USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 62:sc= -2.39! USER MOD Set 1.2: A 45 TYR OH : rot 67:sc= -1.3 USER MOD Set 1.3: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0.00117 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -1.25 (180deg=-1.28) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc=-0.00131 (180deg=-0.107) USER MOD Single : A 38 THR OG1 : rot -52:sc= 1.08 USER MOD Single : A 44 THR OG1 : rot 31:sc= 0.553 USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -0.838 (180deg=-3.93!) USER MOD Single : A 51 THR OG1 : rot -36:sc= -0.29 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.351 -13.634 -0.598 1.00 0.00 N ATOM 18 CA THR A 2 4.902 -12.391 -1.129 1.00 0.00 C ATOM 19 C THR A 2 3.792 -11.477 -1.648 1.00 0.00 C ATOM 20 O THR A 2 2.950 -11.897 -2.442 1.00 0.00 O ATOM 21 CB THR A 2 5.898 -12.690 -2.251 1.00 0.00 C ATOM 22 OG1 THR A 2 6.454 -11.491 -2.760 1.00 0.00 O ATOM 23 CG2 THR A 2 5.283 -13.441 -3.413 1.00 0.00 C ATOM 0 HA THR A 2 5.419 -11.878 -0.318 1.00 0.00 H new ATOM 0 HB THR A 2 6.664 -13.319 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.090 -11.703 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.043 -13.621 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.888 -14.394 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.474 -12.849 -3.841 1.00 0.00 H new ATOM 31 N TYR A 3 3.802 -10.232 -1.195 1.00 0.00 N ATOM 32 CA TYR A 3 2.798 -9.260 -1.613 1.00 0.00 C ATOM 33 C TYR A 3 3.402 -8.219 -2.551 1.00 0.00 C ATOM 34 O TYR A 3 4.610 -7.974 -2.523 1.00 0.00 O ATOM 35 CB TYR A 3 2.199 -8.555 -0.398 1.00 0.00 C ATOM 36 CG TYR A 3 1.063 -9.300 0.258 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.032 -10.687 0.296 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.015 -8.602 0.840 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.015 -11.360 0.897 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.035 -9.266 1.443 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.046 -10.644 1.470 1.00 0.00 C ATOM 42 OH TYR A 3 -2.091 -11.310 2.069 1.00 0.00 O ATOM 0 H TYR A 3 4.493 -9.869 -0.538 1.00 0.00 H new ATOM 0 HA TYR A 3 2.014 -9.801 -2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.986 -8.396 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.844 -7.571 -0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.839 -11.249 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.020 -7.522 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.026 -12.440 0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.844 -8.708 1.891 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.752 -11.843 2.818 1.00 0.00 H new ATOM 52 N LYS A 4 2.553 -7.604 -3.374 1.00 0.00 N ATOM 53 CA LYS A 4 3.005 -6.584 -4.318 1.00 0.00 C ATOM 54 C LYS A 4 2.128 -5.335 -4.248 1.00 0.00 C ATOM 55 O LYS A 4 0.901 -5.427 -4.211 1.00 0.00 O ATOM 56 CB LYS A 4 3.002 -7.144 -5.742 1.00 0.00 C ATOM 57 CG LYS A 4 4.265 -7.910 -6.097 1.00 0.00 C ATOM 58 CD LYS A 4 4.347 -8.188 -7.590 1.00 0.00 C ATOM 59 CE LYS A 4 5.753 -8.590 -8.006 1.00 0.00 C ATOM 60 NZ LYS A 4 5.744 -9.724 -8.969 1.00 0.00 N ATOM 0 H LYS A 4 1.551 -7.794 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 4 4.021 -6.301 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.142 -7.802 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.876 -6.322 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.139 -7.338 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.287 -8.852 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.648 -8.982 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.043 -7.300 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.257 -7.735 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.327 -8.869 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.721 -9.968 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.286 -10.548 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.218 -9.450 -9.823 1.00 0.00 H new ATOM 74 N LEU A 5 2.770 -4.170 -4.227 1.00 0.00 N ATOM 75 CA LEU A 5 2.056 -2.896 -4.160 1.00 0.00 C ATOM 76 C LEU A 5 2.353 -2.017 -5.354 1.00 0.00 C ATOM 77 O LEU A 5 3.486 -1.949 -5.831 1.00 0.00 O ATOM 78 CB LEU A 5 2.443 -2.088 -2.919 1.00 0.00 C ATOM 79 CG LEU A 5 1.555 -0.864 -2.656 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.083 -1.238 -2.709 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.897 -0.217 -1.322 1.00 0.00 C ATOM 0 H LEU A 5 3.786 -4.081 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 5 1.000 -3.164 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.405 -2.743 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.476 -1.756 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 5 1.749 -0.137 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.524 -0.353 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.156 -1.637 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.128 -1.992 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.253 0.648 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.745 -0.938 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.939 0.103 -1.329 1.00 0.00 H new ATOM 93 N ILE A 6 1.338 -1.294 -5.789 1.00 0.00 N ATOM 94 CA ILE A 6 1.495 -0.359 -6.878 1.00 0.00 C ATOM 95 C ILE A 6 0.710 0.910 -6.567 1.00 0.00 C ATOM 96 O ILE A 6 -0.514 0.876 -6.437 1.00 0.00 O ATOM 97 CB ILE A 6 1.030 -0.948 -8.224 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.787 -2.242 -8.529 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.226 0.061 -9.346 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.276 -3.439 -7.756 1.00 0.00 C ATOM 0 H ILE A 6 0.396 -1.339 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 6 2.557 -0.133 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.033 -1.177 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.716 -2.452 -9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.843 -2.097 -8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.892 -0.373 -10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.645 0.958 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.282 0.322 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.859 -4.320 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.372 -3.250 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.228 -3.610 -8.001 1.00 0.00 H new ATOM 112 N LEU A 7 1.419 2.023 -6.426 1.00 0.00 N ATOM 113 CA LEU A 7 0.781 3.293 -6.103 1.00 0.00 C ATOM 114 C LEU A 7 0.593 4.149 -7.344 1.00 0.00 C ATOM 115 O LEU A 7 1.497 4.270 -8.171 1.00 0.00 O ATOM 116 CB LEU A 7 1.607 4.054 -5.064 1.00 0.00 C ATOM 117 CG LEU A 7 1.962 3.254 -3.811 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.056 2.244 -4.115 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.393 4.186 -2.690 1.00 0.00 C ATOM 0 H LEU A 7 2.433 2.072 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.203 3.075 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.530 4.394 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.055 4.945 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 7 1.075 2.711 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.295 1.684 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.712 1.556 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.946 2.766 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.642 3.600 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.267 4.755 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.579 4.872 -2.454 1.00 0.00 H new ATOM 131 N ASN A 8 -0.588 4.744 -7.467 1.00 0.00 N ATOM 132 CA ASN A 8 -0.894 5.596 -8.611 1.00 0.00 C ATOM 133 C ASN A 8 -1.514 6.915 -8.158 1.00 0.00 C ATOM 134 O ASN A 8 -2.725 7.008 -7.959 1.00 0.00 O ATOM 135 CB ASN A 8 -1.836 4.872 -9.577 1.00 0.00 C ATOM 136 CG ASN A 8 -1.117 4.360 -10.808 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.129 3.631 -10.706 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.608 4.740 -11.982 1.00 0.00 N ATOM 0 H ASN A 8 -1.347 4.653 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 8 0.039 5.817 -9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.309 4.036 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.633 5.551 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.165 4.427 -12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.429 5.345 -12.020 1.00 0.00 H new ATOM 145 N LEU A 9 -0.673 7.933 -7.997 1.00 0.00 N ATOM 146 CA LEU A 9 -1.135 9.248 -7.567 1.00 0.00 C ATOM 147 C LEU A 9 -0.208 10.347 -8.075 1.00 0.00 C ATOM 148 O LEU A 9 1.016 10.220 -8.010 1.00 0.00 O ATOM 149 CB LEU A 9 -1.223 9.302 -6.037 1.00 0.00 C ATOM 150 CG LEU A 9 -2.595 8.932 -5.458 1.00 0.00 C ATOM 151 CD1 LEU A 9 -2.460 8.010 -4.252 1.00 0.00 C ATOM 152 CD2 LEU A 9 -3.368 10.188 -5.082 1.00 0.00 C ATOM 0 H LEU A 9 0.332 7.872 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.126 9.414 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.475 8.628 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.965 10.308 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.148 8.394 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.450 7.768 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.952 7.093 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.881 8.509 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.339 9.909 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.808 10.750 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.512 10.806 -5.968 1.00 0.00 H new ATOM 213 N LYS A 13 4.205 6.776 -10.116 1.00 0.00 N ATOM 214 CA LYS A 13 4.041 5.358 -9.823 1.00 0.00 C ATOM 215 C LYS A 13 5.097 4.880 -8.827 1.00 0.00 C ATOM 216 O LYS A 13 6.253 5.306 -8.888 1.00 0.00 O ATOM 217 CB LYS A 13 4.121 4.528 -11.113 1.00 0.00 C ATOM 218 CG LYS A 13 5.460 4.663 -11.830 1.00 0.00 C ATOM 219 CD LYS A 13 5.484 3.852 -13.112 1.00 0.00 C ATOM 220 CE LYS A 13 6.540 4.374 -14.079 1.00 0.00 C ATOM 221 NZ LYS A 13 7.921 4.035 -13.633 1.00 0.00 N ATOM 0 HA LYS A 13 3.057 5.220 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.948 3.479 -10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.322 4.837 -11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.649 5.712 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.262 4.330 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.686 2.806 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.503 3.889 -13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.365 3.953 -15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.444 5.456 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.609 4.408 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.098 4.458 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.021 3.002 -13.569 1.00 0.00 H new ATOM 235 N GLU A 14 4.699 3.997 -7.927 1.00 0.00 N ATOM 236 CA GLU A 14 5.612 3.458 -6.923 1.00 0.00 C ATOM 237 C GLU A 14 5.314 1.985 -6.660 1.00 0.00 C ATOM 238 O GLU A 14 4.205 1.513 -6.913 1.00 0.00 O ATOM 239 CB GLU A 14 5.508 4.260 -5.622 1.00 0.00 C ATOM 240 CG GLU A 14 6.711 5.151 -5.364 1.00 0.00 C ATOM 241 CD GLU A 14 6.446 6.604 -5.709 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.549 7.208 -5.085 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.136 7.136 -6.601 1.00 0.00 O ATOM 0 H GLU A 14 3.747 3.635 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 14 6.629 3.541 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.609 4.876 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.391 3.570 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.995 5.077 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.557 4.791 -5.949 1.00 0.00 H new ATOM 250 N GLU A 15 6.310 1.262 -6.159 1.00 0.00 N ATOM 251 CA GLU A 15 6.151 -0.160 -5.872 1.00 0.00 C ATOM 252 C GLU A 15 6.470 -0.474 -4.413 1.00 0.00 C ATOM 253 O GLU A 15 7.147 0.297 -3.733 1.00 0.00 O ATOM 254 CB GLU A 15 7.054 -0.984 -6.793 1.00 0.00 C ATOM 255 CG GLU A 15 6.655 -0.912 -8.259 1.00 0.00 C ATOM 256 CD GLU A 15 7.766 -1.358 -9.188 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.731 -0.592 -9.362 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.669 -2.476 -9.737 1.00 0.00 O ATOM 0 H GLU A 15 7.234 1.636 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 15 5.109 -0.424 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.082 -0.636 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.035 -2.025 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.776 -1.536 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.370 0.111 -8.504 1.00 0.00 H new ATOM 265 N ALA A 16 5.982 -1.619 -3.943 1.00 0.00 N ATOM 266 CA ALA A 16 6.209 -2.059 -2.579 1.00 0.00 C ATOM 267 C ALA A 16 5.895 -3.543 -2.462 1.00 0.00 C ATOM 268 O ALA A 16 4.961 -4.038 -3.087 1.00 0.00 O ATOM 269 CB ALA A 16 5.346 -1.255 -1.601 1.00 0.00 C ATOM 0 H ALA A 16 5.420 -2.263 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 16 7.256 -1.892 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.531 -1.600 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.599 -0.198 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.293 -1.394 -1.846 1.00 0.00 H new ATOM 275 N ILE A 17 6.675 -4.247 -1.664 1.00 0.00 N ATOM 276 CA ILE A 17 6.471 -5.677 -1.473 1.00 0.00 C ATOM 277 C ILE A 17 6.595 -6.067 -0.014 1.00 0.00 C ATOM 278 O ILE A 17 7.419 -5.521 0.719 1.00 0.00 O ATOM 279 CB ILE A 17 7.466 -6.523 -2.286 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.881 -5.936 -2.205 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.013 -6.630 -3.733 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.722 -6.515 -1.086 1.00 0.00 C ATOM 0 H ILE A 17 7.456 -3.856 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 17 5.460 -5.880 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 17 7.492 -7.524 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.389 -6.106 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.809 -4.857 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.728 -7.232 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.031 -7.102 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.955 -5.633 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.708 -6.050 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.237 -6.321 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.827 -7.591 -1.229 1.00 0.00 H new ATOM 294 N LYS A 18 5.766 -7.016 0.403 1.00 0.00 N ATOM 295 CA LYS A 18 5.782 -7.477 1.783 1.00 0.00 C ATOM 296 C LYS A 18 5.512 -8.975 1.873 1.00 0.00 C ATOM 297 O LYS A 18 4.723 -9.522 1.104 1.00 0.00 O ATOM 298 CB LYS A 18 4.746 -6.703 2.598 1.00 0.00 C ATOM 299 CG LYS A 18 4.718 -5.222 2.270 1.00 0.00 C ATOM 300 CD LYS A 18 5.920 -4.484 2.845 1.00 0.00 C ATOM 301 CE LYS A 18 6.203 -3.203 2.075 1.00 0.00 C ATOM 302 NZ LYS A 18 7.223 -2.359 2.756 1.00 0.00 N ATOM 0 H LYS A 18 5.078 -7.478 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 18 6.776 -7.294 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.759 -7.128 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.958 -6.830 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.697 -5.091 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.801 -4.782 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.737 -4.248 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.796 -5.131 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.549 -3.452 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.279 -2.636 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.241 -1.416 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.982 -2.269 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.159 -2.802 2.662 1.00 0.00 H new ATOM 316 N GLU A 19 6.172 -9.630 2.822 1.00 0.00 N ATOM 317 CA GLU A 19 6.003 -11.060 3.021 1.00 0.00 C ATOM 318 C GLU A 19 5.412 -11.352 4.395 1.00 0.00 C ATOM 319 O GLU A 19 6.083 -11.195 5.415 1.00 0.00 O ATOM 320 CB GLU A 19 7.347 -11.782 2.869 1.00 0.00 C ATOM 321 CG GLU A 19 7.225 -13.172 2.281 1.00 0.00 C ATOM 322 CD GLU A 19 8.280 -13.454 1.230 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.163 -12.920 0.108 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.228 -14.220 1.526 1.00 0.00 O ATOM 0 H GLU A 19 6.830 -9.190 3.465 1.00 0.00 H new ATOM 0 HA GLU A 19 5.313 -11.427 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.001 -11.184 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.826 -11.850 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.307 -13.909 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.236 -13.290 1.839 1.00 0.00 H new ATOM 331 N ALA A 20 4.152 -11.771 4.416 1.00 0.00 N ATOM 332 CA ALA A 20 3.472 -12.076 5.670 1.00 0.00 C ATOM 333 C ALA A 20 2.502 -13.238 5.503 1.00 0.00 C ATOM 334 O ALA A 20 2.081 -13.555 4.391 1.00 0.00 O ATOM 335 CB ALA A 20 2.737 -10.847 6.183 1.00 0.00 C ATOM 0 H ALA A 20 3.582 -11.907 3.581 1.00 0.00 H new ATOM 0 HA ALA A 20 4.227 -12.369 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.234 -11.088 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.450 -10.040 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.999 -10.530 5.446 1.00 0.00 H new ATOM 341 N VAL A 21 2.148 -13.864 6.619 1.00 0.00 N ATOM 342 CA VAL A 21 1.229 -14.998 6.600 1.00 0.00 C ATOM 343 C VAL A 21 -0.187 -14.549 6.250 1.00 0.00 C ATOM 344 O VAL A 21 -0.964 -15.305 5.671 1.00 0.00 O ATOM 345 CB VAL A 21 1.207 -15.723 7.960 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.707 -14.798 9.058 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.356 -16.984 7.882 1.00 0.00 C ATOM 0 H VAL A 21 2.482 -13.607 7.548 1.00 0.00 H new ATOM 0 HA VAL A 21 1.588 -15.687 5.836 1.00 0.00 H new ATOM 0 HB VAL A 21 2.227 -16.016 8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.700 -15.332 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.365 -13.933 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.304 -14.466 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.353 -17.482 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.665 -16.718 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.770 -17.656 7.131 1.00 0.00 H new ATOM 357 N ASP A 22 -0.515 -13.316 6.607 1.00 0.00 N ATOM 358 CA ASP A 22 -1.831 -12.766 6.335 1.00 0.00 C ATOM 359 C ASP A 22 -1.748 -11.676 5.266 1.00 0.00 C ATOM 360 O ASP A 22 -0.876 -11.714 4.399 1.00 0.00 O ATOM 361 CB ASP A 22 -2.439 -12.213 7.628 1.00 0.00 C ATOM 362 CG ASP A 22 -3.932 -12.465 7.719 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.561 -12.695 6.665 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.472 -12.433 8.845 1.00 0.00 O ATOM 0 H ASP A 22 0.117 -12.676 7.088 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.475 -13.560 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.943 -12.671 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.250 -11.141 7.686 1.00 0.00 H new ATOM 369 N ALA A 23 -2.656 -10.710 5.332 1.00 0.00 N ATOM 370 CA ALA A 23 -2.681 -9.615 4.369 1.00 0.00 C ATOM 371 C ALA A 23 -2.707 -8.261 5.073 1.00 0.00 C ATOM 372 O ALA A 23 -2.066 -7.307 4.628 1.00 0.00 O ATOM 373 CB ALA A 23 -3.882 -9.754 3.447 1.00 0.00 C ATOM 0 H ALA A 23 -3.386 -10.662 6.043 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.769 -9.667 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.890 -8.931 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.820 -10.700 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.798 -9.731 4.037 1.00 0.00 H new ATOM 379 N GLY A 24 -3.451 -8.182 6.173 1.00 0.00 N ATOM 380 CA GLY A 24 -3.544 -6.941 6.918 1.00 0.00 C ATOM 381 C GLY A 24 -2.183 -6.367 7.268 1.00 0.00 C ATOM 382 O GLY A 24 -2.037 -5.159 7.473 1.00 0.00 O ATOM 0 H GLY A 24 -3.991 -8.956 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.102 -6.211 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.108 -7.113 7.835 1.00 0.00 H new ATOM 386 N ILE A 25 -1.181 -7.234 7.335 1.00 0.00 N ATOM 387 CA ILE A 25 0.174 -6.810 7.659 1.00 0.00 C ATOM 388 C ILE A 25 0.780 -6.010 6.508 1.00 0.00 C ATOM 389 O ILE A 25 1.395 -4.962 6.721 1.00 0.00 O ATOM 390 CB ILE A 25 1.079 -8.023 7.982 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.674 -8.650 9.321 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.547 -7.614 8.017 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.656 -7.665 10.470 1.00 0.00 C ATOM 0 H ILE A 25 -1.282 -8.235 7.169 1.00 0.00 H new ATOM 0 HA ILE A 25 0.115 -6.175 8.543 1.00 0.00 H new ATOM 0 HB ILE A 25 0.948 -8.762 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.316 -9.095 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.365 -9.459 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.162 -8.484 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.836 -7.211 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.695 -6.854 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.361 -8.179 11.385 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.650 -7.238 10.598 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.056 -6.868 10.255 1.00 0.00 H new ATOM 405 N ALA A 26 0.609 -6.507 5.288 1.00 0.00 N ATOM 406 CA ALA A 26 1.153 -5.827 4.124 1.00 0.00 C ATOM 407 C ALA A 26 0.514 -4.461 3.929 1.00 0.00 C ATOM 408 O ALA A 26 1.211 -3.477 3.686 1.00 0.00 O ATOM 409 CB ALA A 26 0.990 -6.660 2.869 1.00 0.00 C ATOM 0 H ALA A 26 0.103 -7.369 5.083 1.00 0.00 H new ATOM 0 HA ALA A 26 2.218 -5.686 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.407 -6.122 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.514 -7.608 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.069 -6.851 2.694 1.00 0.00 H new ATOM 415 N GLU A 27 -0.814 -4.391 4.042 1.00 0.00 N ATOM 416 CA GLU A 27 -1.502 -3.110 3.875 1.00 0.00 C ATOM 417 C GLU A 27 -0.949 -2.103 4.873 1.00 0.00 C ATOM 418 O GLU A 27 -0.888 -0.906 4.593 1.00 0.00 O ATOM 419 CB GLU A 27 -3.021 -3.230 4.041 1.00 0.00 C ATOM 420 CG GLU A 27 -3.440 -3.715 5.410 1.00 0.00 C ATOM 421 CD GLU A 27 -4.901 -4.116 5.464 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.348 -4.857 4.563 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.600 -3.688 6.407 1.00 0.00 O ATOM 0 H GLU A 27 -1.422 -5.185 4.243 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.319 -2.771 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.477 -2.258 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.408 -3.915 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.822 -4.567 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.255 -2.929 6.142 1.00 0.00 H new ATOM 430 N LYS A 28 -0.524 -2.603 6.033 1.00 0.00 N ATOM 431 CA LYS A 28 0.050 -1.746 7.060 1.00 0.00 C ATOM 432 C LYS A 28 1.348 -1.131 6.555 1.00 0.00 C ATOM 433 O LYS A 28 1.672 0.010 6.881 1.00 0.00 O ATOM 434 CB LYS A 28 0.309 -2.534 8.345 1.00 0.00 C ATOM 435 CG LYS A 28 -0.946 -3.148 8.942 1.00 0.00 C ATOM 436 CD LYS A 28 -1.364 -2.436 10.219 1.00 0.00 C ATOM 437 CE LYS A 28 -2.159 -1.175 9.919 1.00 0.00 C ATOM 438 NZ LYS A 28 -1.316 0.049 10.015 1.00 0.00 N ATOM 0 H LYS A 28 -0.567 -3.592 6.281 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.662 -0.952 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.028 -3.326 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.766 -1.873 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.757 -3.099 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.771 -4.203 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.964 -3.108 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.478 -2.179 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.586 -1.244 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.993 -1.097 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.891 0.885 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.943 0.139 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.525 -0.021 9.344 1.00 0.00 H new ATOM 452 N TYR A 29 2.080 -1.891 5.741 1.00 0.00 N ATOM 453 CA TYR A 29 3.339 -1.410 5.170 1.00 0.00 C ATOM 454 C TYR A 29 3.092 -0.646 3.904 1.00 0.00 C ATOM 455 O TYR A 29 3.756 0.344 3.601 1.00 0.00 O ATOM 456 CB TYR A 29 4.269 -2.561 4.840 1.00 0.00 C ATOM 457 CG TYR A 29 5.336 -2.720 5.893 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.972 -1.588 6.383 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.707 -3.955 6.402 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.938 -1.669 7.342 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.681 -4.052 7.374 1.00 0.00 C ATOM 462 CZ TYR A 29 7.301 -2.904 7.846 1.00 0.00 C ATOM 463 OH TYR A 29 8.268 -2.994 8.810 1.00 0.00 O ATOM 0 H TYR A 29 1.825 -2.839 5.463 1.00 0.00 H new ATOM 0 HA TYR A 29 3.798 -0.765 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.695 -3.484 4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.735 -2.389 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.695 -0.619 5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.228 -4.850 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.417 -0.772 7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.960 -5.019 7.766 1.00 0.00 H new ATOM 0 HH TYR A 29 8.401 -3.934 9.054 1.00 0.00 H new ATOM 473 N PHE A 30 2.119 -1.125 3.179 1.00 0.00 N ATOM 474 CA PHE A 30 1.730 -0.527 1.939 1.00 0.00 C ATOM 475 C PHE A 30 1.231 0.869 2.242 1.00 0.00 C ATOM 476 O PHE A 30 1.551 1.829 1.544 1.00 0.00 O ATOM 477 CB PHE A 30 0.651 -1.398 1.298 1.00 0.00 C ATOM 478 CG PHE A 30 1.146 -2.750 0.831 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.490 -3.003 0.598 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.245 -3.752 0.577 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.909 -4.224 0.123 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.654 -4.978 0.089 1.00 0.00 C ATOM 483 CZ PHE A 30 1.993 -5.210 -0.140 1.00 0.00 C ATOM 0 H PHE A 30 1.572 -1.947 3.437 1.00 0.00 H new ATOM 0 HA PHE A 30 2.560 -0.456 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.155 -1.546 2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.226 -0.865 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.218 -2.230 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.805 -3.579 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.960 -4.406 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.073 -5.751 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.320 -6.165 -0.525 1.00 0.00 H new ATOM 493 N LYS A 31 0.489 0.971 3.341 1.00 0.00 N ATOM 494 CA LYS A 31 -0.008 2.247 3.805 1.00 0.00 C ATOM 495 C LYS A 31 1.124 2.975 4.523 1.00 0.00 C ATOM 496 O LYS A 31 1.110 4.200 4.645 1.00 0.00 O ATOM 497 CB LYS A 31 -1.215 2.066 4.734 1.00 0.00 C ATOM 498 CG LYS A 31 -0.863 1.520 6.112 1.00 0.00 C ATOM 499 CD LYS A 31 -2.106 1.094 6.876 1.00 0.00 C ATOM 500 CE LYS A 31 -2.969 2.289 7.248 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.358 1.884 7.597 1.00 0.00 N ATOM 0 H LYS A 31 0.222 0.178 3.924 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.345 2.837 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.716 3.027 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.928 1.392 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.190 0.669 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.328 2.281 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.687 0.399 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.813 0.560 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.520 2.812 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.994 2.992 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.914 2.728 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.796 1.408 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.336 1.233 8.408 1.00 0.00 H new ATOM 515 N LEU A 32 2.124 2.206 4.980 1.00 0.00 N ATOM 516 CA LEU A 32 3.276 2.798 5.663 1.00 0.00 C ATOM 517 C LEU A 32 4.088 3.628 4.675 1.00 0.00 C ATOM 518 O LEU A 32 4.460 4.767 4.962 1.00 0.00 O ATOM 519 CB LEU A 32 4.152 1.727 6.326 1.00 0.00 C ATOM 520 CG LEU A 32 4.802 2.159 7.642 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.749 2.327 8.726 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.855 1.148 8.071 1.00 0.00 C ATOM 0 H LEU A 32 2.156 1.191 4.890 1.00 0.00 H new ATOM 0 HA LEU A 32 2.907 3.447 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.543 0.842 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.936 1.435 5.628 1.00 0.00 H new ATOM 0 HG LEU A 32 5.291 3.121 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.229 2.634 9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.030 3.087 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.232 1.380 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.308 1.470 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.388 0.173 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.625 1.076 7.302 1.00 0.00 H new ATOM 534 N ILE A 33 4.342 3.062 3.495 1.00 0.00 N ATOM 535 CA ILE A 33 5.087 3.768 2.468 1.00 0.00 C ATOM 536 C ILE A 33 4.155 4.621 1.615 1.00 0.00 C ATOM 537 O ILE A 33 4.530 5.702 1.172 1.00 0.00 O ATOM 538 CB ILE A 33 5.869 2.803 1.553 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.703 3.589 0.533 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.916 1.849 0.847 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.377 4.817 1.111 1.00 0.00 C ATOM 0 H ILE A 33 4.043 2.123 3.233 1.00 0.00 H new ATOM 0 HA ILE A 33 5.803 4.408 2.984 1.00 0.00 H new ATOM 0 HB ILE A 33 6.548 2.214 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.465 2.930 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.059 3.894 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.484 1.175 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.368 1.268 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.213 2.420 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.948 5.320 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.620 5.497 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.048 4.519 1.916 1.00 0.00 H new ATOM 553 N ALA A 34 2.933 4.141 1.395 1.00 0.00 N ATOM 554 CA ALA A 34 1.966 4.889 0.605 1.00 0.00 C ATOM 555 C ALA A 34 1.708 6.248 1.245 1.00 0.00 C ATOM 556 O ALA A 34 1.449 7.234 0.556 1.00 0.00 O ATOM 557 CB ALA A 34 0.670 4.107 0.466 1.00 0.00 C ATOM 0 H ALA A 34 2.594 3.247 1.750 1.00 0.00 H new ATOM 0 HA ALA A 34 2.376 5.046 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.040 4.682 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.870 3.156 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.250 3.921 1.454 1.00 0.00 H new ATOM 563 N ASN A 35 1.801 6.291 2.570 1.00 0.00 N ATOM 564 CA ASN A 35 1.600 7.529 3.310 1.00 0.00 C ATOM 565 C ASN A 35 2.900 8.322 3.370 1.00 0.00 C ATOM 566 O ASN A 35 2.889 9.553 3.392 1.00 0.00 O ATOM 567 CB ASN A 35 1.101 7.230 4.726 1.00 0.00 C ATOM 568 CG ASN A 35 0.297 8.375 5.309 1.00 0.00 C ATOM 569 OD1 ASN A 35 -0.930 8.406 5.201 1.00 0.00 O ATOM 570 ND2 ASN A 35 0.984 9.325 5.931 1.00 0.00 N ATOM 0 H ASN A 35 2.015 5.481 3.153 1.00 0.00 H new ATOM 0 HA ASN A 35 0.847 8.124 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.487 6.330 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.954 7.022 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.496 10.121 6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.000 9.260 5.997 1.00 0.00 H new ATOM 577 N ALA A 36 4.021 7.604 3.386 1.00 0.00 N ATOM 578 CA ALA A 36 5.333 8.239 3.432 1.00 0.00 C ATOM 579 C ALA A 36 5.728 8.773 2.058 1.00 0.00 C ATOM 580 O ALA A 36 6.416 9.788 1.949 1.00 0.00 O ATOM 581 CB ALA A 36 6.377 7.257 3.940 1.00 0.00 C ATOM 0 H ALA A 36 4.046 6.584 3.368 1.00 0.00 H new ATOM 0 HA ALA A 36 5.280 9.082 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.351 7.745 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.107 6.925 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.422 6.396 3.273 1.00 0.00 H new ATOM 587 N LYS A 37 5.283 8.084 1.009 1.00 0.00 N ATOM 588 CA LYS A 37 5.589 8.497 -0.361 1.00 0.00 C ATOM 589 C LYS A 37 4.475 9.375 -0.929 1.00 0.00 C ATOM 590 O LYS A 37 4.721 10.498 -1.368 1.00 0.00 O ATOM 591 CB LYS A 37 5.815 7.290 -1.282 1.00 0.00 C ATOM 592 CG LYS A 37 7.204 6.691 -1.162 1.00 0.00 C ATOM 593 CD LYS A 37 8.126 7.188 -2.264 1.00 0.00 C ATOM 594 CE LYS A 37 9.577 6.831 -1.982 1.00 0.00 C ATOM 595 NZ LYS A 37 10.146 7.652 -0.877 1.00 0.00 N ATOM 0 H LYS A 37 4.712 7.242 1.079 1.00 0.00 H new ATOM 0 HA LYS A 37 6.513 9.074 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.076 6.523 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.647 7.594 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.628 6.945 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.137 5.604 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.822 6.754 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.029 8.269 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.647 5.775 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.169 6.978 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.180 7.542 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.907 8.653 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.749 7.336 0.031 1.00 0.00 H new ATOM 609 N THR A 38 3.251 8.853 -0.919 1.00 0.00 N ATOM 610 CA THR A 38 2.098 9.590 -1.435 1.00 0.00 C ATOM 611 C THR A 38 1.228 10.107 -0.290 1.00 0.00 C ATOM 612 O THR A 38 1.685 10.204 0.849 1.00 0.00 O ATOM 613 CB THR A 38 1.274 8.701 -2.370 1.00 0.00 C ATOM 614 OG1 THR A 38 0.474 7.795 -1.630 1.00 0.00 O ATOM 615 CG2 THR A 38 2.118 7.890 -3.329 1.00 0.00 C ATOM 0 H THR A 38 3.031 7.924 -0.560 1.00 0.00 H new ATOM 0 HA THR A 38 2.465 10.447 -1.999 1.00 0.00 H new ATOM 0 HB THR A 38 0.658 9.390 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.035 7.313 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.469 7.284 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.707 8.562 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.786 7.239 -2.765 1.00 0.00 H new ATOM 623 N VAL A 39 -0.025 10.444 -0.595 1.00 0.00 N ATOM 624 CA VAL A 39 -0.943 10.954 0.421 1.00 0.00 C ATOM 625 C VAL A 39 -2.047 9.947 0.743 1.00 0.00 C ATOM 626 O VAL A 39 -2.125 9.451 1.865 1.00 0.00 O ATOM 627 CB VAL A 39 -1.581 12.303 0.011 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.780 13.464 0.582 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.694 12.427 -1.505 1.00 0.00 C ATOM 0 H VAL A 39 -0.425 10.374 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.340 11.116 1.314 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.589 12.335 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.242 14.406 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.764 13.395 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.241 13.424 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.146 13.386 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.701 12.365 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.316 11.619 -1.891 1.00 0.00 H new ATOM 639 N GLU A 40 -2.898 9.648 -0.241 1.00 0.00 N ATOM 640 CA GLU A 40 -3.993 8.701 -0.051 1.00 0.00 C ATOM 641 C GLU A 40 -4.933 8.708 -1.254 1.00 0.00 C ATOM 642 O GLU A 40 -5.178 9.749 -1.864 1.00 0.00 O ATOM 643 CB GLU A 40 -4.783 9.030 1.223 1.00 0.00 C ATOM 644 CG GLU A 40 -6.012 8.157 1.424 1.00 0.00 C ATOM 645 CD GLU A 40 -7.303 8.882 1.097 1.00 0.00 C ATOM 646 OE1 GLU A 40 -7.587 9.911 1.745 1.00 0.00 O ATOM 647 OE2 GLU A 40 -8.030 8.420 0.193 1.00 0.00 O ATOM 0 H GLU A 40 -2.848 10.050 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.557 7.707 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.126 8.921 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.092 10.075 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.929 7.270 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.044 7.814 2.458 1.00 0.00 H new ATOM 654 N GLY A 41 -5.461 7.536 -1.575 1.00 0.00 N ATOM 655 CA GLY A 41 -6.384 7.402 -2.695 1.00 0.00 C ATOM 656 C GLY A 41 -7.301 6.206 -2.528 1.00 0.00 C ATOM 657 O GLY A 41 -7.509 5.735 -1.409 1.00 0.00 O ATOM 0 H GLY A 41 -5.268 6.666 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.982 8.309 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.819 7.300 -3.622 1.00 0.00 H new ATOM 661 N VAL A 42 -7.843 5.700 -3.631 1.00 0.00 N ATOM 662 CA VAL A 42 -8.726 4.540 -3.569 1.00 0.00 C ATOM 663 C VAL A 42 -7.902 3.268 -3.415 1.00 0.00 C ATOM 664 O VAL A 42 -7.262 2.806 -4.360 1.00 0.00 O ATOM 665 CB VAL A 42 -9.626 4.424 -4.816 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.786 5.405 -4.728 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.823 4.654 -6.086 1.00 0.00 C ATOM 0 H VAL A 42 -7.689 6.070 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.375 4.673 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.032 3.413 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.411 5.310 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.380 5.187 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.399 6.422 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.479 4.567 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.383 5.651 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.030 3.909 -6.155 1.00 0.00 H new ATOM 677 N TRP A 43 -7.899 2.729 -2.202 1.00 0.00 N ATOM 678 CA TRP A 43 -7.140 1.544 -1.877 1.00 0.00 C ATOM 679 C TRP A 43 -7.869 0.266 -2.290 1.00 0.00 C ATOM 680 O TRP A 43 -9.064 0.108 -2.034 1.00 0.00 O ATOM 681 CB TRP A 43 -6.885 1.554 -0.377 1.00 0.00 C ATOM 682 CG TRP A 43 -5.581 2.196 0.006 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.352 3.537 0.162 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.327 1.544 0.274 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.043 3.756 0.507 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.396 2.554 0.584 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.892 0.213 0.285 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.071 2.273 0.897 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.572 -0.049 0.599 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.684 0.973 0.900 1.00 0.00 C ATOM 0 H TRP A 43 -8.428 3.109 -1.417 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.200 1.554 -2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.700 2.082 0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.898 0.529 -0.008 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.095 4.310 0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.620 4.668 0.678 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.574 -0.592 0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.373 3.063 1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.224 -1.071 0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.660 0.728 1.142 1.00 0.00 H new ATOM 701 N THR A 44 -7.134 -0.644 -2.925 1.00 0.00 N ATOM 702 CA THR A 44 -7.694 -1.915 -3.373 1.00 0.00 C ATOM 703 C THR A 44 -6.641 -3.020 -3.301 1.00 0.00 C ATOM 704 O THR A 44 -5.447 -2.759 -3.446 1.00 0.00 O ATOM 705 CB THR A 44 -8.224 -1.790 -4.803 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.548 -0.758 -5.499 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.707 -1.492 -4.866 1.00 0.00 C ATOM 0 H THR A 44 -6.145 -0.523 -3.141 1.00 0.00 H new ATOM 0 HA THR A 44 -8.521 -2.176 -2.712 1.00 0.00 H new ATOM 0 HB THR A 44 -8.045 -2.761 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.628 -0.688 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.019 -1.416 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.260 -2.295 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.911 -0.550 -4.356 1.00 0.00 H new ATOM 715 N TYR A 45 -7.087 -4.252 -3.077 1.00 0.00 N ATOM 716 CA TYR A 45 -6.170 -5.388 -2.988 1.00 0.00 C ATOM 717 C TYR A 45 -6.732 -6.611 -3.712 1.00 0.00 C ATOM 718 O TYR A 45 -7.935 -6.873 -3.674 1.00 0.00 O ATOM 719 CB TYR A 45 -5.867 -5.727 -1.520 1.00 0.00 C ATOM 720 CG TYR A 45 -5.278 -7.106 -1.309 1.00 0.00 C ATOM 721 CD1 TYR A 45 -3.946 -7.369 -1.609 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.053 -8.142 -0.807 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.407 -8.626 -1.414 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.520 -9.403 -0.608 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.197 -9.638 -0.914 1.00 0.00 C ATOM 726 OH TYR A 45 -3.663 -10.891 -0.716 1.00 0.00 O ATOM 0 H TYR A 45 -8.071 -4.491 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.239 -5.103 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.175 -4.984 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.788 -5.646 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.323 -6.578 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.090 -7.961 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.371 -8.815 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.137 -10.198 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.997 -10.853 0.002 1.00 0.00 H new ATOM 736 N LYS A 46 -5.845 -7.358 -4.363 1.00 0.00 N ATOM 737 CA LYS A 46 -6.237 -8.559 -5.091 1.00 0.00 C ATOM 738 C LYS A 46 -5.782 -9.809 -4.345 1.00 0.00 C ATOM 739 O LYS A 46 -4.657 -9.873 -3.853 1.00 0.00 O ATOM 740 CB LYS A 46 -5.643 -8.548 -6.500 1.00 0.00 C ATOM 741 CG LYS A 46 -5.751 -7.201 -7.197 1.00 0.00 C ATOM 742 CD LYS A 46 -7.163 -6.946 -7.698 1.00 0.00 C ATOM 743 CE LYS A 46 -7.543 -5.480 -7.568 1.00 0.00 C ATOM 744 NZ LYS A 46 -7.888 -5.119 -6.164 1.00 0.00 N ATOM 0 H LYS A 46 -4.847 -7.151 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.324 -8.572 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.593 -8.836 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.148 -9.302 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.460 -6.409 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.055 -7.167 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.241 -7.252 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.867 -7.557 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.715 -4.859 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.392 -5.266 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.636 -4.397 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.224 -5.965 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.045 -4.743 -5.685 1.00 0.00 H new ATOM 758 N ASP A 47 -6.665 -10.799 -4.262 1.00 0.00 N ATOM 759 CA ASP A 47 -6.349 -12.047 -3.571 1.00 0.00 C ATOM 760 C ASP A 47 -5.789 -13.082 -4.540 1.00 0.00 C ATOM 761 O ASP A 47 -5.017 -13.953 -4.150 1.00 0.00 O ATOM 762 CB ASP A 47 -7.598 -12.603 -2.882 1.00 0.00 C ATOM 763 CG ASP A 47 -7.307 -13.859 -2.085 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.282 -13.886 -1.371 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.106 -14.809 -2.173 1.00 0.00 O ATOM 0 H ASP A 47 -7.602 -10.763 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.590 -11.832 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.013 -11.843 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.358 -12.820 -3.633 1.00 0.00 H new ATOM 770 N GLU A 48 -6.189 -12.979 -5.803 1.00 0.00 N ATOM 771 CA GLU A 48 -5.734 -13.905 -6.831 1.00 0.00 C ATOM 772 C GLU A 48 -4.212 -13.998 -6.861 1.00 0.00 C ATOM 773 O GLU A 48 -3.655 -15.063 -7.128 1.00 0.00 O ATOM 774 CB GLU A 48 -6.256 -13.475 -8.203 1.00 0.00 C ATOM 775 CG GLU A 48 -6.170 -14.568 -9.257 1.00 0.00 C ATOM 776 CD GLU A 48 -7.535 -15.002 -9.756 1.00 0.00 C ATOM 777 OE1 GLU A 48 -8.159 -15.865 -9.100 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.976 -14.487 -10.805 1.00 0.00 O ATOM 0 H GLU A 48 -6.830 -12.260 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.131 -14.891 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.294 -13.158 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.689 -12.608 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.576 -14.211 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.648 -15.430 -8.841 1.00 0.00 H new ATOM 785 N ILE A 49 -3.537 -12.890 -6.591 1.00 0.00 N ATOM 786 CA ILE A 49 -2.079 -12.860 -6.593 1.00 0.00 C ATOM 787 C ILE A 49 -1.525 -12.032 -5.432 1.00 0.00 C ATOM 788 O ILE A 49 -0.337 -11.708 -5.410 1.00 0.00 O ATOM 789 CB ILE A 49 -1.528 -12.295 -7.917 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.020 -10.865 -8.137 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.926 -13.190 -9.083 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.500 -10.767 -8.445 1.00 0.00 C ATOM 0 H ILE A 49 -3.976 -11.997 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.753 -13.894 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.440 -12.274 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.804 -10.276 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.458 -10.420 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.529 -12.777 -10.010 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.521 -14.190 -8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.013 -13.244 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.773 -9.722 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.720 -11.328 -9.353 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.073 -11.181 -7.615 1.00 0.00 H new ATOM 804 N LYS A 50 -2.380 -11.708 -4.469 1.00 0.00 N ATOM 805 CA LYS A 50 -1.964 -10.924 -3.308 1.00 0.00 C ATOM 806 C LYS A 50 -1.203 -9.669 -3.732 1.00 0.00 C ATOM 807 O LYS A 50 0.028 -9.625 -3.673 1.00 0.00 O ATOM 808 CB LYS A 50 -1.092 -11.773 -2.382 1.00 0.00 C ATOM 809 CG LYS A 50 -1.789 -13.020 -1.866 1.00 0.00 C ATOM 810 CD LYS A 50 -0.791 -14.048 -1.380 1.00 0.00 C ATOM 811 CE LYS A 50 -1.475 -15.173 -0.613 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.763 -14.789 0.795 1.00 0.00 N ATOM 0 H LYS A 50 -3.365 -11.975 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.862 -10.614 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.188 -12.067 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.778 -11.165 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.463 -12.752 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.401 -13.451 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.251 -14.463 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.053 -13.565 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.405 -15.441 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.840 -16.059 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.228 -15.581 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.873 -14.558 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.390 -13.959 0.807 1.00 0.00 H new ATOM 826 N THR A 51 -1.941 -8.649 -4.158 1.00 0.00 N ATOM 827 CA THR A 51 -1.330 -7.399 -4.591 1.00 0.00 C ATOM 828 C THR A 51 -2.217 -6.205 -4.243 1.00 0.00 C ATOM 829 O THR A 51 -3.401 -6.177 -4.577 1.00 0.00 O ATOM 830 CB THR A 51 -1.044 -7.444 -6.105 1.00 0.00 C ATOM 831 OG1 THR A 51 0.210 -6.854 -6.393 1.00 0.00 O ATOM 832 CG2 THR A 51 -2.085 -6.734 -6.950 1.00 0.00 C ATOM 0 H THR A 51 -2.959 -8.664 -4.212 1.00 0.00 H new ATOM 0 HA THR A 51 -0.386 -7.277 -4.061 1.00 0.00 H new ATOM 0 HB THR A 51 -1.060 -8.503 -6.362 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.358 -6.092 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.813 -6.810 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.059 -7.197 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.132 -5.684 -6.663 1.00 0.00 H new ATOM 840 N PHE A 52 -1.626 -5.218 -3.577 1.00 0.00 N ATOM 841 CA PHE A 52 -2.350 -4.016 -3.189 1.00 0.00 C ATOM 842 C PHE A 52 -2.103 -2.900 -4.196 1.00 0.00 C ATOM 843 O PHE A 52 -1.002 -2.756 -4.724 1.00 0.00 O ATOM 844 CB PHE A 52 -1.923 -3.574 -1.790 1.00 0.00 C ATOM 845 CG PHE A 52 -2.935 -3.877 -0.723 1.00 0.00 C ATOM 846 CD1 PHE A 52 -3.931 -2.967 -0.422 1.00 0.00 C ATOM 847 CD2 PHE A 52 -2.885 -5.070 -0.022 1.00 0.00 C ATOM 848 CE1 PHE A 52 -4.863 -3.238 0.562 1.00 0.00 C ATOM 849 CE2 PHE A 52 -3.814 -5.349 0.963 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.805 -4.431 1.256 1.00 0.00 C ATOM 0 H PHE A 52 -0.646 -5.229 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.417 -4.239 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.983 -4.064 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.731 -2.501 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.982 -2.033 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.112 -5.790 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.636 -2.518 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.766 -6.283 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.532 -4.646 2.025 1.00 0.00 H new ATOM 860 N THR A 53 -3.138 -2.124 -4.469 1.00 0.00 N ATOM 861 CA THR A 53 -3.036 -1.028 -5.428 1.00 0.00 C ATOM 862 C THR A 53 -3.864 0.184 -5.006 1.00 0.00 C ATOM 863 O THR A 53 -4.992 0.045 -4.534 1.00 0.00 O ATOM 864 CB THR A 53 -3.480 -1.498 -6.813 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.835 -2.710 -7.163 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.195 -0.493 -7.908 1.00 0.00 C ATOM 0 H THR A 53 -4.059 -2.229 -4.043 1.00 0.00 H new ATOM 0 HA THR A 53 -1.990 -0.721 -5.459 1.00 0.00 H new ATOM 0 HB THR A 53 -4.559 -1.632 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.134 -2.995 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.535 -0.890 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.721 0.437 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.123 -0.301 -7.956 1.00 0.00 H new ATOM 874 N VAL A 54 -3.303 1.375 -5.207 1.00 0.00 N ATOM 875 CA VAL A 54 -3.999 2.618 -4.877 1.00 0.00 C ATOM 876 C VAL A 54 -4.094 3.523 -6.104 1.00 0.00 C ATOM 877 O VAL A 54 -3.144 3.631 -6.880 1.00 0.00 O ATOM 878 CB VAL A 54 -3.325 3.378 -3.698 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.662 4.678 -4.166 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.358 3.681 -2.617 1.00 0.00 C ATOM 0 H VAL A 54 -2.369 1.506 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.004 2.344 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.545 2.735 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.203 5.179 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.897 4.450 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.414 5.331 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.879 4.213 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.152 4.299 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.782 2.747 -2.247 1.00 0.00 H new ATOM 890 N THR A 55 -5.239 4.173 -6.271 1.00 0.00 N ATOM 891 CA THR A 55 -5.447 5.069 -7.403 1.00 0.00 C ATOM 892 C THR A 55 -6.008 6.411 -6.942 1.00 0.00 C ATOM 893 O THR A 55 -6.699 6.491 -5.926 1.00 0.00 O ATOM 894 CB THR A 55 -6.383 4.430 -8.429 1.00 0.00 C ATOM 895 OG1 THR A 55 -5.870 3.186 -8.869 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.608 5.292 -9.653 1.00 0.00 C ATOM 0 H THR A 55 -6.036 4.097 -5.639 1.00 0.00 H new ATOM 0 HA THR A 55 -4.480 5.245 -7.873 1.00 0.00 H new ATOM 0 HB THR A 55 -7.335 4.305 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.484 2.792 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.281 4.780 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.050 6.242 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.655 5.476 -10.149 1.00 0.00 H new ATOM 904 N GLU A 56 -5.704 7.463 -7.695 1.00 0.00 N ATOM 905 CA GLU A 56 -6.176 8.803 -7.364 1.00 0.00 C ATOM 906 C GLU A 56 -7.618 8.998 -7.820 1.00 0.00 C ATOM 907 O GLU A 56 -8.310 9.863 -7.239 1.00 0.00 O ATOM 908 CB GLU A 56 -5.278 9.860 -8.010 1.00 0.00 C ATOM 909 CG GLU A 56 -5.111 9.682 -9.512 1.00 0.00 C ATOM 910 CD GLU A 56 -3.657 9.626 -9.936 1.00 0.00 C ATOM 911 OE1 GLU A 56 -3.074 10.699 -10.202 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.100 8.510 -10.002 1.00 0.00 O ATOM 913 OXT GLU A 56 -8.046 8.287 -8.754 1.00 0.00 O ATOM 0 H GLU A 56 -5.133 7.414 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.136 8.917 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.695 10.848 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.296 9.829 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.612 8.765 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.604 10.505 -10.028 1.00 0.00 H new