USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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: X 3 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: X 18 THR OG1 : rot 180:sc= -0.242 USER MOD Set 2.1: X 8 ASN : amide:sc= -0.584! C(o=-0.58!,f=-7.8!) USER MOD Set 2.2: X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -150:sc= -0.153 (180deg=-0.985) USER MOD Single : X 2 GLN : amide:sc= -6.48! C(o=-6.5!,f=-2.3!) USER MOD Single : X 4 LYS NZ :NH3+ -157:sc= -0.298 (180deg=-1.6!) USER MOD Single : X 10 LYS NZ :NH3+ -147:sc= -2.02! (180deg=-2.72!) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ 164:sc= -0.851 (180deg=-1.53!) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.248 USER MOD Single : X 17 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ -165:sc= -0.231 (180deg=-1.07!) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.03) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 37 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.6!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.577 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ -138:sc= -0.435 (180deg=-0.535) USER MOD Single : X 51 THR OG1 : rot 74:sc= 0.681 USER MOD Single : X 55 THR OG1 : rot 10:sc= 0.93! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -13.517 6.192 15.004 1.00 0.00 N ATOM 2 CA MET X 1 -14.342 7.369 15.398 1.00 0.00 C ATOM 3 C MET X 1 -15.232 7.776 14.229 1.00 0.00 C ATOM 4 O MET X 1 -16.360 7.299 14.099 1.00 0.00 O ATOM 5 CB MET X 1 -13.423 8.533 15.778 1.00 0.00 C ATOM 6 CG MET X 1 -12.576 8.146 16.990 1.00 0.00 C ATOM 7 SD MET X 1 -11.233 9.343 17.195 1.00 0.00 S ATOM 8 CE MET X 1 -10.835 8.950 18.916 1.00 0.00 C ATOM 0 H1 MET X 1 -13.316 5.612 15.844 1.00 0.00 H new ATOM 0 H2 MET X 1 -14.036 5.622 14.306 1.00 0.00 H new ATOM 0 H3 MET X 1 -12.622 6.519 14.587 1.00 0.00 H new ATOM 0 HA MET X 1 -14.965 7.109 16.254 1.00 0.00 H new ATOM 0 HB2 MET X 1 -12.777 8.789 14.938 1.00 0.00 H new ATOM 0 HB3 MET X 1 -14.017 9.419 16.005 1.00 0.00 H new ATOM 0 HG2 MET X 1 -13.195 8.121 17.887 1.00 0.00 H new ATOM 0 HG3 MET X 1 -12.167 7.144 16.857 1.00 0.00 H new ATOM 0 HE1 MET X 1 -10.016 9.584 19.254 1.00 0.00 H new ATOM 0 HE2 MET X 1 -11.711 9.125 19.541 1.00 0.00 H new ATOM 0 HE3 MET X 1 -10.539 7.904 18.991 1.00 0.00 H new ATOM 20 N GLN X 2 -14.716 8.659 13.381 1.00 0.00 N ATOM 21 CA GLN X 2 -15.472 9.125 12.225 1.00 0.00 C ATOM 22 C GLN X 2 -15.096 8.325 10.983 1.00 0.00 C ATOM 23 O GLN X 2 -13.929 7.993 10.774 1.00 0.00 O ATOM 24 CB GLN X 2 -15.194 10.608 11.983 1.00 0.00 C ATOM 25 CG GLN X 2 -15.709 11.003 10.597 1.00 0.00 C ATOM 26 CD GLN X 2 -14.612 10.808 9.556 1.00 0.00 C ATOM 27 OE1 GLN X 2 -13.534 11.391 9.671 1.00 0.00 O ATOM 28 NE2 GLN X 2 -14.823 10.015 8.540 1.00 0.00 N ATOM 0 H GLN X 2 -13.784 9.064 13.471 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.534 8.984 12.427 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -15.682 11.210 12.749 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -14.124 10.805 12.055 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -16.579 10.399 10.338 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -16.034 12.043 10.604 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -15.717 9.533 8.446 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -14.094 9.878 7.840 1.00 0.00 H new ATOM 37 N TYR X 3 -16.093 8.020 10.161 1.00 0.00 N ATOM 38 CA TYR X 3 -15.857 7.260 8.941 1.00 0.00 C ATOM 39 C TYR X 3 -16.770 7.748 7.823 1.00 0.00 C ATOM 40 O TYR X 3 -17.718 8.497 8.064 1.00 0.00 O ATOM 41 CB TYR X 3 -16.113 5.773 9.193 1.00 0.00 C ATOM 42 CG TYR X 3 -17.600 5.524 9.268 1.00 0.00 C ATOM 43 CD1 TYR X 3 -18.327 5.272 8.098 1.00 0.00 C ATOM 44 CD2 TYR X 3 -18.253 5.548 10.506 1.00 0.00 C ATOM 45 CE1 TYR X 3 -19.705 5.043 8.166 1.00 0.00 C ATOM 46 CE2 TYR X 3 -19.633 5.319 10.574 1.00 0.00 C ATOM 47 CZ TYR X 3 -20.359 5.066 9.404 1.00 0.00 C ATOM 48 OH TYR X 3 -21.718 4.841 9.472 1.00 0.00 O ATOM 0 H TYR X 3 -17.066 8.285 10.316 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.819 7.405 8.641 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -15.674 5.177 8.393 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -15.634 5.463 10.122 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -17.823 5.254 7.143 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -17.693 5.743 11.408 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -20.265 4.848 7.263 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -20.137 5.338 11.529 1.00 0.00 H new ATOM 0 HH TYR X 3 -21.973 4.655 10.400 1.00 0.00 H new ATOM 58 N LYS X 4 -16.483 7.312 6.602 1.00 0.00 N ATOM 59 CA LYS X 4 -17.289 7.701 5.454 1.00 0.00 C ATOM 60 C LYS X 4 -17.743 6.460 4.696 1.00 0.00 C ATOM 61 O LYS X 4 -16.977 5.509 4.536 1.00 0.00 O ATOM 62 CB LYS X 4 -16.479 8.613 4.530 1.00 0.00 C ATOM 63 CG LYS X 4 -16.289 9.975 5.201 1.00 0.00 C ATOM 64 CD LYS X 4 -16.124 11.057 4.133 1.00 0.00 C ATOM 65 CE LYS X 4 -14.722 10.965 3.526 1.00 0.00 C ATOM 66 NZ LYS X 4 -13.713 10.882 4.619 1.00 0.00 N ATOM 0 H LYS X 4 -15.703 6.693 6.383 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.167 8.244 5.804 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.510 8.163 4.314 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -16.994 8.733 3.577 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -17.147 10.203 5.833 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -15.413 9.953 5.849 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -16.878 10.933 3.355 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -16.278 12.043 4.572 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -14.650 10.089 2.882 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -14.526 11.837 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -12.790 11.205 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -14.010 11.486 5.412 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -13.634 9.897 4.944 1.00 0.00 H new ATOM 80 N LEU X 5 -18.990 6.466 4.241 1.00 0.00 N ATOM 81 CA LEU X 5 -19.524 5.323 3.517 1.00 0.00 C ATOM 82 C LEU X 5 -19.714 5.659 2.044 1.00 0.00 C ATOM 83 O LEU X 5 -20.652 6.360 1.673 1.00 0.00 O ATOM 84 CB LEU X 5 -20.866 4.909 4.126 1.00 0.00 C ATOM 85 CG LEU X 5 -21.031 3.391 4.034 1.00 0.00 C ATOM 86 CD1 LEU X 5 -22.206 2.951 4.910 1.00 0.00 C ATOM 87 CD2 LEU X 5 -21.305 2.996 2.582 1.00 0.00 C ATOM 0 H LEU X 5 -19.643 7.241 4.359 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.814 4.500 3.597 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -20.917 5.227 5.167 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -21.682 5.405 3.601 1.00 0.00 H new ATOM 0 HG LEU X 5 -20.118 2.905 4.379 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -22.324 1.869 4.844 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -22.014 3.233 5.945 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -23.119 3.437 4.565 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -21.423 1.914 2.515 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -22.218 3.482 2.239 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -20.470 3.309 1.956 1.00 0.00 H new ATOM 99 N ILE X 6 -18.823 5.140 1.208 1.00 0.00 N ATOM 100 CA ILE X 6 -18.910 5.377 -0.227 1.00 0.00 C ATOM 101 C ILE X 6 -19.448 4.132 -0.914 1.00 0.00 C ATOM 102 O ILE X 6 -18.773 3.106 -0.972 1.00 0.00 O ATOM 103 CB ILE X 6 -17.528 5.718 -0.791 1.00 0.00 C ATOM 104 CG1 ILE X 6 -17.134 7.133 -0.360 1.00 0.00 C ATOM 105 CG2 ILE X 6 -17.570 5.649 -2.319 1.00 0.00 C ATOM 106 CD1 ILE X 6 -15.621 7.314 -0.506 1.00 0.00 C ATOM 0 H ILE X 6 -18.038 4.557 1.496 1.00 0.00 H new ATOM 0 HA ILE X 6 -19.582 6.215 -0.409 1.00 0.00 H new ATOM 0 HB ILE X 6 -16.797 5.004 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -17.659 7.869 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -17.433 7.305 0.674 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -16.586 5.892 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -17.851 4.643 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -18.302 6.363 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -15.344 8.322 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -15.105 6.588 0.123 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -15.335 7.161 -1.547 1.00 0.00 H new ATOM 118 N LEU X 7 -20.668 4.215 -1.427 1.00 0.00 N ATOM 119 CA LEU X 7 -21.267 3.075 -2.090 1.00 0.00 C ATOM 120 C LEU X 7 -21.314 3.301 -3.589 1.00 0.00 C ATOM 121 O LEU X 7 -22.147 4.057 -4.089 1.00 0.00 O ATOM 122 CB LEU X 7 -22.687 2.861 -1.562 1.00 0.00 C ATOM 123 CG LEU X 7 -23.164 1.450 -1.916 1.00 0.00 C ATOM 124 CD1 LEU X 7 -23.505 0.689 -0.633 1.00 0.00 C ATOM 125 CD2 LEU X 7 -24.411 1.542 -2.800 1.00 0.00 C ATOM 0 H LEU X 7 -21.253 5.050 -1.396 1.00 0.00 H new ATOM 0 HA LEU X 7 -20.662 2.192 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -22.708 3.002 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.361 3.602 -1.993 1.00 0.00 H new ATOM 0 HG LEU X 7 -22.375 0.923 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -23.845 -0.316 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -22.619 0.625 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -24.295 1.215 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -24.752 0.538 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -25.200 2.069 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -24.170 2.085 -3.714 1.00 0.00 H new ATOM 137 N ASN X 8 -20.432 2.622 -4.306 1.00 0.00 N ATOM 138 CA ASN X 8 -20.402 2.739 -5.750 1.00 0.00 C ATOM 139 C ASN X 8 -20.702 1.385 -6.366 1.00 0.00 C ATOM 140 O ASN X 8 -19.909 0.453 -6.249 1.00 0.00 O ATOM 141 CB ASN X 8 -19.028 3.223 -6.213 1.00 0.00 C ATOM 142 CG ASN X 8 -17.946 2.704 -5.270 1.00 0.00 C ATOM 143 OD1 ASN X 8 -18.182 1.765 -4.511 1.00 0.00 O ATOM 144 ND2 ASN X 8 -16.766 3.261 -5.274 1.00 0.00 N ATOM 0 H ASN X 8 -19.734 1.990 -3.913 1.00 0.00 H new ATOM 0 HA ASN X 8 -21.153 3.463 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -18.834 2.876 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -19.007 4.312 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -16.038 2.918 -4.647 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -16.572 4.039 -5.904 1.00 0.00 H new ATOM 151 N GLY X 9 -21.848 1.280 -7.016 1.00 0.00 N ATOM 152 CA GLY X 9 -22.238 0.020 -7.636 1.00 0.00 C ATOM 153 C GLY X 9 -22.855 0.238 -9.009 1.00 0.00 C ATOM 154 O GLY X 9 -22.579 1.234 -9.677 1.00 0.00 O ATOM 0 H GLY X 9 -22.519 2.040 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -21.365 -0.627 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -22.951 -0.496 -6.994 1.00 0.00 H new ATOM 158 N LYS X 10 -23.694 -0.705 -9.424 1.00 0.00 N ATOM 159 CA LYS X 10 -24.349 -0.610 -10.725 1.00 0.00 C ATOM 160 C LYS X 10 -25.058 0.734 -10.862 1.00 0.00 C ATOM 161 O LYS X 10 -24.464 1.717 -11.307 1.00 0.00 O ATOM 162 CB LYS X 10 -25.358 -1.755 -10.892 1.00 0.00 C ATOM 163 CG LYS X 10 -24.916 -2.667 -12.040 1.00 0.00 C ATOM 164 CD LYS X 10 -26.054 -3.624 -12.398 1.00 0.00 C ATOM 165 CE LYS X 10 -26.523 -4.354 -11.139 1.00 0.00 C ATOM 166 NZ LYS X 10 -25.340 -4.735 -10.317 1.00 0.00 N ATOM 0 H LYS X 10 -23.935 -1.537 -8.885 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.591 -0.689 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.430 -2.327 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -26.350 -1.352 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -24.643 -2.069 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -24.030 -3.231 -11.750 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -26.883 -3.071 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -25.717 -4.344 -13.144 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -27.190 -3.714 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -27.092 -5.243 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -25.532 -5.632 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -24.511 -4.849 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -25.150 -3.991 -9.616 1.00 0.00 H new ATOM 180 N THR X 11 -26.326 0.773 -10.472 1.00 0.00 N ATOM 181 CA THR X 11 -27.103 2.002 -10.549 1.00 0.00 C ATOM 182 C THR X 11 -27.416 2.516 -9.148 1.00 0.00 C ATOM 183 O THR X 11 -28.171 3.475 -8.983 1.00 0.00 O ATOM 184 CB THR X 11 -28.407 1.750 -11.311 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.132 0.977 -12.471 1.00 0.00 O ATOM 186 CG2 THR X 11 -29.028 3.085 -11.723 1.00 0.00 C ATOM 0 H THR X 11 -26.836 -0.029 -10.101 1.00 0.00 H new ATOM 0 HA THR X 11 -26.518 2.753 -11.079 1.00 0.00 H new ATOM 0 HB THR X 11 -29.104 1.211 -10.669 1.00 0.00 H new ATOM 0 HG1 THR X 11 -28.965 0.813 -12.960 1.00 0.00 H new ATOM 0 HG21 THR X 11 -29.956 2.903 -12.265 1.00 0.00 H new ATOM 0 HG22 THR X 11 -29.238 3.679 -10.833 1.00 0.00 H new ATOM 0 HG23 THR X 11 -28.333 3.627 -12.365 1.00 0.00 H new ATOM 194 N LEU X 12 -26.833 1.871 -8.142 1.00 0.00 N ATOM 195 CA LEU X 12 -27.060 2.273 -6.758 1.00 0.00 C ATOM 196 C LEU X 12 -25.857 3.038 -6.221 1.00 0.00 C ATOM 197 O LEU X 12 -24.739 2.525 -6.204 1.00 0.00 O ATOM 198 CB LEU X 12 -27.309 1.042 -5.886 1.00 0.00 C ATOM 199 CG LEU X 12 -28.687 0.461 -6.203 1.00 0.00 C ATOM 200 CD1 LEU X 12 -28.687 -0.102 -7.625 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.005 -0.661 -5.213 1.00 0.00 C ATOM 0 H LEU X 12 -26.206 1.075 -8.257 1.00 0.00 H new ATOM 0 HA LEU X 12 -27.936 2.921 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -26.537 0.294 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.251 1.313 -4.832 1.00 0.00 H new ATOM 0 HG LEU X 12 -29.440 1.245 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -29.669 -0.517 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -28.457 0.695 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -27.935 -0.886 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -29.987 -1.077 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.252 -1.444 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.003 -0.263 -4.198 1.00 0.00 H new ATOM 213 N LYS X 13 -26.094 4.268 -5.781 1.00 0.00 N ATOM 214 CA LYS X 13 -25.021 5.095 -5.244 1.00 0.00 C ATOM 215 C LYS X 13 -25.533 5.922 -4.069 1.00 0.00 C ATOM 216 O LYS X 13 -26.645 6.446 -4.108 1.00 0.00 O ATOM 217 CB LYS X 13 -24.494 6.024 -6.341 1.00 0.00 C ATOM 218 CG LYS X 13 -23.086 6.519 -5.991 1.00 0.00 C ATOM 219 CD LYS X 13 -22.207 6.453 -7.243 1.00 0.00 C ATOM 220 CE LYS X 13 -20.971 7.336 -7.050 1.00 0.00 C ATOM 221 NZ LYS X 13 -20.771 7.603 -5.598 1.00 0.00 N ATOM 0 H LYS X 13 -27.012 4.712 -5.785 1.00 0.00 H new ATOM 0 HA LYS X 13 -24.214 4.450 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -24.474 5.497 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -25.166 6.874 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -23.129 7.541 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -22.658 5.906 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -21.905 5.423 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -22.772 6.786 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -20.091 6.844 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -21.094 8.275 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -19.807 7.961 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -21.461 8.312 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -20.905 6.722 -5.061 1.00 0.00 H new ATOM 235 N GLY X 14 -24.719 6.037 -3.025 1.00 0.00 N ATOM 236 CA GLY X 14 -25.115 6.806 -1.851 1.00 0.00 C ATOM 237 C GLY X 14 -23.933 7.035 -0.920 1.00 0.00 C ATOM 238 O GLY X 14 -22.993 6.240 -0.886 1.00 0.00 O ATOM 0 H GLY X 14 -23.793 5.614 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -25.527 7.766 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -25.905 6.279 -1.317 1.00 0.00 H new ATOM 242 N GLU X 15 -23.989 8.124 -0.161 1.00 0.00 N ATOM 243 CA GLU X 15 -22.916 8.443 0.773 1.00 0.00 C ATOM 244 C GLU X 15 -23.487 9.005 2.071 1.00 0.00 C ATOM 245 O GLU X 15 -24.418 9.811 2.054 1.00 0.00 O ATOM 246 CB GLU X 15 -21.960 9.461 0.147 1.00 0.00 C ATOM 247 CG GLU X 15 -22.695 10.257 -0.933 1.00 0.00 C ATOM 248 CD GLU X 15 -22.711 9.471 -2.239 1.00 0.00 C ATOM 249 OE1 GLU X 15 -21.648 9.060 -2.673 1.00 0.00 O ATOM 250 OE2 GLU X 15 -23.787 9.290 -2.786 1.00 0.00 O ATOM 0 H GLU X 15 -24.758 8.794 -0.173 1.00 0.00 H new ATOM 0 HA GLU X 15 -22.370 7.527 0.997 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -21.578 10.135 0.913 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -21.100 8.950 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -23.716 10.465 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -22.206 11.219 -1.084 1.00 0.00 H new ATOM 257 N THR X 16 -22.920 8.574 3.192 1.00 0.00 N ATOM 258 CA THR X 16 -23.376 9.041 4.496 1.00 0.00 C ATOM 259 C THR X 16 -22.195 9.209 5.444 1.00 0.00 C ATOM 260 O THR X 16 -21.092 8.735 5.166 1.00 0.00 O ATOM 261 CB THR X 16 -24.376 8.043 5.091 1.00 0.00 C ATOM 262 OG1 THR X 16 -24.814 8.513 6.358 1.00 0.00 O ATOM 263 CG2 THR X 16 -23.705 6.678 5.255 1.00 0.00 C ATOM 0 H THR X 16 -22.149 7.907 3.225 1.00 0.00 H new ATOM 0 HA THR X 16 -23.864 10.007 4.366 1.00 0.00 H new ATOM 0 HB THR X 16 -25.232 7.945 4.423 1.00 0.00 H new ATOM 0 HG1 THR X 16 -25.455 7.877 6.739 1.00 0.00 H new ATOM 0 HG21 THR X 16 -24.418 5.971 5.678 1.00 0.00 H new ATOM 0 HG22 THR X 16 -23.370 6.318 4.282 1.00 0.00 H new ATOM 0 HG23 THR X 16 -22.848 6.772 5.922 1.00 0.00 H new ATOM 271 N THR X 17 -22.428 9.889 6.562 1.00 0.00 N ATOM 272 CA THR X 17 -21.370 10.115 7.539 1.00 0.00 C ATOM 273 C THR X 17 -21.900 9.946 8.959 1.00 0.00 C ATOM 274 O THR X 17 -22.952 10.481 9.308 1.00 0.00 O ATOM 275 CB THR X 17 -20.800 11.523 7.369 1.00 0.00 C ATOM 276 OG1 THR X 17 -21.444 12.405 8.276 1.00 0.00 O ATOM 277 CG2 THR X 17 -21.038 11.998 5.935 1.00 0.00 C ATOM 0 H THR X 17 -23.332 10.290 6.812 1.00 0.00 H new ATOM 0 HA THR X 17 -20.584 9.379 7.371 1.00 0.00 H new ATOM 0 HB THR X 17 -19.729 11.511 7.573 1.00 0.00 H new ATOM 0 HG1 THR X 17 -21.079 13.308 8.169 1.00 0.00 H new ATOM 0 HG21 THR X 17 -20.632 13.002 5.812 1.00 0.00 H new ATOM 0 HG22 THR X 17 -20.544 11.319 5.240 1.00 0.00 H new ATOM 0 HG23 THR X 17 -22.108 12.012 5.729 1.00 0.00 H new ATOM 285 N THR X 18 -21.161 9.199 9.773 1.00 0.00 N ATOM 286 CA THR X 18 -21.559 8.962 11.156 1.00 0.00 C ATOM 287 C THR X 18 -20.330 8.753 12.036 1.00 0.00 C ATOM 288 O THR X 18 -19.383 8.070 11.643 1.00 0.00 O ATOM 289 CB THR X 18 -22.460 7.727 11.237 1.00 0.00 C ATOM 290 OG1 THR X 18 -23.277 7.662 10.076 1.00 0.00 O ATOM 291 CG2 THR X 18 -23.346 7.818 12.481 1.00 0.00 C ATOM 0 H THR X 18 -20.287 8.749 9.500 1.00 0.00 H new ATOM 0 HA THR X 18 -22.106 9.835 11.512 1.00 0.00 H new ATOM 0 HB THR X 18 -21.842 6.831 11.299 1.00 0.00 H new ATOM 0 HG1 THR X 18 -23.853 6.871 10.125 1.00 0.00 H new ATOM 0 HG21 THR X 18 -23.987 6.938 12.537 1.00 0.00 H new ATOM 0 HG22 THR X 18 -22.719 7.867 13.371 1.00 0.00 H new ATOM 0 HG23 THR X 18 -23.964 8.714 12.423 1.00 0.00 H new ATOM 299 N GLU X 19 -20.349 9.343 13.227 1.00 0.00 N ATOM 300 CA GLU X 19 -19.228 9.210 14.149 1.00 0.00 C ATOM 301 C GLU X 19 -19.633 8.396 15.374 1.00 0.00 C ATOM 302 O GLU X 19 -20.539 8.778 16.112 1.00 0.00 O ATOM 303 CB GLU X 19 -18.745 10.593 14.592 1.00 0.00 C ATOM 304 CG GLU X 19 -17.752 10.442 15.746 1.00 0.00 C ATOM 305 CD GLU X 19 -17.054 11.772 16.012 1.00 0.00 C ATOM 306 OE1 GLU X 19 -16.699 12.433 15.051 1.00 0.00 O ATOM 307 OE2 GLU X 19 -16.885 12.108 17.173 1.00 0.00 O ATOM 0 H GLU X 19 -21.121 9.913 13.574 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.420 8.692 13.632 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -18.272 11.109 13.757 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -19.593 11.203 14.905 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -18.273 10.110 16.644 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.014 9.677 15.504 1.00 0.00 H new ATOM 314 N ALA X 20 -18.953 7.273 15.582 1.00 0.00 N ATOM 315 CA ALA X 20 -19.249 6.413 16.722 1.00 0.00 C ATOM 316 C ALA X 20 -17.988 5.694 17.190 1.00 0.00 C ATOM 317 O ALA X 20 -16.956 5.730 16.519 1.00 0.00 O ATOM 318 CB ALA X 20 -20.314 5.384 16.339 1.00 0.00 C ATOM 0 H ALA X 20 -18.199 6.939 14.981 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.623 7.035 17.535 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.529 4.746 17.196 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -21.224 5.899 16.033 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.949 4.772 15.514 1.00 0.00 H new ATOM 324 N VAL X 21 -18.077 5.043 18.344 1.00 0.00 N ATOM 325 CA VAL X 21 -16.936 4.320 18.890 1.00 0.00 C ATOM 326 C VAL X 21 -17.147 2.813 18.768 1.00 0.00 C ATOM 327 O VAL X 21 -16.503 2.029 19.463 1.00 0.00 O ATOM 328 CB VAL X 21 -16.737 4.694 20.360 1.00 0.00 C ATOM 329 CG1 VAL X 21 -16.431 6.189 20.470 1.00 0.00 C ATOM 330 CG2 VAL X 21 -18.011 4.377 21.146 1.00 0.00 C ATOM 0 H VAL X 21 -18.921 5.001 18.916 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.048 4.597 18.322 1.00 0.00 H new ATOM 0 HB VAL X 21 -15.905 4.121 20.769 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -16.289 6.455 21.517 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -15.523 6.417 19.912 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.263 6.762 20.059 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -17.868 4.644 22.193 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -18.843 4.949 20.736 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -18.230 3.312 21.070 1.00 0.00 H new ATOM 340 N ASP X 22 -18.054 2.417 17.878 1.00 0.00 N ATOM 341 CA ASP X 22 -18.341 1.001 17.674 1.00 0.00 C ATOM 342 C ASP X 22 -19.005 0.777 16.317 1.00 0.00 C ATOM 343 O ASP X 22 -20.122 0.265 16.239 1.00 0.00 O ATOM 344 CB ASP X 22 -19.261 0.489 18.784 1.00 0.00 C ATOM 345 CG ASP X 22 -20.553 1.300 18.807 1.00 0.00 C ATOM 346 OD1 ASP X 22 -20.481 2.483 19.093 1.00 0.00 O ATOM 347 OD2 ASP X 22 -21.595 0.725 18.539 1.00 0.00 O ATOM 0 H ASP X 22 -18.598 3.050 17.292 1.00 0.00 H new ATOM 0 HA ASP X 22 -17.399 0.452 17.700 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -19.487 -0.565 18.623 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -18.758 0.564 19.748 1.00 0.00 H new ATOM 352 N ALA X 23 -18.311 1.166 15.252 1.00 0.00 N ATOM 353 CA ALA X 23 -18.842 1.006 13.902 1.00 0.00 C ATOM 354 C ALA X 23 -18.809 -0.460 13.476 1.00 0.00 C ATOM 355 O ALA X 23 -19.585 -0.884 12.619 1.00 0.00 O ATOM 356 CB ALA X 23 -18.024 1.844 12.917 1.00 0.00 C ATOM 0 H ALA X 23 -17.385 1.592 15.296 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.877 1.347 13.899 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -18.426 1.719 11.912 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -18.077 2.895 13.202 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.985 1.515 12.935 1.00 0.00 H new ATOM 362 N ALA X 24 -17.905 -1.228 14.075 1.00 0.00 N ATOM 363 CA ALA X 24 -17.780 -2.644 13.744 1.00 0.00 C ATOM 364 C ALA X 24 -19.081 -3.386 14.034 1.00 0.00 C ATOM 365 O ALA X 24 -19.537 -4.198 13.229 1.00 0.00 O ATOM 366 CB ALA X 24 -16.642 -3.271 14.552 1.00 0.00 C ATOM 0 H ALA X 24 -17.253 -0.898 14.786 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.561 -2.727 12.680 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -16.555 -4.328 14.299 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -15.706 -2.764 14.317 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -16.852 -3.169 15.617 1.00 0.00 H new ATOM 372 N THR X 25 -19.671 -3.105 15.191 1.00 0.00 N ATOM 373 CA THR X 25 -20.918 -3.755 15.581 1.00 0.00 C ATOM 374 C THR X 25 -22.094 -3.187 14.792 1.00 0.00 C ATOM 375 O THR X 25 -22.935 -3.933 14.290 1.00 0.00 O ATOM 376 CB THR X 25 -21.162 -3.553 17.078 1.00 0.00 C ATOM 377 OG1 THR X 25 -19.938 -3.719 17.779 1.00 0.00 O ATOM 378 CG2 THR X 25 -22.182 -4.577 17.576 1.00 0.00 C ATOM 0 H THR X 25 -19.309 -2.436 15.871 1.00 0.00 H new ATOM 0 HA THR X 25 -20.833 -4.820 15.364 1.00 0.00 H new ATOM 0 HB THR X 25 -21.549 -2.549 17.252 1.00 0.00 H new ATOM 0 HG1 THR X 25 -20.090 -3.589 18.738 1.00 0.00 H new ATOM 0 HG21 THR X 25 -22.354 -4.431 18.642 1.00 0.00 H new ATOM 0 HG22 THR X 25 -23.120 -4.448 17.036 1.00 0.00 H new ATOM 0 HG23 THR X 25 -21.800 -5.584 17.405 1.00 0.00 H new ATOM 386 N ALA X 26 -22.149 -1.863 14.693 1.00 0.00 N ATOM 387 CA ALA X 26 -23.230 -1.204 13.968 1.00 0.00 C ATOM 388 C ALA X 26 -23.156 -1.517 12.477 1.00 0.00 C ATOM 389 O ALA X 26 -24.181 -1.688 11.818 1.00 0.00 O ATOM 390 CB ALA X 26 -23.150 0.309 14.178 1.00 0.00 C ATOM 0 H ALA X 26 -21.463 -1.229 15.102 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.178 -1.578 14.355 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.960 0.795 13.634 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -23.240 0.534 15.241 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -22.193 0.677 13.809 1.00 0.00 H new ATOM 396 N GLU X 27 -21.938 -1.582 11.948 1.00 0.00 N ATOM 397 CA GLU X 27 -21.749 -1.866 10.530 1.00 0.00 C ATOM 398 C GLU X 27 -22.392 -3.198 10.151 1.00 0.00 C ATOM 399 O GLU X 27 -22.994 -3.322 9.085 1.00 0.00 O ATOM 400 CB GLU X 27 -20.257 -1.896 10.198 1.00 0.00 C ATOM 401 CG GLU X 27 -19.741 -0.464 10.051 1.00 0.00 C ATOM 402 CD GLU X 27 -19.894 0.000 8.606 1.00 0.00 C ATOM 403 OE1 GLU X 27 -20.398 -0.772 7.807 1.00 0.00 O ATOM 404 OE2 GLU X 27 -19.506 1.121 8.320 1.00 0.00 O ATOM 0 H GLU X 27 -21.075 -1.443 12.474 1.00 0.00 H new ATOM 0 HA GLU X 27 -22.231 -1.075 9.955 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -19.708 -2.413 10.985 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -20.090 -2.451 9.275 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -20.294 0.200 10.715 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -18.694 -0.414 10.349 1.00 0.00 H new ATOM 411 N LYS X 28 -22.267 -4.190 11.029 1.00 0.00 N ATOM 412 CA LYS X 28 -22.852 -5.502 10.766 1.00 0.00 C ATOM 413 C LYS X 28 -24.371 -5.395 10.688 1.00 0.00 C ATOM 414 O LYS X 28 -24.997 -5.931 9.773 1.00 0.00 O ATOM 415 CB LYS X 28 -22.469 -6.481 11.879 1.00 0.00 C ATOM 416 CG LYS X 28 -21.050 -7.016 11.649 1.00 0.00 C ATOM 417 CD LYS X 28 -21.081 -8.546 11.611 1.00 0.00 C ATOM 418 CE LYS X 28 -19.664 -9.089 11.802 1.00 0.00 C ATOM 419 NZ LYS X 28 -18.684 -8.149 11.188 1.00 0.00 N ATOM 0 H LYS X 28 -21.773 -4.113 11.918 1.00 0.00 H new ATOM 0 HA LYS X 28 -22.468 -5.868 9.814 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -22.525 -5.983 12.847 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -23.178 -7.309 11.905 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -20.650 -6.626 10.713 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -20.388 -6.675 12.445 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -21.737 -8.927 12.394 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -21.488 -8.889 10.660 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -19.450 -9.212 12.864 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -19.576 -10.074 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -17.764 -8.623 11.088 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -19.025 -7.855 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -18.578 -7.312 11.796 1.00 0.00 H new ATOM 433 N VAL X 29 -24.957 -4.696 11.654 1.00 0.00 N ATOM 434 CA VAL X 29 -26.403 -4.517 11.688 1.00 0.00 C ATOM 435 C VAL X 29 -26.860 -3.623 10.539 1.00 0.00 C ATOM 436 O VAL X 29 -27.883 -3.882 9.905 1.00 0.00 O ATOM 437 CB VAL X 29 -26.820 -3.896 13.023 1.00 0.00 C ATOM 438 CG1 VAL X 29 -28.344 -3.775 13.080 1.00 0.00 C ATOM 439 CG2 VAL X 29 -26.339 -4.786 14.171 1.00 0.00 C ATOM 0 H VAL X 29 -24.456 -4.246 12.420 1.00 0.00 H new ATOM 0 HA VAL X 29 -26.875 -5.493 11.580 1.00 0.00 H new ATOM 0 HB VAL X 29 -26.374 -2.906 13.116 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -28.639 -3.333 14.032 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -28.690 -3.142 12.263 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -28.791 -4.765 12.986 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -26.636 -4.345 15.122 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.785 -5.776 14.076 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -25.253 -4.872 14.134 1.00 0.00 H new ATOM 449 N PHE X 30 -26.097 -2.565 10.281 1.00 0.00 N ATOM 450 CA PHE X 30 -26.434 -1.630 9.212 1.00 0.00 C ATOM 451 C PHE X 30 -26.416 -2.324 7.852 1.00 0.00 C ATOM 452 O PHE X 30 -27.146 -1.937 6.941 1.00 0.00 O ATOM 453 CB PHE X 30 -25.436 -0.471 9.205 1.00 0.00 C ATOM 454 CG PHE X 30 -26.017 0.694 9.969 1.00 0.00 C ATOM 455 CD1 PHE X 30 -26.450 0.521 11.289 1.00 0.00 C ATOM 456 CD2 PHE X 30 -26.125 1.947 9.355 1.00 0.00 C ATOM 457 CE1 PHE X 30 -26.991 1.602 11.995 1.00 0.00 C ATOM 458 CE2 PHE X 30 -26.665 3.029 10.062 1.00 0.00 C ATOM 459 CZ PHE X 30 -27.098 2.856 11.382 1.00 0.00 C ATOM 0 H PHE X 30 -25.246 -2.334 10.794 1.00 0.00 H new ATOM 0 HA PHE X 30 -27.440 -1.251 9.395 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -24.495 -0.784 9.657 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -25.214 -0.174 8.180 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -26.367 -0.446 11.762 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -25.792 2.080 8.336 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -27.326 1.468 13.013 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -26.747 3.996 9.589 1.00 0.00 H new ATOM 0 HZ PHE X 30 -27.515 3.690 11.927 1.00 0.00 H new ATOM 469 N LYS X 31 -25.584 -3.351 7.724 1.00 0.00 N ATOM 470 CA LYS X 31 -25.489 -4.091 6.473 1.00 0.00 C ATOM 471 C LYS X 31 -26.822 -4.755 6.157 1.00 0.00 C ATOM 472 O LYS X 31 -27.361 -4.604 5.061 1.00 0.00 O ATOM 473 CB LYS X 31 -24.394 -5.153 6.578 1.00 0.00 C ATOM 474 CG LYS X 31 -24.160 -5.786 5.206 1.00 0.00 C ATOM 475 CD LYS X 31 -22.905 -6.659 5.252 1.00 0.00 C ATOM 476 CE LYS X 31 -22.606 -7.199 3.853 1.00 0.00 C ATOM 477 NZ LYS X 31 -22.411 -8.675 3.920 1.00 0.00 N ATOM 0 H LYS X 31 -24.970 -3.688 8.466 1.00 0.00 H new ATOM 0 HA LYS X 31 -25.239 -3.397 5.671 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -23.471 -4.703 6.944 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -24.683 -5.918 7.298 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -25.023 -6.387 4.919 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -24.047 -5.009 4.450 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -22.058 -6.078 5.617 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -23.049 -7.485 5.949 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -23.427 -6.960 3.177 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -21.713 -6.722 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -22.208 -9.042 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -21.614 -8.892 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -23.275 -9.123 4.286 1.00 0.00 H new ATOM 491 N GLN X 32 -27.352 -5.482 7.133 1.00 0.00 N ATOM 492 CA GLN X 32 -28.632 -6.157 6.961 1.00 0.00 C ATOM 493 C GLN X 32 -29.739 -5.130 6.760 1.00 0.00 C ATOM 494 O GLN X 32 -30.689 -5.360 6.012 1.00 0.00 O ATOM 495 CB GLN X 32 -28.943 -7.014 8.191 1.00 0.00 C ATOM 496 CG GLN X 32 -27.805 -8.010 8.418 1.00 0.00 C ATOM 497 CD GLN X 32 -27.620 -8.258 9.912 1.00 0.00 C ATOM 498 OE1 GLN X 32 -28.591 -8.519 10.623 1.00 0.00 O ATOM 499 NE2 GLN X 32 -26.426 -8.190 10.433 1.00 0.00 N ATOM 0 H GLN X 32 -26.919 -5.619 8.046 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.575 -6.800 6.083 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -29.066 -6.379 9.068 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -29.884 -7.546 8.049 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -28.025 -8.949 7.910 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -26.881 -7.624 7.988 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -25.623 -7.974 9.842 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -26.295 -8.353 11.431 1.00 0.00 H new ATOM 508 N TYR X 33 -29.601 -3.988 7.430 1.00 0.00 N ATOM 509 CA TYR X 33 -30.588 -2.922 7.318 1.00 0.00 C ATOM 510 C TYR X 33 -30.480 -2.249 5.953 1.00 0.00 C ATOM 511 O TYR X 33 -31.483 -1.836 5.372 1.00 0.00 O ATOM 512 CB TYR X 33 -30.366 -1.889 8.425 1.00 0.00 C ATOM 513 CG TYR X 33 -31.318 -0.733 8.244 1.00 0.00 C ATOM 514 CD1 TYR X 33 -32.688 -0.907 8.480 1.00 0.00 C ATOM 515 CD2 TYR X 33 -30.832 0.517 7.844 1.00 0.00 C ATOM 516 CE1 TYR X 33 -33.569 0.168 8.316 1.00 0.00 C ATOM 517 CE2 TYR X 33 -31.713 1.592 7.681 1.00 0.00 C ATOM 518 CZ TYR X 33 -33.082 1.418 7.916 1.00 0.00 C ATOM 519 OH TYR X 33 -33.950 2.478 7.757 1.00 0.00 O ATOM 0 H TYR X 33 -28.820 -3.780 8.052 1.00 0.00 H new ATOM 0 HA TYR X 33 -31.584 -3.351 7.423 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -30.520 -2.349 9.401 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -29.337 -1.532 8.400 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -33.064 -1.871 8.789 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -29.776 0.652 7.661 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -34.625 0.033 8.498 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -31.337 2.556 7.374 1.00 0.00 H new ATOM 0 HH TYR X 33 -33.449 3.272 7.477 1.00 0.00 H new ATOM 529 N ALA X 34 -29.255 -2.152 5.442 1.00 0.00 N ATOM 530 CA ALA X 34 -29.024 -1.542 4.142 1.00 0.00 C ATOM 531 C ALA X 34 -29.545 -2.460 3.046 1.00 0.00 C ATOM 532 O ALA X 34 -30.181 -2.011 2.092 1.00 0.00 O ATOM 533 CB ALA X 34 -27.528 -1.292 3.939 1.00 0.00 C ATOM 0 H ALA X 34 -28.412 -2.487 5.909 1.00 0.00 H new ATOM 0 HA ALA X 34 -29.552 -0.590 4.097 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -27.365 -0.835 2.963 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -27.162 -0.624 4.718 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.991 -2.239 3.991 1.00 0.00 H new ATOM 539 N ASN X 35 -29.277 -3.753 3.199 1.00 0.00 N ATOM 540 CA ASN X 35 -29.729 -4.735 2.223 1.00 0.00 C ATOM 541 C ASN X 35 -31.246 -4.671 2.081 1.00 0.00 C ATOM 542 O ASN X 35 -31.797 -4.998 1.028 1.00 0.00 O ATOM 543 CB ASN X 35 -29.311 -6.140 2.660 1.00 0.00 C ATOM 544 CG ASN X 35 -28.828 -6.939 1.455 1.00 0.00 C ATOM 545 OD1 ASN X 35 -27.627 -7.007 1.196 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.697 -7.554 0.698 1.00 0.00 N ATOM 0 H ASN X 35 -28.753 -4.142 3.983 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.270 -4.509 1.260 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -28.519 -6.077 3.406 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -30.152 -6.649 3.130 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.380 -8.091 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -30.692 -7.497 0.914 1.00 0.00 H new ATOM 553 N ASP X 36 -31.915 -4.242 3.147 1.00 0.00 N ATOM 554 CA ASP X 36 -33.368 -4.130 3.132 1.00 0.00 C ATOM 555 C ASP X 36 -33.803 -3.127 2.073 1.00 0.00 C ATOM 556 O ASP X 36 -34.849 -3.284 1.442 1.00 0.00 O ATOM 557 CB ASP X 36 -33.873 -3.682 4.505 1.00 0.00 C ATOM 558 CG ASP X 36 -35.388 -3.519 4.476 1.00 0.00 C ATOM 559 OD1 ASP X 36 -36.057 -4.446 4.049 1.00 0.00 O ATOM 560 OD2 ASP X 36 -35.859 -2.468 4.878 1.00 0.00 O ATOM 0 H ASP X 36 -31.477 -3.968 4.026 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.793 -5.106 2.896 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -33.592 -4.415 5.262 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -33.403 -2.739 4.785 1.00 0.00 H new ATOM 565 N ASN X 37 -32.984 -2.099 1.876 1.00 0.00 N ATOM 566 CA ASN X 37 -33.280 -1.077 0.883 1.00 0.00 C ATOM 567 C ASN X 37 -32.685 -1.477 -0.460 1.00 0.00 C ATOM 568 O ASN X 37 -32.848 -0.778 -1.460 1.00 0.00 O ATOM 569 CB ASN X 37 -32.704 0.269 1.327 1.00 0.00 C ATOM 570 CG ASN X 37 -32.759 1.266 0.176 1.00 0.00 C ATOM 571 OD1 ASN X 37 -31.903 1.244 -0.709 1.00 0.00 O ATOM 572 ND2 ASN X 37 -33.722 2.147 0.134 1.00 0.00 N ATOM 0 H ASN X 37 -32.115 -1.953 2.389 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.361 -0.982 0.782 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -33.268 0.652 2.178 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -31.674 0.141 1.659 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -33.766 2.818 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -34.430 2.164 0.868 1.00 0.00 H new ATOM 579 N GLY X 38 -32.000 -2.616 -0.472 1.00 0.00 N ATOM 580 CA GLY X 38 -31.387 -3.115 -1.695 1.00 0.00 C ATOM 581 C GLY X 38 -29.925 -2.691 -1.802 1.00 0.00 C ATOM 582 O GLY X 38 -29.373 -2.633 -2.901 1.00 0.00 O ATOM 0 H GLY X 38 -31.857 -3.207 0.347 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.454 -4.203 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.939 -2.742 -2.558 1.00 0.00 H new ATOM 586 N VAL X 39 -29.296 -2.400 -0.665 1.00 0.00 N ATOM 587 CA VAL X 39 -27.897 -1.994 -0.679 1.00 0.00 C ATOM 588 C VAL X 39 -26.990 -3.219 -0.631 1.00 0.00 C ATOM 589 O VAL X 39 -26.888 -3.890 0.397 1.00 0.00 O ATOM 590 CB VAL X 39 -27.601 -1.087 0.514 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.182 -0.530 0.389 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.603 0.071 0.536 1.00 0.00 C ATOM 0 H VAL X 39 -29.725 -2.437 0.260 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.704 -1.446 -1.601 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.688 -1.660 1.437 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.969 0.118 1.240 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.468 -1.353 0.372 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -26.096 0.043 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.392 0.718 1.387 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.516 0.645 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.615 -0.325 0.623 1.00 0.00 H new ATOM 602 N ASP X 40 -26.338 -3.504 -1.751 1.00 0.00 N ATOM 603 CA ASP X 40 -25.442 -4.650 -1.838 1.00 0.00 C ATOM 604 C ASP X 40 -24.065 -4.218 -2.329 1.00 0.00 C ATOM 605 O ASP X 40 -23.885 -3.092 -2.795 1.00 0.00 O ATOM 606 CB ASP X 40 -26.023 -5.700 -2.786 1.00 0.00 C ATOM 607 CG ASP X 40 -27.140 -5.089 -3.624 1.00 0.00 C ATOM 608 OD1 ASP X 40 -28.038 -4.503 -3.042 1.00 0.00 O ATOM 609 OD2 ASP X 40 -27.083 -5.217 -4.835 1.00 0.00 O ATOM 0 H ASP X 40 -26.412 -2.959 -2.610 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.339 -5.082 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -25.239 -6.086 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -26.407 -6.545 -2.214 1.00 0.00 H new ATOM 614 N GLY X 41 -23.097 -5.120 -2.225 1.00 0.00 N ATOM 615 CA GLY X 41 -21.740 -4.828 -2.666 1.00 0.00 C ATOM 616 C GLY X 41 -20.712 -5.509 -1.769 1.00 0.00 C ATOM 617 O GLY X 41 -21.063 -6.293 -0.888 1.00 0.00 O ATOM 0 H GLY X 41 -23.226 -6.056 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.609 -5.164 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.576 -3.750 -2.659 1.00 0.00 H new ATOM 621 N GLU X 42 -19.440 -5.198 -1.997 1.00 0.00 N ATOM 622 CA GLU X 42 -18.366 -5.782 -1.202 1.00 0.00 C ATOM 623 C GLU X 42 -17.974 -4.836 -0.074 1.00 0.00 C ATOM 624 O GLU X 42 -17.588 -3.694 -0.317 1.00 0.00 O ATOM 625 CB GLU X 42 -17.149 -6.058 -2.086 1.00 0.00 C ATOM 626 CG GLU X 42 -16.145 -6.923 -1.321 1.00 0.00 C ATOM 627 CD GLU X 42 -15.279 -7.708 -2.301 1.00 0.00 C ATOM 628 OE1 GLU X 42 -15.239 -7.329 -3.460 1.00 0.00 O ATOM 629 OE2 GLU X 42 -14.669 -8.677 -1.879 1.00 0.00 O ATOM 0 H GLU X 42 -19.129 -4.550 -2.720 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.719 -6.720 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.458 -6.564 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.683 -5.119 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -15.516 -6.294 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -16.674 -7.609 -0.660 1.00 0.00 H new ATOM 636 N TRP X 43 -18.075 -5.311 1.159 1.00 0.00 N ATOM 637 CA TRP X 43 -17.732 -4.478 2.306 1.00 0.00 C ATOM 638 C TRP X 43 -16.368 -4.859 2.869 1.00 0.00 C ATOM 639 O TRP X 43 -15.962 -6.020 2.824 1.00 0.00 O ATOM 640 CB TRP X 43 -18.780 -4.645 3.410 1.00 0.00 C ATOM 641 CG TRP X 43 -20.146 -4.344 2.882 1.00 0.00 C ATOM 642 CD1 TRP X 43 -20.754 -5.005 1.870 1.00 0.00 C ATOM 643 CD2 TRP X 43 -21.086 -3.326 3.330 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.009 -4.456 1.670 1.00 0.00 N ATOM 645 CE2 TRP X 43 -22.259 -3.417 2.545 1.00 0.00 C ATOM 646 CE3 TRP X 43 -21.034 -2.340 4.332 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -23.342 -2.561 2.746 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -22.123 -1.478 4.538 1.00 0.00 C ATOM 649 CH2 TRP X 43 -23.274 -1.588 3.746 1.00 0.00 C ATOM 0 H TRP X 43 -18.387 -6.254 1.391 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.705 -3.442 1.968 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.749 -5.663 3.798 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -18.550 -3.980 4.242 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -20.330 -5.826 1.310 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -22.669 -4.779 0.963 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -20.151 -2.245 4.947 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -24.227 -2.650 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -22.073 -0.726 5.311 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -24.108 -0.921 3.909 1.00 0.00 H new ATOM 660 N THR X 44 -15.672 -3.863 3.407 1.00 0.00 N ATOM 661 CA THR X 44 -14.356 -4.078 3.993 1.00 0.00 C ATOM 662 C THR X 44 -14.038 -2.959 4.980 1.00 0.00 C ATOM 663 O THR X 44 -14.304 -1.790 4.705 1.00 0.00 O ATOM 664 CB THR X 44 -13.290 -4.115 2.894 1.00 0.00 C ATOM 665 OG1 THR X 44 -13.891 -4.511 1.668 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.196 -5.114 3.274 1.00 0.00 C ATOM 0 H THR X 44 -15.999 -2.898 3.449 1.00 0.00 H new ATOM 0 HA THR X 44 -14.357 -5.032 4.520 1.00 0.00 H new ATOM 0 HB THR X 44 -12.850 -3.124 2.781 1.00 0.00 H new ATOM 0 HG1 THR X 44 -13.211 -4.534 0.963 1.00 0.00 H new ATOM 0 HG21 THR X 44 -11.438 -5.139 2.491 1.00 0.00 H new ATOM 0 HG22 THR X 44 -11.736 -4.810 4.214 1.00 0.00 H new ATOM 0 HG23 THR X 44 -12.633 -6.106 3.388 1.00 0.00 H new ATOM 674 N TYR X 45 -13.466 -3.314 6.124 1.00 0.00 N ATOM 675 CA TYR X 45 -13.120 -2.310 7.124 1.00 0.00 C ATOM 676 C TYR X 45 -11.699 -1.809 6.895 1.00 0.00 C ATOM 677 O TYR X 45 -10.730 -2.480 7.250 1.00 0.00 O ATOM 678 CB TYR X 45 -13.240 -2.894 8.534 1.00 0.00 C ATOM 679 CG TYR X 45 -13.340 -4.398 8.457 1.00 0.00 C ATOM 680 CD1 TYR X 45 -14.387 -4.995 7.745 1.00 0.00 C ATOM 681 CD2 TYR X 45 -12.386 -5.196 9.101 1.00 0.00 C ATOM 682 CE1 TYR X 45 -14.480 -6.390 7.676 1.00 0.00 C ATOM 683 CE2 TYR X 45 -12.480 -6.591 9.032 1.00 0.00 C ATOM 684 CZ TYR X 45 -13.527 -7.189 8.320 1.00 0.00 C ATOM 685 OH TYR X 45 -13.619 -8.563 8.252 1.00 0.00 O ATOM 0 H TYR X 45 -13.235 -4.274 6.381 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.815 -1.475 7.028 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -12.374 -2.608 9.131 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -14.120 -2.487 9.033 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -15.123 -4.379 7.249 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -11.578 -4.735 9.650 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -15.287 -6.850 7.126 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -11.744 -7.207 9.528 1.00 0.00 H new ATOM 0 HH TYR X 45 -12.878 -8.966 8.752 1.00 0.00 H new ATOM 695 N ASP X 46 -11.581 -0.628 6.296 1.00 0.00 N ATOM 696 CA ASP X 46 -10.270 -0.052 6.021 1.00 0.00 C ATOM 697 C ASP X 46 -9.945 1.050 7.022 1.00 0.00 C ATOM 698 O ASP X 46 -10.595 2.096 7.042 1.00 0.00 O ATOM 699 CB ASP X 46 -10.235 0.516 4.602 1.00 0.00 C ATOM 700 CG ASP X 46 -8.790 0.684 4.144 1.00 0.00 C ATOM 701 OD1 ASP X 46 -7.912 0.635 4.990 1.00 0.00 O ATOM 702 OD2 ASP X 46 -8.581 0.858 2.954 1.00 0.00 O ATOM 0 H ASP X 46 -12.370 -0.056 5.994 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.523 -0.840 6.114 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -10.766 -0.150 3.922 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -10.749 1.477 4.573 1.00 0.00 H new ATOM 707 N ASP X 47 -8.934 0.810 7.849 1.00 0.00 N ATOM 708 CA ASP X 47 -8.526 1.790 8.848 1.00 0.00 C ATOM 709 C ASP X 47 -7.452 2.712 8.281 1.00 0.00 C ATOM 710 O ASP X 47 -7.280 3.838 8.746 1.00 0.00 O ATOM 711 CB ASP X 47 -7.988 1.078 10.091 1.00 0.00 C ATOM 712 CG ASP X 47 -7.121 2.033 10.905 1.00 0.00 C ATOM 713 OD1 ASP X 47 -6.028 2.338 10.456 1.00 0.00 O ATOM 714 OD2 ASP X 47 -7.562 2.445 11.965 1.00 0.00 O ATOM 0 H ASP X 47 -8.385 -0.049 7.848 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.396 2.387 9.122 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -8.816 0.717 10.700 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -7.405 0.206 9.797 1.00 0.00 H new ATOM 719 N ALA X 48 -6.733 2.226 7.273 1.00 0.00 N ATOM 720 CA ALA X 48 -5.679 3.017 6.649 1.00 0.00 C ATOM 721 C ALA X 48 -6.265 4.267 6.002 1.00 0.00 C ATOM 722 O ALA X 48 -5.643 5.331 6.004 1.00 0.00 O ATOM 723 CB ALA X 48 -4.955 2.183 5.591 1.00 0.00 C ATOM 0 H ALA X 48 -6.860 1.296 6.874 1.00 0.00 H new ATOM 0 HA ALA X 48 -4.969 3.317 7.420 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.170 2.782 5.130 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.513 1.304 6.060 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.666 1.868 4.827 1.00 0.00 H new ATOM 729 N THR X 49 -7.467 4.134 5.454 1.00 0.00 N ATOM 730 CA THR X 49 -8.133 5.258 4.809 1.00 0.00 C ATOM 731 C THR X 49 -9.446 5.571 5.520 1.00 0.00 C ATOM 732 O THR X 49 -10.227 6.407 5.065 1.00 0.00 O ATOM 733 CB THR X 49 -8.410 4.933 3.338 1.00 0.00 C ATOM 734 OG1 THR X 49 -9.315 3.840 3.258 1.00 0.00 O ATOM 735 CG2 THR X 49 -7.101 4.567 2.636 1.00 0.00 C ATOM 0 H THR X 49 -7.998 3.263 5.443 1.00 0.00 H new ATOM 0 HA THR X 49 -7.480 6.128 4.867 1.00 0.00 H new ATOM 0 HB THR X 49 -8.848 5.804 2.851 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.494 3.632 2.317 1.00 0.00 H new ATOM 0 HG21 THR X 49 -7.301 4.336 1.590 1.00 0.00 H new ATOM 0 HG22 THR X 49 -6.409 5.407 2.696 1.00 0.00 H new ATOM 0 HG23 THR X 49 -6.659 3.697 3.121 1.00 0.00 H new ATOM 743 N LYS X 50 -9.682 4.891 6.638 1.00 0.00 N ATOM 744 CA LYS X 50 -10.903 5.099 7.406 1.00 0.00 C ATOM 745 C LYS X 50 -12.080 5.362 6.473 1.00 0.00 C ATOM 746 O LYS X 50 -12.826 6.324 6.656 1.00 0.00 O ATOM 747 CB LYS X 50 -10.727 6.283 8.359 1.00 0.00 C ATOM 748 CG LYS X 50 -9.536 6.019 9.284 1.00 0.00 C ATOM 749 CD LYS X 50 -9.855 6.536 10.689 1.00 0.00 C ATOM 750 CE LYS X 50 -8.606 6.432 11.565 1.00 0.00 C ATOM 751 NZ LYS X 50 -8.411 5.016 11.989 1.00 0.00 N ATOM 0 H LYS X 50 -9.047 4.195 7.030 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.106 4.198 7.985 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -10.565 7.200 7.792 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.633 6.428 8.947 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -9.319 4.951 9.319 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -8.645 6.513 8.897 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -10.193 7.571 10.639 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -10.668 5.956 11.126 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -7.733 6.781 11.014 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -8.708 7.074 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -8.133 4.989 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -9.299 4.490 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -7.664 4.580 11.411 1.00 0.00 H new ATOM 765 N THR X 51 -12.235 4.502 5.471 1.00 0.00 N ATOM 766 CA THR X 51 -13.321 4.652 4.511 1.00 0.00 C ATOM 767 C THR X 51 -13.900 3.292 4.129 1.00 0.00 C ATOM 768 O THR X 51 -13.169 2.313 3.982 1.00 0.00 O ATOM 769 CB THR X 51 -12.809 5.361 3.255 1.00 0.00 C ATOM 770 OG1 THR X 51 -12.053 6.502 3.632 1.00 0.00 O ATOM 771 CG2 THR X 51 -13.994 5.797 2.389 1.00 0.00 C ATOM 0 H THR X 51 -11.627 3.700 5.304 1.00 0.00 H new ATOM 0 HA THR X 51 -14.108 5.248 4.974 1.00 0.00 H new ATOM 0 HB THR X 51 -12.179 4.677 2.686 1.00 0.00 H new ATOM 0 HG1 THR X 51 -11.187 6.217 3.992 1.00 0.00 H new ATOM 0 HG21 THR X 51 -13.626 6.301 1.496 1.00 0.00 H new ATOM 0 HG22 THR X 51 -14.574 4.921 2.098 1.00 0.00 H new ATOM 0 HG23 THR X 51 -14.627 6.479 2.956 1.00 0.00 H new ATOM 779 N PHE X 52 -15.217 3.245 3.962 1.00 0.00 N ATOM 780 CA PHE X 52 -15.890 2.005 3.588 1.00 0.00 C ATOM 781 C PHE X 52 -16.343 2.075 2.134 1.00 0.00 C ATOM 782 O PHE X 52 -16.813 3.115 1.671 1.00 0.00 O ATOM 783 CB PHE X 52 -17.106 1.773 4.488 1.00 0.00 C ATOM 784 CG PHE X 52 -16.665 1.127 5.779 1.00 0.00 C ATOM 785 CD1 PHE X 52 -15.867 1.841 6.680 1.00 0.00 C ATOM 786 CD2 PHE X 52 -17.056 -0.183 6.075 1.00 0.00 C ATOM 787 CE1 PHE X 52 -15.459 1.244 7.878 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.649 -0.781 7.274 1.00 0.00 C ATOM 789 CZ PHE X 52 -15.850 -0.068 8.176 1.00 0.00 C ATOM 0 H PHE X 52 -15.838 4.046 4.079 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.190 1.179 3.710 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.604 2.720 4.695 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -17.831 1.137 3.980 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -15.566 2.853 6.451 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.672 -0.733 5.379 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -14.843 1.795 8.573 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -16.951 -1.792 7.503 1.00 0.00 H new ATOM 0 HZ PHE X 52 -15.535 -0.529 9.101 1.00 0.00 H new ATOM 799 N THR X 53 -16.196 0.968 1.412 1.00 0.00 N ATOM 800 CA THR X 53 -16.592 0.934 0.010 1.00 0.00 C ATOM 801 C THR X 53 -17.407 -0.317 -0.302 1.00 0.00 C ATOM 802 O THR X 53 -17.015 -1.431 0.049 1.00 0.00 O ATOM 803 CB THR X 53 -15.349 0.974 -0.883 1.00 0.00 C ATOM 804 OG1 THR X 53 -15.697 0.551 -2.195 1.00 0.00 O ATOM 805 CG2 THR X 53 -14.275 0.047 -0.311 1.00 0.00 C ATOM 0 H THR X 53 -15.811 0.094 1.769 1.00 0.00 H new ATOM 0 HA THR X 53 -17.214 1.807 -0.187 1.00 0.00 H new ATOM 0 HB THR X 53 -14.961 1.992 -0.921 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.903 0.577 -2.769 1.00 0.00 H new ATOM 0 HG21 THR X 53 -13.391 0.077 -0.948 1.00 0.00 H new ATOM 0 HG22 THR X 53 -14.009 0.375 0.694 1.00 0.00 H new ATOM 0 HG23 THR X 53 -14.658 -0.973 -0.270 1.00 0.00 H new ATOM 813 N VAL X 54 -18.542 -0.124 -0.969 1.00 0.00 N ATOM 814 CA VAL X 54 -19.406 -1.243 -1.332 1.00 0.00 C ATOM 815 C VAL X 54 -19.745 -1.194 -2.818 1.00 0.00 C ATOM 816 O VAL X 54 -20.271 -0.194 -3.310 1.00 0.00 O ATOM 817 CB VAL X 54 -20.693 -1.192 -0.507 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.021 -2.589 0.018 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.502 -0.240 0.675 1.00 0.00 C ATOM 0 H VAL X 54 -18.883 0.790 -1.267 1.00 0.00 H new ATOM 0 HA VAL X 54 -18.878 -2.174 -1.124 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.511 -0.838 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -21.938 -2.551 0.606 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.156 -3.271 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -20.203 -2.943 0.645 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.418 -0.203 1.264 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -19.683 -0.596 1.300 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.268 0.758 0.304 1.00 0.00 H new ATOM 829 N THR X 55 -19.438 -2.274 -3.531 1.00 0.00 N ATOM 830 CA THR X 55 -19.713 -2.335 -4.964 1.00 0.00 C ATOM 831 C THR X 55 -20.549 -3.563 -5.319 1.00 0.00 C ATOM 832 O THR X 55 -20.095 -4.697 -5.173 1.00 0.00 O ATOM 833 CB THR X 55 -18.396 -2.374 -5.745 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.784 -3.645 -5.576 1.00 0.00 O ATOM 835 CG2 THR X 55 -17.457 -1.281 -5.228 1.00 0.00 C ATOM 0 H THR X 55 -19.003 -3.112 -3.145 1.00 0.00 H new ATOM 0 HA THR X 55 -20.280 -1.444 -5.234 1.00 0.00 H new ATOM 0 HB THR X 55 -18.598 -2.204 -6.803 1.00 0.00 H new ATOM 0 HG1 THR X 55 -18.411 -4.254 -5.132 1.00 0.00 H new ATOM 0 HG21 THR X 55 -16.521 -1.312 -5.786 1.00 0.00 H new ATOM 0 HG22 THR X 55 -17.926 -0.306 -5.360 1.00 0.00 H new ATOM 0 HG23 THR X 55 -17.254 -1.446 -4.170 1.00 0.00 H new ATOM 843 N GLU X 56 -21.767 -3.325 -5.803 1.00 0.00 N ATOM 844 CA GLU X 56 -22.656 -4.416 -6.193 1.00 0.00 C ATOM 845 C GLU X 56 -22.655 -4.585 -7.710 1.00 0.00 C ATOM 846 O GLU X 56 -23.239 -5.549 -8.178 1.00 0.00 O ATOM 847 CB GLU X 56 -24.082 -4.135 -5.712 1.00 0.00 C ATOM 848 CG GLU X 56 -24.313 -2.626 -5.638 1.00 0.00 C ATOM 849 CD GLU X 56 -25.682 -2.337 -5.029 1.00 0.00 C ATOM 850 OE1 GLU X 56 -26.593 -3.107 -5.279 1.00 0.00 O ATOM 851 OE2 GLU X 56 -25.797 -1.349 -4.322 1.00 0.00 O ATOM 852 OXT GLU X 56 -22.072 -3.748 -8.379 1.00 0.00 O ATOM 0 H GLU X 56 -22.158 -2.392 -5.934 1.00 0.00 H new ATOM 0 HA GLU X 56 -22.295 -5.335 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -24.802 -4.590 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -24.241 -4.585 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -23.533 -2.159 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -24.250 -2.191 -6.635 1.00 0.00 H new TER 859 GLU X 56