00 0.00 H new TER 1342 ALA A 95