USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.0706 K(o=-0.071,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.528 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.37 K(o=-1.4,f=-8!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.003 (180deg=-0.0505) USER MOD Single : A 29 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.026) USER MOD Single : A 37 SER OG : rot 90:sc= 0.423 USER MOD Single : A 38 LYS NZ :NH3+ -97:sc= -0.661 (180deg=-1.79!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= -0.436 (180deg=-1.69!) USER MOD Single : A 49 SER OG : rot 48:sc= -0.983 USER MOD Single : A 50 THR OG1 : rot -84:sc= 0.276 USER MOD Single : A 57 THR OG1 : rot 116:sc= -5.27! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 0.225 (180deg=0.0467) USER MOD Single : A 64 SER OG : rot 180:sc= -1.06 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.0033) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.549 14.980 2.624 1.00 0.00 N ATOM 2 CA ASN A 1 10.968 14.806 1.263 1.00 0.00 C ATOM 3 C ASN A 1 11.687 13.663 0.544 1.00 0.00 C ATOM 4 O ASN A 1 12.845 13.769 0.195 1.00 0.00 O ATOM 5 CB ASN A 1 11.142 16.101 0.466 1.00 0.00 C ATOM 6 CG ASN A 1 10.079 17.114 0.898 1.00 0.00 C ATOM 7 OD1 ASN A 1 8.930 16.764 1.080 1.00 0.00 O ATOM 8 ND2 ASN A 1 10.417 18.361 1.071 1.00 0.00 N ATOM 0 H1 ASN A 1 11.061 15.757 3.113 1.00 0.00 H new ATOM 0 H2 ASN A 1 11.431 14.101 3.167 1.00 0.00 H new ATOM 0 H3 ASN A 1 12.561 15.204 2.543 1.00 0.00 H new ATOM 0 HA ASN A 1 9.907 14.571 1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 1 12.138 16.511 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 1 11.054 15.898 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 1 9.716 19.044 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 1 11.382 18.654 0.918 1.00 0.00 H new ATOM 17 N ALA A 2 11.009 12.571 0.318 1.00 0.00 N ATOM 18 CA ALA A 2 11.655 11.425 -0.380 1.00 0.00 C ATOM 19 C ALA A 2 12.316 11.923 -1.667 1.00 0.00 C ATOM 20 O ALA A 2 11.733 12.671 -2.425 1.00 0.00 O ATOM 21 CB ALA A 2 10.599 10.373 -0.722 1.00 0.00 C ATOM 0 H ALA A 2 10.036 12.424 0.587 1.00 0.00 H new ATOM 0 HA ALA A 2 12.410 10.981 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.073 9.535 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.127 10.020 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.843 10.814 -1.372 1.00 0.00 H new ATOM 27 N GLU A 3 13.530 11.515 -1.918 1.00 0.00 N ATOM 28 CA GLU A 3 14.224 11.968 -3.154 1.00 0.00 C ATOM 29 C GLU A 3 13.662 11.217 -4.368 1.00 0.00 C ATOM 30 O GLU A 3 13.255 11.829 -5.335 1.00 0.00 O ATOM 31 CB GLU A 3 15.725 11.693 -3.030 1.00 0.00 C ATOM 32 CG GLU A 3 16.473 13.016 -2.852 1.00 0.00 C ATOM 33 CD GLU A 3 17.022 13.106 -1.427 1.00 0.00 C ATOM 34 OE1 GLU A 3 16.619 12.298 -0.606 1.00 0.00 O ATOM 35 OE2 GLU A 3 17.836 13.981 -1.181 1.00 0.00 O ATOM 0 H GLU A 3 14.070 10.888 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 3 14.062 13.038 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.916 11.038 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.086 11.176 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.289 13.084 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.804 13.853 -3.048 1.00 0.00 H new ATOM 42 N PRO A 4 13.655 9.910 -4.280 1.00 0.00 N ATOM 43 CA PRO A 4 13.148 9.047 -5.360 1.00 0.00 C ATOM 44 C PRO A 4 11.618 8.996 -5.335 1.00 0.00 C ATOM 45 O PRO A 4 11.004 9.005 -4.288 1.00 0.00 O ATOM 46 CB PRO A 4 13.741 7.675 -5.032 1.00 0.00 C ATOM 47 CG PRO A 4 14.063 7.690 -3.519 1.00 0.00 C ATOM 48 CD PRO A 4 14.152 9.170 -3.100 1.00 0.00 C ATOM 0 HA PRO A 4 13.424 9.401 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.035 6.879 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.641 7.490 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.288 7.174 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.002 7.174 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.544 9.372 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.175 9.454 -2.854 1.00 0.00 H new ATOM 56 N VAL A 5 11.000 8.939 -6.481 1.00 0.00 N ATOM 57 CA VAL A 5 9.512 8.880 -6.528 1.00 0.00 C ATOM 58 C VAL A 5 9.089 7.802 -7.527 1.00 0.00 C ATOM 59 O VAL A 5 9.787 7.533 -8.486 1.00 0.00 O ATOM 60 CB VAL A 5 8.969 10.241 -6.965 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.470 10.311 -6.676 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.686 11.342 -6.182 1.00 0.00 C ATOM 0 H VAL A 5 11.462 8.931 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 5 9.114 8.636 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 5 9.139 10.376 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.084 11.282 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.956 9.523 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.299 10.179 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.303 12.315 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.510 11.203 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.756 11.293 -6.383 1.00 0.00 H new ATOM 72 N SER A 6 7.965 7.168 -7.317 1.00 0.00 N ATOM 73 CA SER A 6 7.542 6.104 -8.273 1.00 0.00 C ATOM 74 C SER A 6 6.481 6.631 -9.235 1.00 0.00 C ATOM 75 O SER A 6 5.365 6.925 -8.849 1.00 0.00 O ATOM 76 CB SER A 6 6.959 4.905 -7.514 1.00 0.00 C ATOM 77 OG SER A 6 7.687 4.714 -6.307 1.00 0.00 O ATOM 0 H SER A 6 7.330 7.338 -6.537 1.00 0.00 H new ATOM 0 HA SER A 6 8.423 5.796 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.905 5.077 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.013 4.008 -8.131 1.00 0.00 H new ATOM 0 HG SER A 6 7.316 3.950 -5.819 1.00 0.00 H new ATOM 83 N LYS A 7 6.806 6.696 -10.494 1.00 0.00 N ATOM 84 CA LYS A 7 5.807 7.135 -11.501 1.00 0.00 C ATOM 85 C LYS A 7 5.092 5.869 -11.953 1.00 0.00 C ATOM 86 O LYS A 7 5.615 5.097 -12.734 1.00 0.00 O ATOM 87 CB LYS A 7 6.515 7.794 -12.687 1.00 0.00 C ATOM 88 CG LYS A 7 5.504 8.604 -13.501 1.00 0.00 C ATOM 89 CD LYS A 7 5.661 8.273 -14.986 1.00 0.00 C ATOM 90 CE LYS A 7 4.386 7.597 -15.495 1.00 0.00 C ATOM 91 NZ LYS A 7 3.379 8.638 -15.853 1.00 0.00 N ATOM 0 H LYS A 7 7.725 6.463 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 7 5.110 7.864 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.315 8.443 -12.331 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.978 7.033 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.490 8.376 -13.172 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.660 9.670 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.855 9.183 -15.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.518 7.616 -15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.611 6.980 -16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.983 6.934 -14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.513 8.178 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.156 9.209 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.765 9.253 -16.597 1.00 0.00 H new ATOM 105 N LEU A 8 3.935 5.606 -11.423 1.00 0.00 N ATOM 106 CA LEU A 8 3.247 4.344 -11.782 1.00 0.00 C ATOM 107 C LEU A 8 2.167 4.557 -12.834 1.00 0.00 C ATOM 108 O LEU A 8 1.250 5.335 -12.666 1.00 0.00 O ATOM 109 CB LEU A 8 2.594 3.750 -10.529 1.00 0.00 C ATOM 110 CG LEU A 8 3.551 2.775 -9.831 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.787 1.975 -8.774 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.140 1.804 -10.853 1.00 0.00 C ATOM 0 H LEU A 8 3.440 6.205 -10.762 1.00 0.00 H new ATOM 0 HA LEU A 8 3.997 3.669 -12.194 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.317 4.550 -9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.675 3.232 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 8 4.353 3.344 -9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.468 1.283 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.364 2.657 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.984 1.414 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.819 1.115 -10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.335 1.241 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.687 2.363 -11.612 1.00 0.00 H new ATOM 124 N ARG A 9 2.240 3.800 -13.887 1.00 0.00 N ATOM 125 CA ARG A 9 1.194 3.861 -14.932 1.00 0.00 C ATOM 126 C ARG A 9 0.474 2.525 -14.841 1.00 0.00 C ATOM 127 O ARG A 9 1.003 1.498 -15.219 1.00 0.00 O ATOM 128 CB ARG A 9 1.828 4.027 -16.314 1.00 0.00 C ATOM 129 CG ARG A 9 0.744 4.384 -17.333 1.00 0.00 C ATOM 130 CD ARG A 9 0.822 5.876 -17.660 1.00 0.00 C ATOM 131 NE ARG A 9 1.169 6.051 -19.099 1.00 0.00 N ATOM 132 CZ ARG A 9 2.184 6.796 -19.439 1.00 0.00 C ATOM 133 NH1 ARG A 9 2.310 7.994 -18.938 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.073 6.343 -20.281 1.00 0.00 N ATOM 0 H ARG A 9 2.991 3.134 -14.069 1.00 0.00 H new ATOM 0 HA ARG A 9 0.520 4.705 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.587 4.809 -16.286 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.330 3.105 -16.609 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.875 3.795 -18.241 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.240 4.139 -16.933 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.132 6.357 -17.444 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.572 6.358 -17.033 1.00 0.00 H new ATOM 0 HE ARG A 9 0.613 5.588 -19.818 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.615 8.348 -18.281 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.104 8.577 -19.204 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.974 5.407 -20.673 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.867 6.926 -20.547 1.00 0.00 H new ATOM 148 N ILE A 10 -0.695 2.508 -14.280 1.00 0.00 N ATOM 149 CA ILE A 10 -1.392 1.210 -14.102 1.00 0.00 C ATOM 150 C ILE A 10 -2.483 1.048 -15.161 1.00 0.00 C ATOM 151 O ILE A 10 -3.406 1.821 -15.244 1.00 0.00 O ATOM 152 CB ILE A 10 -1.987 1.173 -12.687 1.00 0.00 C ATOM 153 CG1 ILE A 10 -1.011 1.828 -11.692 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.225 -0.274 -12.258 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.802 2.374 -10.513 1.00 0.00 C ATOM 0 H ILE A 10 -1.196 3.328 -13.939 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.691 0.384 -14.223 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.932 1.716 -12.693 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.277 1.099 -11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.458 2.631 -12.179 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.647 -0.291 -11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.919 -0.750 -12.951 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.279 -0.815 -12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.120 2.840 -9.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.519 3.115 -10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.335 1.559 -10.024 1.00 0.00 H new ATOM 167 N ARG A 11 -2.374 0.045 -15.984 1.00 0.00 N ATOM 168 CA ARG A 11 -3.393 -0.170 -17.042 1.00 0.00 C ATOM 169 C ARG A 11 -4.451 -1.158 -16.532 1.00 0.00 C ATOM 170 O ARG A 11 -4.187 -1.982 -15.678 1.00 0.00 O ATOM 171 CB ARG A 11 -2.684 -0.710 -18.301 1.00 0.00 C ATOM 172 CG ARG A 11 -3.456 -1.881 -18.926 1.00 0.00 C ATOM 173 CD ARG A 11 -3.077 -3.176 -18.206 1.00 0.00 C ATOM 174 NE ARG A 11 -4.131 -4.203 -18.440 1.00 0.00 N ATOM 175 CZ ARG A 11 -3.872 -5.463 -18.222 1.00 0.00 C ATOM 176 NH1 ARG A 11 -4.474 -6.095 -17.250 1.00 0.00 N ATOM 177 NH2 ARG A 11 -3.012 -6.094 -18.973 1.00 0.00 N ATOM 0 H ARG A 11 -1.617 -0.639 -15.968 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.895 0.764 -17.294 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.581 0.091 -19.033 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.677 -1.035 -18.041 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.529 -1.708 -18.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.223 -1.960 -19.988 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.115 -3.538 -18.569 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.966 -2.991 -17.138 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.054 -3.921 -18.770 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.147 -5.603 -16.661 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.271 -7.080 -17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.541 -5.602 -19.732 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.811 -7.079 -18.801 1.00 0.00 H new ATOM 191 N THR A 12 -5.644 -1.081 -17.055 1.00 0.00 N ATOM 192 CA THR A 12 -6.718 -2.015 -16.608 1.00 0.00 C ATOM 193 C THR A 12 -7.055 -2.974 -17.756 1.00 0.00 C ATOM 194 O THR A 12 -6.500 -2.865 -18.831 1.00 0.00 O ATOM 195 CB THR A 12 -7.972 -1.223 -16.221 1.00 0.00 C ATOM 196 OG1 THR A 12 -8.895 -1.244 -17.300 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.603 0.226 -15.893 1.00 0.00 C ATOM 0 H THR A 12 -5.922 -0.412 -17.773 1.00 0.00 H new ATOM 0 HA THR A 12 -6.372 -2.578 -15.741 1.00 0.00 H new ATOM 0 HB THR A 12 -8.423 -1.681 -15.341 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.755 -0.881 -17.002 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.503 0.778 -15.620 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.900 0.243 -15.060 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.143 0.691 -16.765 1.00 0.00 H new ATOM 205 N PRO A 13 -7.958 -3.885 -17.493 1.00 0.00 N ATOM 206 CA PRO A 13 -8.393 -4.879 -18.489 1.00 0.00 C ATOM 207 C PRO A 13 -9.403 -4.255 -19.455 1.00 0.00 C ATOM 208 O PRO A 13 -9.678 -4.788 -20.513 1.00 0.00 O ATOM 209 CB PRO A 13 -9.052 -5.970 -17.641 1.00 0.00 C ATOM 210 CG PRO A 13 -9.464 -5.299 -16.309 1.00 0.00 C ATOM 211 CD PRO A 13 -8.625 -4.013 -16.182 1.00 0.00 C ATOM 0 HA PRO A 13 -7.577 -5.259 -19.104 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.921 -6.387 -18.151 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.361 -6.794 -17.463 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.529 -5.068 -16.306 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.280 -5.966 -15.467 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.252 -3.148 -15.968 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.900 -4.089 -15.372 1.00 0.00 H new ATOM 219 N SER A 14 -9.957 -3.128 -19.101 1.00 0.00 N ATOM 220 CA SER A 14 -10.949 -2.469 -19.997 1.00 0.00 C ATOM 221 C SER A 14 -10.232 -1.469 -20.908 1.00 0.00 C ATOM 222 O SER A 14 -10.851 -0.775 -21.690 1.00 0.00 O ATOM 223 CB SER A 14 -11.988 -1.731 -19.152 1.00 0.00 C ATOM 224 OG SER A 14 -12.810 -2.680 -18.485 1.00 0.00 O ATOM 0 H SER A 14 -9.765 -2.635 -18.229 1.00 0.00 H new ATOM 0 HA SER A 14 -11.444 -3.225 -20.606 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.492 -1.088 -18.425 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.597 -1.086 -19.785 1.00 0.00 H new ATOM 0 HG SER A 14 -13.476 -2.211 -17.941 1.00 0.00 H new ATOM 230 N GLY A 15 -8.932 -1.389 -20.815 1.00 0.00 N ATOM 231 CA GLY A 15 -8.182 -0.433 -21.676 1.00 0.00 C ATOM 232 C GLY A 15 -8.048 0.909 -20.954 1.00 0.00 C ATOM 233 O GLY A 15 -7.721 1.915 -21.550 1.00 0.00 O ATOM 0 H GLY A 15 -8.358 -1.944 -20.180 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.195 -0.833 -21.908 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.701 -0.297 -22.625 1.00 0.00 H new ATOM 237 N GLU A 16 -8.299 0.932 -19.673 1.00 0.00 N ATOM 238 CA GLU A 16 -8.187 2.210 -18.916 1.00 0.00 C ATOM 239 C GLU A 16 -6.757 2.372 -18.396 1.00 0.00 C ATOM 240 O GLU A 16 -5.955 1.461 -18.460 1.00 0.00 O ATOM 241 CB GLU A 16 -9.159 2.191 -17.735 1.00 0.00 C ATOM 242 CG GLU A 16 -10.184 3.315 -17.901 1.00 0.00 C ATOM 243 CD GLU A 16 -11.363 2.810 -18.734 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.266 2.853 -19.950 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.344 2.390 -18.143 1.00 0.00 O ATOM 0 H GLU A 16 -8.576 0.122 -19.119 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.431 3.044 -19.574 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.665 1.227 -17.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.614 2.316 -16.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.532 3.651 -16.924 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.722 4.174 -18.388 1.00 0.00 H new ATOM 252 N PHE A 17 -6.432 3.528 -17.883 1.00 0.00 N ATOM 253 CA PHE A 17 -5.055 3.751 -17.361 1.00 0.00 C ATOM 254 C PHE A 17 -5.115 4.652 -16.123 1.00 0.00 C ATOM 255 O PHE A 17 -5.614 5.757 -16.173 1.00 0.00 O ATOM 256 CB PHE A 17 -4.211 4.449 -18.433 1.00 0.00 C ATOM 257 CG PHE A 17 -3.296 3.456 -19.115 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.117 3.028 -18.485 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.619 2.974 -20.390 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.269 2.120 -19.130 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.769 2.068 -21.034 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.594 1.642 -20.405 1.00 0.00 C ATOM 0 H PHE A 17 -7.061 4.327 -17.803 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.611 2.790 -17.101 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.863 4.917 -19.170 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.620 5.244 -17.979 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.864 3.399 -17.503 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.526 3.302 -20.877 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.364 1.788 -18.644 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.020 1.697 -22.017 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.937 0.944 -20.903 1.00 0.00 H new ATOM 272 N LEU A 18 -4.580 4.203 -15.021 1.00 0.00 N ATOM 273 CA LEU A 18 -4.574 5.050 -13.800 1.00 0.00 C ATOM 274 C LEU A 18 -3.162 5.595 -13.624 1.00 0.00 C ATOM 275 O LEU A 18 -2.267 4.903 -13.164 1.00 0.00 O ATOM 276 CB LEU A 18 -4.945 4.252 -12.535 1.00 0.00 C ATOM 277 CG LEU A 18 -6.184 3.385 -12.767 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.333 4.233 -13.329 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.816 2.274 -13.743 1.00 0.00 C ATOM 0 H LEU A 18 -4.147 3.285 -14.915 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.313 5.841 -13.924 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.106 3.620 -12.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.129 4.940 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.518 2.954 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.207 3.602 -13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.581 5.024 -12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.028 4.677 -14.277 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.687 1.644 -13.922 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.485 2.712 -14.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.012 1.671 -13.321 1.00 0.00 H new ATOM 291 N GLU A 19 -2.953 6.823 -13.986 1.00 0.00 N ATOM 292 CA GLU A 19 -1.601 7.420 -13.830 1.00 0.00 C ATOM 293 C GLU A 19 -1.427 7.785 -12.361 1.00 0.00 C ATOM 294 O GLU A 19 -2.238 8.488 -11.790 1.00 0.00 O ATOM 295 CB GLU A 19 -1.485 8.676 -14.697 1.00 0.00 C ATOM 296 CG GLU A 19 -2.558 9.683 -14.281 1.00 0.00 C ATOM 297 CD GLU A 19 -1.903 10.851 -13.542 1.00 0.00 C ATOM 298 OE1 GLU A 19 -1.029 11.476 -14.119 1.00 0.00 O ATOM 299 OE2 GLU A 19 -2.288 11.102 -12.411 1.00 0.00 O ATOM 0 H GLU A 19 -3.659 7.442 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.831 6.715 -14.143 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.494 9.117 -14.586 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.603 8.417 -15.749 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.090 10.047 -15.160 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.295 9.201 -13.639 1.00 0.00 H new ATOM 306 N ARG A 20 -0.403 7.295 -11.726 1.00 0.00 N ATOM 307 CA ARG A 20 -0.236 7.606 -10.284 1.00 0.00 C ATOM 308 C ARG A 20 1.216 7.921 -9.948 1.00 0.00 C ATOM 309 O ARG A 20 2.109 7.133 -10.181 1.00 0.00 O ATOM 310 CB ARG A 20 -0.669 6.394 -9.464 1.00 0.00 C ATOM 311 CG ARG A 20 -1.215 6.860 -8.115 1.00 0.00 C ATOM 312 CD ARG A 20 -2.369 7.840 -8.337 1.00 0.00 C ATOM 313 NE ARG A 20 -1.892 9.232 -8.096 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.551 10.016 -7.287 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.360 10.920 -7.771 1.00 0.00 N ATOM 316 NH2 ARG A 20 -2.402 9.897 -5.998 1.00 0.00 N ATOM 0 H ARG A 20 0.317 6.700 -12.137 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.846 8.479 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.432 5.831 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.176 5.722 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.559 6.003 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.424 7.339 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.750 7.746 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.194 7.605 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.051 9.571 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.476 11.013 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.876 11.533 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.770 9.191 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.917 10.510 -5.366 1.00 0.00 H new ATOM 330 N ARG A 21 1.444 9.050 -9.346 1.00 0.00 N ATOM 331 CA ARG A 21 2.822 9.405 -8.927 1.00 0.00 C ATOM 332 C ARG A 21 2.856 9.285 -7.408 1.00 0.00 C ATOM 333 O ARG A 21 2.111 9.948 -6.713 1.00 0.00 O ATOM 334 CB ARG A 21 3.143 10.841 -9.345 1.00 0.00 C ATOM 335 CG ARG A 21 4.623 11.131 -9.087 1.00 0.00 C ATOM 336 CD ARG A 21 4.752 12.251 -8.054 1.00 0.00 C ATOM 337 NE ARG A 21 5.850 13.174 -8.457 1.00 0.00 N ATOM 338 CZ ARG A 21 5.575 14.273 -9.104 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.667 15.090 -8.644 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.205 14.555 -10.211 1.00 0.00 N ATOM 0 H ARG A 21 0.731 9.745 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 21 3.558 8.749 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.913 10.983 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.522 11.541 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.123 10.232 -8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.115 11.420 -10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.813 12.798 -7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.959 11.831 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 21 6.817 12.946 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.173 14.869 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.451 15.949 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.913 13.916 -10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.989 15.415 -10.716 1.00 0.00 H new ATOM 354 N PHE A 22 3.679 8.430 -6.876 1.00 0.00 N ATOM 355 CA PHE A 22 3.693 8.275 -5.396 1.00 0.00 C ATOM 356 C PHE A 22 5.002 8.760 -4.805 1.00 0.00 C ATOM 357 O PHE A 22 6.056 8.615 -5.389 1.00 0.00 O ATOM 358 CB PHE A 22 3.574 6.807 -5.011 1.00 0.00 C ATOM 359 CG PHE A 22 2.434 6.134 -5.715 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.121 6.337 -5.281 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.700 5.272 -6.780 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.073 5.679 -5.924 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.653 4.612 -7.418 1.00 0.00 C ATOM 364 CZ PHE A 22 0.340 4.817 -6.992 1.00 0.00 C ATOM 0 H PHE A 22 4.333 7.840 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 22 2.855 8.859 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.504 6.292 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.434 6.725 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.919 7.000 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.717 5.117 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.944 5.835 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.857 3.943 -8.241 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.473 4.308 -7.489 1.00 0.00 H new ATOM 374 N LEU A 23 4.948 9.257 -3.607 1.00 0.00 N ATOM 375 CA LEU A 23 6.194 9.666 -2.929 1.00 0.00 C ATOM 376 C LEU A 23 6.807 8.386 -2.373 1.00 0.00 C ATOM 377 O LEU A 23 6.110 7.538 -1.861 1.00 0.00 O ATOM 378 CB LEU A 23 5.873 10.633 -1.787 1.00 0.00 C ATOM 379 CG LEU A 23 6.139 12.067 -2.244 1.00 0.00 C ATOM 380 CD1 LEU A 23 5.310 13.034 -1.398 1.00 0.00 C ATOM 381 CD2 LEU A 23 7.626 12.388 -2.076 1.00 0.00 C ATOM 0 H LEU A 23 4.092 9.397 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 23 6.876 10.174 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.831 10.523 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.484 10.399 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 23 5.861 12.172 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.500 14.057 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.251 12.806 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.588 12.930 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.817 13.411 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.905 12.283 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.217 11.699 -2.679 1.00 0.00 H new ATOM 393 N ALA A 24 8.084 8.210 -2.491 1.00 0.00 N ATOM 394 CA ALA A 24 8.701 6.951 -1.981 1.00 0.00 C ATOM 395 C ALA A 24 8.128 6.586 -0.602 1.00 0.00 C ATOM 396 O ALA A 24 8.155 5.436 -0.196 1.00 0.00 O ATOM 397 CB ALA A 24 10.214 7.142 -1.884 1.00 0.00 C ATOM 0 H ALA A 24 8.731 8.875 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 24 8.474 6.137 -2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.673 6.226 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.615 7.374 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.434 7.962 -1.200 1.00 0.00 H new ATOM 403 N SER A 25 7.615 7.545 0.125 1.00 0.00 N ATOM 404 CA SER A 25 7.052 7.237 1.474 1.00 0.00 C ATOM 405 C SER A 25 5.562 6.891 1.358 1.00 0.00 C ATOM 406 O SER A 25 4.926 6.517 2.322 1.00 0.00 O ATOM 407 CB SER A 25 7.222 8.453 2.384 1.00 0.00 C ATOM 408 OG SER A 25 6.204 9.402 2.096 1.00 0.00 O ATOM 0 H SER A 25 7.562 8.524 -0.155 1.00 0.00 H new ATOM 0 HA SER A 25 7.583 6.384 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.167 8.150 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.205 8.900 2.233 1.00 0.00 H new ATOM 0 HG SER A 25 6.310 10.182 2.679 1.00 0.00 H new ATOM 414 N ASN A 26 5.003 7.015 0.186 1.00 0.00 N ATOM 415 CA ASN A 26 3.556 6.694 0.006 1.00 0.00 C ATOM 416 C ASN A 26 3.268 5.288 0.538 1.00 0.00 C ATOM 417 O ASN A 26 4.133 4.632 1.084 1.00 0.00 O ATOM 418 CB ASN A 26 3.201 6.756 -1.481 1.00 0.00 C ATOM 419 CG ASN A 26 2.170 7.862 -1.717 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.228 8.559 -2.709 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.224 8.053 -0.840 1.00 0.00 N ATOM 0 H ASN A 26 5.485 7.325 -0.657 1.00 0.00 H new ATOM 0 HA ASN A 26 2.956 7.419 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.097 6.948 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.802 5.797 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.533 8.788 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.175 7.467 -0.006 1.00 0.00 H new ATOM 428 N LYS A 27 2.056 4.821 0.385 1.00 0.00 N ATOM 429 CA LYS A 27 1.715 3.459 0.888 1.00 0.00 C ATOM 430 C LYS A 27 0.981 2.665 -0.197 1.00 0.00 C ATOM 431 O LYS A 27 0.140 3.184 -0.916 1.00 0.00 O ATOM 432 CB LYS A 27 0.816 3.582 2.120 1.00 0.00 C ATOM 433 CG LYS A 27 1.202 4.830 2.914 1.00 0.00 C ATOM 434 CD LYS A 27 0.180 5.937 2.653 1.00 0.00 C ATOM 435 CE LYS A 27 -0.687 6.137 3.897 1.00 0.00 C ATOM 436 NZ LYS A 27 0.104 6.842 4.943 1.00 0.00 N ATOM 0 H LYS A 27 1.290 5.323 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 27 2.635 2.937 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.229 3.641 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.916 2.695 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.240 4.599 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.198 5.165 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.691 6.866 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.445 5.675 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.575 6.716 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.031 5.173 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.535 7.188 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.794 6.184 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.606 7.646 4.516 1.00 0.00 H new ATOM 450 N LEU A 28 1.283 1.401 -0.318 1.00 0.00 N ATOM 451 CA LEU A 28 0.598 0.578 -1.348 1.00 0.00 C ATOM 452 C LEU A 28 -0.913 0.682 -1.134 1.00 0.00 C ATOM 453 O LEU A 28 -1.670 0.861 -2.068 1.00 0.00 O ATOM 454 CB LEU A 28 1.014 -0.882 -1.206 1.00 0.00 C ATOM 455 CG LEU A 28 1.384 -1.465 -2.568 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.420 -0.610 -3.284 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.937 -2.870 -2.357 1.00 0.00 C ATOM 0 H LEU A 28 1.971 0.907 0.250 1.00 0.00 H new ATOM 0 HA LEU A 28 0.870 0.938 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.863 -0.960 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.200 -1.458 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 28 0.491 -1.489 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.657 -1.058 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.021 0.393 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.325 -0.552 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.207 -3.303 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.820 -2.821 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.179 -3.491 -1.879 1.00 0.00 H new ATOM 469 N GLN A 29 -1.360 0.572 0.093 1.00 0.00 N ATOM 470 CA GLN A 29 -2.821 0.666 0.354 1.00 0.00 C ATOM 471 C GLN A 29 -3.348 1.933 -0.316 1.00 0.00 C ATOM 472 O GLN A 29 -4.431 1.947 -0.866 1.00 0.00 O ATOM 473 CB GLN A 29 -3.078 0.722 1.870 1.00 0.00 C ATOM 474 CG GLN A 29 -4.428 1.390 2.157 1.00 0.00 C ATOM 475 CD GLN A 29 -5.049 0.771 3.410 1.00 0.00 C ATOM 476 OE1 GLN A 29 -6.255 0.694 3.530 1.00 0.00 O ATOM 477 NE2 GLN A 29 -4.270 0.323 4.357 1.00 0.00 N ATOM 0 H GLN A 29 -0.777 0.422 0.917 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.333 -0.208 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.068 -0.286 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.278 1.277 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.292 2.462 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.097 1.262 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.257 0.387 4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.674 -0.091 5.197 1.00 0.00 H new ATOM 486 N ILE A 30 -2.592 2.998 -0.291 1.00 0.00 N ATOM 487 CA ILE A 30 -3.077 4.235 -0.950 1.00 0.00 C ATOM 488 C ILE A 30 -3.129 3.985 -2.447 1.00 0.00 C ATOM 489 O ILE A 30 -4.080 4.331 -3.112 1.00 0.00 O ATOM 490 CB ILE A 30 -2.141 5.411 -0.637 1.00 0.00 C ATOM 491 CG1 ILE A 30 -3.014 6.646 -0.394 1.00 0.00 C ATOM 492 CG2 ILE A 30 -1.171 5.672 -1.807 1.00 0.00 C ATOM 493 CD1 ILE A 30 -2.199 7.927 -0.604 1.00 0.00 C ATOM 0 H ILE A 30 -1.675 3.061 0.151 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.069 4.491 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.539 5.182 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.867 6.635 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.413 6.623 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.519 6.510 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.567 4.782 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.740 5.909 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.834 8.795 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.361 7.943 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.822 7.955 -1.626 1.00 0.00 H new ATOM 505 N VAL A 31 -2.115 3.371 -2.981 1.00 0.00 N ATOM 506 CA VAL A 31 -2.135 3.087 -4.442 1.00 0.00 C ATOM 507 C VAL A 31 -3.425 2.347 -4.743 1.00 0.00 C ATOM 508 O VAL A 31 -4.206 2.719 -5.601 1.00 0.00 O ATOM 509 CB VAL A 31 -0.955 2.202 -4.834 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.756 2.276 -6.347 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.303 2.690 -4.122 1.00 0.00 C ATOM 0 H VAL A 31 -1.284 3.057 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.067 4.020 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.153 1.170 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.086 1.646 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.658 1.928 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.553 3.307 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.147 2.059 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.509 3.720 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.153 2.640 -3.043 1.00 0.00 H new ATOM 521 N PHE A 32 -3.640 1.290 -4.024 1.00 0.00 N ATOM 522 CA PHE A 32 -4.869 0.474 -4.220 1.00 0.00 C ATOM 523 C PHE A 32 -6.119 1.350 -4.068 1.00 0.00 C ATOM 524 O PHE A 32 -7.058 1.245 -4.838 1.00 0.00 O ATOM 525 CB PHE A 32 -4.906 -0.627 -3.159 1.00 0.00 C ATOM 526 CG PHE A 32 -3.605 -1.404 -3.163 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.660 -1.204 -4.179 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.347 -2.336 -2.147 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.469 -1.932 -4.174 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.152 -3.063 -2.148 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.218 -2.862 -3.158 1.00 0.00 C ATOM 0 H PHE A 32 -3.010 0.949 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.855 0.042 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.073 -0.188 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.741 -1.301 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.853 -0.488 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.072 -2.493 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.740 -1.778 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.955 -3.780 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.296 -3.425 -3.159 1.00 0.00 H new ATOM 541 N ASP A 33 -6.151 2.202 -3.076 1.00 0.00 N ATOM 542 CA ASP A 33 -7.355 3.059 -2.875 1.00 0.00 C ATOM 543 C ASP A 33 -7.462 4.090 -3.999 1.00 0.00 C ATOM 544 O ASP A 33 -8.543 4.441 -4.432 1.00 0.00 O ATOM 545 CB ASP A 33 -7.245 3.782 -1.532 1.00 0.00 C ATOM 546 CG ASP A 33 -8.408 3.366 -0.631 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.495 2.191 -0.314 1.00 0.00 O ATOM 548 OD2 ASP A 33 -9.194 4.229 -0.274 1.00 0.00 O ATOM 0 H ASP A 33 -5.399 2.340 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.245 2.429 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.296 3.540 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.258 4.861 -1.686 1.00 0.00 H new ATOM 553 N PHE A 34 -6.354 4.583 -4.469 1.00 0.00 N ATOM 554 CA PHE A 34 -6.397 5.597 -5.552 1.00 0.00 C ATOM 555 C PHE A 34 -6.991 4.968 -6.815 1.00 0.00 C ATOM 556 O PHE A 34 -7.896 5.509 -7.419 1.00 0.00 O ATOM 557 CB PHE A 34 -4.964 6.106 -5.805 1.00 0.00 C ATOM 558 CG PHE A 34 -4.491 5.745 -7.194 1.00 0.00 C ATOM 559 CD1 PHE A 34 -5.038 6.379 -8.315 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.504 4.772 -7.353 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.593 6.035 -9.597 1.00 0.00 C ATOM 562 CE2 PHE A 34 -3.058 4.429 -8.627 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.601 5.061 -9.754 1.00 0.00 C ATOM 0 H PHE A 34 -5.420 4.327 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.026 6.440 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.932 7.188 -5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.288 5.678 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.802 7.132 -8.191 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.085 4.283 -6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.015 6.521 -10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.293 3.676 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.254 4.797 -10.742 1.00 0.00 H new ATOM 573 N VAL A 35 -6.492 3.832 -7.225 1.00 0.00 N ATOM 574 CA VAL A 35 -7.063 3.210 -8.457 1.00 0.00 C ATOM 575 C VAL A 35 -8.512 2.850 -8.197 1.00 0.00 C ATOM 576 O VAL A 35 -9.396 3.256 -8.920 1.00 0.00 O ATOM 577 CB VAL A 35 -6.327 1.926 -8.846 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.302 2.235 -9.933 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.618 1.325 -7.631 1.00 0.00 C ATOM 0 H VAL A 35 -5.734 3.318 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.962 3.931 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.054 1.205 -9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.778 1.320 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.810 2.641 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.584 2.965 -9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.100 0.413 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.896 2.042 -7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.352 1.092 -6.860 1.00 0.00 H new ATOM 589 N ALA A 36 -8.774 2.118 -7.154 1.00 0.00 N ATOM 590 CA ALA A 36 -10.180 1.759 -6.859 1.00 0.00 C ATOM 591 C ALA A 36 -11.000 3.048 -6.817 1.00 0.00 C ATOM 592 O ALA A 36 -12.176 3.066 -7.125 1.00 0.00 O ATOM 593 CB ALA A 36 -10.250 1.037 -5.517 1.00 0.00 C ATOM 0 H ALA A 36 -8.080 1.757 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.578 1.095 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.285 0.773 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.645 0.131 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.870 1.691 -4.732 1.00 0.00 H new ATOM 599 N SER A 37 -10.378 4.135 -6.460 1.00 0.00 N ATOM 600 CA SER A 37 -11.106 5.429 -6.420 1.00 0.00 C ATOM 601 C SER A 37 -11.138 6.024 -7.832 1.00 0.00 C ATOM 602 O SER A 37 -11.871 6.953 -8.106 1.00 0.00 O ATOM 603 CB SER A 37 -10.387 6.392 -5.474 1.00 0.00 C ATOM 604 OG SER A 37 -10.784 6.120 -4.138 1.00 0.00 O ATOM 0 H SER A 37 -9.394 4.182 -6.194 1.00 0.00 H new ATOM 0 HA SER A 37 -12.123 5.270 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.307 6.281 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.627 7.423 -5.734 1.00 0.00 H new ATOM 0 HG SER A 37 -10.180 5.456 -3.746 1.00 0.00 H new ATOM 610 N LYS A 38 -10.342 5.498 -8.729 1.00 0.00 N ATOM 611 CA LYS A 38 -10.323 6.035 -10.111 1.00 0.00 C ATOM 612 C LYS A 38 -11.593 5.619 -10.850 1.00 0.00 C ATOM 613 O LYS A 38 -12.335 6.456 -11.326 1.00 0.00 O ATOM 614 CB LYS A 38 -9.111 5.484 -10.859 1.00 0.00 C ATOM 615 CG LYS A 38 -8.139 6.623 -11.171 1.00 0.00 C ATOM 616 CD LYS A 38 -7.914 7.462 -9.913 1.00 0.00 C ATOM 617 CE LYS A 38 -8.440 8.879 -10.144 1.00 0.00 C ATOM 618 NZ LYS A 38 -9.449 9.212 -9.099 1.00 0.00 N ATOM 0 H LYS A 38 -9.706 4.719 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.268 7.123 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.614 4.723 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.430 5.001 -11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.191 6.219 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.538 7.247 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.424 7.007 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.852 7.492 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.617 9.593 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.888 8.955 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.405 9.043 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.293 8.613 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.354 10.212 -8.831 1.00 0.00 H new ATOM 632 N GLY A 39 -11.853 4.342 -10.980 1.00 0.00 N ATOM 633 CA GLY A 39 -13.081 3.949 -11.722 1.00 0.00 C ATOM 634 C GLY A 39 -13.322 2.433 -11.730 1.00 0.00 C ATOM 635 O GLY A 39 -14.056 1.936 -12.561 1.00 0.00 O ATOM 0 H GLY A 39 -11.285 3.577 -10.615 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.942 4.445 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.006 4.304 -12.750 1.00 0.00 H new ATOM 639 N PHE A 40 -12.702 1.679 -10.871 1.00 0.00 N ATOM 640 CA PHE A 40 -12.903 0.209 -10.923 1.00 0.00 C ATOM 641 C PHE A 40 -14.224 -0.297 -10.285 1.00 0.00 C ATOM 642 O PHE A 40 -14.842 -1.160 -10.875 1.00 0.00 O ATOM 643 CB PHE A 40 -11.655 -0.415 -10.383 1.00 0.00 C ATOM 644 CG PHE A 40 -10.589 0.120 -11.293 1.00 0.00 C ATOM 645 CD1 PHE A 40 -10.348 -0.501 -12.520 1.00 0.00 C ATOM 646 CD2 PHE A 40 -9.912 1.287 -10.954 1.00 0.00 C ATOM 647 CE1 PHE A 40 -9.421 0.048 -13.407 1.00 0.00 C ATOM 648 CE2 PHE A 40 -8.973 1.830 -11.832 1.00 0.00 C ATOM 649 CZ PHE A 40 -8.729 1.210 -13.062 1.00 0.00 C ATOM 0 H PHE A 40 -12.071 2.012 -10.142 1.00 0.00 H new ATOM 0 HA PHE A 40 -13.054 -0.107 -11.955 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.479 -0.132 -9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -11.702 -1.504 -10.413 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.878 -1.405 -12.782 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.113 1.773 -10.011 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.239 -0.426 -14.360 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.436 2.727 -11.562 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.005 1.630 -13.745 1.00 0.00 H new ATOM 659 N PRO A 41 -14.734 0.293 -9.214 1.00 0.00 N ATOM 660 CA PRO A 41 -14.131 1.350 -8.378 1.00 0.00 C ATOM 661 C PRO A 41 -13.713 0.780 -6.996 1.00 0.00 C ATOM 662 O PRO A 41 -12.570 0.860 -6.599 1.00 0.00 O ATOM 663 CB PRO A 41 -15.320 2.282 -8.142 1.00 0.00 C ATOM 664 CG PRO A 41 -16.596 1.400 -8.292 1.00 0.00 C ATOM 665 CD PRO A 41 -16.127 0.035 -8.836 1.00 0.00 C ATOM 0 HA PRO A 41 -13.252 1.804 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.272 2.732 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.324 3.099 -8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.100 1.282 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.310 1.864 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.202 -0.748 -8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.724 -0.286 -9.689 1.00 0.00 H new ATOM 673 N TRP A 42 -14.681 0.250 -6.252 1.00 0.00 N ATOM 674 CA TRP A 42 -14.445 -0.294 -4.864 1.00 0.00 C ATOM 675 C TRP A 42 -12.984 -0.669 -4.622 1.00 0.00 C ATOM 676 O TRP A 42 -12.283 -1.138 -5.497 1.00 0.00 O ATOM 677 CB TRP A 42 -15.389 -1.480 -4.587 1.00 0.00 C ATOM 678 CG TRP A 42 -14.778 -2.799 -4.955 1.00 0.00 C ATOM 679 CD1 TRP A 42 -14.796 -3.905 -4.171 1.00 0.00 C ATOM 680 CD2 TRP A 42 -14.099 -3.185 -6.182 1.00 0.00 C ATOM 681 NE1 TRP A 42 -14.170 -4.943 -4.843 1.00 0.00 N ATOM 682 CE2 TRP A 42 -13.721 -4.546 -6.082 1.00 0.00 C ATOM 683 CE3 TRP A 42 -13.774 -2.495 -7.356 1.00 0.00 C ATOM 684 CZ2 TRP A 42 -13.049 -5.196 -7.115 1.00 0.00 C ATOM 685 CZ3 TRP A 42 -13.099 -3.142 -8.397 1.00 0.00 C ATOM 686 CH2 TRP A 42 -12.738 -4.493 -8.278 1.00 0.00 C ATOM 0 H TRP A 42 -15.649 0.173 -6.565 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.673 0.503 -4.156 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -15.655 -1.489 -3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -16.314 -1.343 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -15.228 -3.967 -3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.056 -5.884 -4.466 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -14.046 -1.455 -7.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -12.772 -6.235 -7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.854 -2.598 -9.298 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.220 -4.987 -9.086 1.00 0.00 H new ATOM 697 N ASP A 43 -12.521 -0.408 -3.426 1.00 0.00 N ATOM 698 CA ASP A 43 -11.099 -0.671 -3.079 1.00 0.00 C ATOM 699 C ASP A 43 -10.826 -2.138 -2.781 1.00 0.00 C ATOM 700 O ASP A 43 -10.597 -2.517 -1.649 1.00 0.00 O ATOM 701 CB ASP A 43 -10.713 0.168 -1.860 1.00 0.00 C ATOM 702 CG ASP A 43 -11.447 1.510 -1.910 1.00 0.00 C ATOM 703 OD1 ASP A 43 -11.806 1.926 -2.999 1.00 0.00 O ATOM 704 OD2 ASP A 43 -11.637 2.098 -0.859 1.00 0.00 O ATOM 0 H ASP A 43 -13.080 -0.018 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.499 -0.398 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.968 -0.364 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.635 0.331 -1.844 1.00 0.00 H new ATOM 709 N GLU A 44 -10.786 -2.957 -3.789 1.00 0.00 N ATOM 710 CA GLU A 44 -10.458 -4.378 -3.553 1.00 0.00 C ATOM 711 C GLU A 44 -9.822 -4.962 -4.813 1.00 0.00 C ATOM 712 O GLU A 44 -9.783 -6.161 -5.008 1.00 0.00 O ATOM 713 CB GLU A 44 -11.712 -5.165 -3.195 1.00 0.00 C ATOM 714 CG GLU A 44 -12.598 -4.335 -2.263 1.00 0.00 C ATOM 715 CD GLU A 44 -13.786 -5.181 -1.802 1.00 0.00 C ATOM 716 OE1 GLU A 44 -13.910 -6.300 -2.273 1.00 0.00 O ATOM 717 OE2 GLU A 44 -14.551 -4.697 -0.984 1.00 0.00 O ATOM 0 H GLU A 44 -10.966 -2.703 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.759 -4.448 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.262 -5.422 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.438 -6.103 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.022 -3.997 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.952 -3.443 -2.779 1.00 0.00 H new ATOM 724 N TYR A 45 -9.313 -4.117 -5.662 1.00 0.00 N ATOM 725 CA TYR A 45 -8.663 -4.602 -6.908 1.00 0.00 C ATOM 726 C TYR A 45 -7.172 -4.792 -6.636 1.00 0.00 C ATOM 727 O TYR A 45 -6.545 -3.992 -5.971 1.00 0.00 O ATOM 728 CB TYR A 45 -8.824 -3.544 -7.998 1.00 0.00 C ATOM 729 CG TYR A 45 -9.656 -4.056 -9.158 1.00 0.00 C ATOM 730 CD1 TYR A 45 -9.413 -5.304 -9.740 1.00 0.00 C ATOM 731 CD2 TYR A 45 -10.646 -3.235 -9.681 1.00 0.00 C ATOM 732 CE1 TYR A 45 -10.170 -5.718 -10.849 1.00 0.00 C ATOM 733 CE2 TYR A 45 -11.410 -3.651 -10.785 1.00 0.00 C ATOM 734 CZ TYR A 45 -11.168 -4.892 -11.368 1.00 0.00 C ATOM 735 OH TYR A 45 -11.909 -5.302 -12.457 1.00 0.00 O ATOM 0 H TYR A 45 -9.319 -3.104 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.118 -5.540 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.295 -2.656 -7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.841 -3.242 -8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.645 -5.948 -9.338 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.831 -2.269 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.979 -6.680 -11.302 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.183 -3.009 -11.180 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.561 -4.608 -12.689 1.00 0.00 H new ATOM 745 N LYS A 46 -6.596 -5.831 -7.156 1.00 0.00 N ATOM 746 CA LYS A 46 -5.141 -6.063 -6.946 1.00 0.00 C ATOM 747 C LYS A 46 -4.402 -5.661 -8.216 1.00 0.00 C ATOM 748 O LYS A 46 -4.784 -6.023 -9.310 1.00 0.00 O ATOM 749 CB LYS A 46 -4.890 -7.543 -6.652 1.00 0.00 C ATOM 750 CG LYS A 46 -5.857 -8.019 -5.566 1.00 0.00 C ATOM 751 CD LYS A 46 -5.912 -9.547 -5.566 1.00 0.00 C ATOM 752 CE LYS A 46 -6.371 -10.041 -6.939 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.760 -11.478 -6.846 1.00 0.00 N ATOM 0 H LYS A 46 -7.070 -6.536 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.787 -5.472 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.026 -8.133 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.860 -7.691 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.532 -7.656 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.851 -7.609 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.930 -9.957 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.597 -9.897 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.215 -9.446 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.571 -9.916 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.549 -11.667 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.948 -12.075 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.055 -11.696 -5.873 1.00 0.00 H new ATOM 767 N LEU A 47 -3.354 -4.908 -8.084 1.00 0.00 N ATOM 768 CA LEU A 47 -2.601 -4.472 -9.284 1.00 0.00 C ATOM 769 C LEU A 47 -1.457 -5.450 -9.544 1.00 0.00 C ATOM 770 O LEU A 47 -0.939 -6.060 -8.639 1.00 0.00 O ATOM 771 CB LEU A 47 -2.040 -3.077 -9.029 1.00 0.00 C ATOM 772 CG LEU A 47 -3.189 -2.131 -8.683 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.725 -1.127 -7.630 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.627 -1.390 -9.945 1.00 0.00 C ATOM 0 H LEU A 47 -2.985 -4.574 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.258 -4.451 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.318 -3.106 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.510 -2.718 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.028 -2.702 -8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.545 -0.453 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.412 -1.660 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.887 -0.551 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.447 -0.714 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.788 -0.817 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.959 -2.110 -10.693 1.00 0.00 H new ATOM 786 N LEU A 48 -1.068 -5.617 -10.774 1.00 0.00 N ATOM 787 CA LEU A 48 0.040 -6.561 -11.080 1.00 0.00 C ATOM 788 C LEU A 48 1.253 -5.760 -11.551 1.00 0.00 C ATOM 789 O LEU A 48 1.186 -5.036 -12.525 1.00 0.00 O ATOM 790 CB LEU A 48 -0.413 -7.533 -12.179 1.00 0.00 C ATOM 791 CG LEU A 48 0.795 -8.239 -12.812 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.437 -7.326 -13.858 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.826 -8.582 -11.733 1.00 0.00 C ATOM 0 H LEU A 48 -1.469 -5.141 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 48 0.307 -7.132 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.094 -8.273 -11.759 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.966 -6.990 -12.946 1.00 0.00 H new ATOM 0 HG LEU A 48 0.457 -9.158 -13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.294 -7.831 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.708 -7.093 -14.634 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.767 -6.403 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.679 -9.082 -12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.161 -7.666 -11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.373 -9.242 -10.993 1.00 0.00 H new ATOM 805 N SER A 49 2.365 -5.872 -10.872 1.00 0.00 N ATOM 806 CA SER A 49 3.562 -5.099 -11.303 1.00 0.00 C ATOM 807 C SER A 49 4.152 -5.769 -12.541 1.00 0.00 C ATOM 808 O SER A 49 4.489 -6.941 -12.525 1.00 0.00 O ATOM 809 CB SER A 49 4.603 -5.072 -10.185 1.00 0.00 C ATOM 810 OG SER A 49 4.356 -6.142 -9.283 1.00 0.00 O ATOM 0 H SER A 49 2.494 -6.459 -10.048 1.00 0.00 H new ATOM 0 HA SER A 49 3.274 -4.073 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.605 -5.160 -10.604 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.561 -4.120 -9.657 1.00 0.00 H new ATOM 0 HG SER A 49 4.228 -6.972 -9.788 1.00 0.00 H new ATOM 816 N THR A 50 4.255 -5.036 -13.618 1.00 0.00 N ATOM 817 CA THR A 50 4.791 -5.617 -14.881 1.00 0.00 C ATOM 818 C THR A 50 6.318 -5.700 -14.838 1.00 0.00 C ATOM 819 O THR A 50 6.894 -6.712 -15.180 1.00 0.00 O ATOM 820 CB THR A 50 4.365 -4.736 -16.059 1.00 0.00 C ATOM 821 OG1 THR A 50 5.133 -3.541 -16.055 1.00 0.00 O ATOM 822 CG2 THR A 50 2.878 -4.389 -15.933 1.00 0.00 C ATOM 0 H THR A 50 3.989 -4.053 -13.676 1.00 0.00 H new ATOM 0 HA THR A 50 4.393 -6.625 -14.999 1.00 0.00 H new ATOM 0 HB THR A 50 4.531 -5.274 -16.992 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.725 -2.892 -15.445 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.578 -3.762 -16.773 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.289 -5.306 -15.936 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.708 -3.852 -15.000 1.00 0.00 H new ATOM 830 N PHE A 51 6.984 -4.647 -14.443 1.00 0.00 N ATOM 831 CA PHE A 51 8.474 -4.692 -14.411 1.00 0.00 C ATOM 832 C PHE A 51 8.933 -6.025 -13.805 1.00 0.00 C ATOM 833 O PHE A 51 9.558 -6.814 -14.485 1.00 0.00 O ATOM 834 CB PHE A 51 9.025 -3.516 -13.601 1.00 0.00 C ATOM 835 CG PHE A 51 9.781 -2.585 -14.519 1.00 0.00 C ATOM 836 CD1 PHE A 51 9.155 -2.059 -15.656 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.109 -2.249 -14.232 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.857 -1.196 -16.505 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.811 -1.386 -15.084 1.00 0.00 C ATOM 840 CZ PHE A 51 11.186 -0.860 -16.220 1.00 0.00 C ATOM 0 H PHE A 51 6.565 -3.766 -14.144 1.00 0.00 H new ATOM 0 HA PHE A 51 8.857 -4.613 -15.428 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.209 -2.981 -13.114 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.683 -3.880 -12.812 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.131 -2.319 -15.878 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.592 -2.654 -13.355 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.373 -0.789 -17.381 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.836 -1.126 -14.864 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.728 -0.195 -16.876 1.00 0.00 H new ATOM 850 N PRO A 52 8.602 -6.259 -12.555 1.00 0.00 N ATOM 851 CA PRO A 52 8.969 -7.514 -11.879 1.00 0.00 C ATOM 852 C PRO A 52 7.971 -8.610 -12.262 1.00 0.00 C ATOM 853 O PRO A 52 8.215 -9.784 -12.070 1.00 0.00 O ATOM 854 CB PRO A 52 8.839 -7.178 -10.394 1.00 0.00 C ATOM 855 CG PRO A 52 7.863 -5.982 -10.305 1.00 0.00 C ATOM 856 CD PRO A 52 7.849 -5.317 -11.697 1.00 0.00 C ATOM 0 HA PRO A 52 9.963 -7.874 -12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.460 -8.032 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.808 -6.922 -9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.864 -6.318 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.186 -5.275 -9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.831 -5.174 -12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.321 -4.335 -11.674 1.00 0.00 H new ATOM 864 N ARG A 53 6.838 -8.225 -12.789 1.00 0.00 N ATOM 865 CA ARG A 53 5.812 -9.235 -13.171 1.00 0.00 C ATOM 866 C ARG A 53 5.353 -9.961 -11.908 1.00 0.00 C ATOM 867 O ARG A 53 5.315 -11.175 -11.856 1.00 0.00 O ATOM 868 CB ARG A 53 6.420 -10.243 -14.149 1.00 0.00 C ATOM 869 CG ARG A 53 5.722 -10.124 -15.504 1.00 0.00 C ATOM 870 CD ARG A 53 4.641 -11.202 -15.617 1.00 0.00 C ATOM 871 NE ARG A 53 4.353 -11.468 -17.055 1.00 0.00 N ATOM 872 CZ ARG A 53 4.610 -12.641 -17.566 1.00 0.00 C ATOM 873 NH1 ARG A 53 5.740 -12.852 -18.182 1.00 0.00 N ATOM 874 NH2 ARG A 53 3.735 -13.604 -17.460 1.00 0.00 N ATOM 0 H ARG A 53 6.581 -7.255 -12.971 1.00 0.00 H new ATOM 0 HA ARG A 53 4.965 -8.744 -13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.488 -10.058 -14.261 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.311 -11.255 -13.759 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.277 -9.135 -15.610 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.447 -10.235 -16.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.972 -12.117 -15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.734 -10.877 -15.107 1.00 0.00 H new ATOM 0 HE ARG A 53 3.955 -10.733 -17.640 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.424 -12.100 -18.265 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.940 -13.769 -18.581 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.851 -13.439 -16.978 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.935 -14.521 -17.859 1.00 0.00 H new ATOM 888 N ARG A 54 5.017 -9.227 -10.881 1.00 0.00 N ATOM 889 CA ARG A 54 4.579 -9.881 -9.616 1.00 0.00 C ATOM 890 C ARG A 54 3.340 -9.182 -9.053 1.00 0.00 C ATOM 891 O ARG A 54 2.965 -8.110 -9.484 1.00 0.00 O ATOM 892 CB ARG A 54 5.716 -9.811 -8.598 1.00 0.00 C ATOM 893 CG ARG A 54 5.899 -8.366 -8.130 1.00 0.00 C ATOM 894 CD ARG A 54 7.017 -8.307 -7.087 1.00 0.00 C ATOM 895 NE ARG A 54 8.187 -9.096 -7.564 1.00 0.00 N ATOM 896 CZ ARG A 54 9.379 -8.564 -7.555 1.00 0.00 C ATOM 897 NH1 ARG A 54 9.670 -7.629 -6.694 1.00 0.00 N ATOM 898 NH2 ARG A 54 10.280 -8.969 -8.408 1.00 0.00 N ATOM 0 H ARG A 54 5.027 -8.207 -10.864 1.00 0.00 H new ATOM 0 HA ARG A 54 4.327 -10.921 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.495 -10.454 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.640 -10.179 -9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.143 -7.726 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.969 -7.990 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.311 -7.272 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.662 -8.703 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 54 8.057 -10.051 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.966 -7.313 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.602 -7.214 -6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.053 -9.701 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.212 -8.554 -8.401 1.00 0.00 H new ATOM 912 N ASP A 55 2.702 -9.788 -8.087 1.00 0.00 N ATOM 913 CA ASP A 55 1.484 -9.174 -7.484 1.00 0.00 C ATOM 914 C ASP A 55 1.815 -7.777 -6.952 1.00 0.00 C ATOM 915 O ASP A 55 2.481 -7.629 -5.949 1.00 0.00 O ATOM 916 CB ASP A 55 0.985 -10.058 -6.340 1.00 0.00 C ATOM 917 CG ASP A 55 -0.498 -9.781 -6.093 1.00 0.00 C ATOM 918 OD1 ASP A 55 -0.831 -8.639 -5.825 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.277 -10.717 -6.176 1.00 0.00 O ATOM 0 H ASP A 55 2.974 -10.686 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 55 0.707 -9.089 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.134 -11.109 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.559 -9.859 -5.435 1.00 0.00 H new ATOM 924 N VAL A 56 1.341 -6.764 -7.634 1.00 0.00 N ATOM 925 CA VAL A 56 1.591 -5.344 -7.233 1.00 0.00 C ATOM 926 C VAL A 56 2.894 -5.210 -6.448 1.00 0.00 C ATOM 927 O VAL A 56 2.960 -5.472 -5.273 1.00 0.00 O ATOM 928 CB VAL A 56 0.408 -4.801 -6.423 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.457 -5.311 -4.986 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.464 -3.273 -6.436 1.00 0.00 C ATOM 0 H VAL A 56 0.775 -6.866 -8.476 1.00 0.00 H new ATOM 0 HA VAL A 56 1.691 -4.750 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.524 -5.146 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.392 -4.913 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.413 -6.400 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.384 -4.985 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.373 -2.873 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.401 -2.939 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.403 -2.915 -7.464 1.00 0.00 H new ATOM 940 N THR A 57 3.916 -4.780 -7.129 1.00 0.00 N ATOM 941 CA THR A 57 5.271 -4.579 -6.521 1.00 0.00 C ATOM 942 C THR A 57 5.391 -5.143 -5.091 1.00 0.00 C ATOM 943 O THR A 57 5.367 -4.414 -4.119 1.00 0.00 O ATOM 944 CB THR A 57 5.595 -3.083 -6.514 1.00 0.00 C ATOM 945 OG1 THR A 57 6.400 -2.780 -5.385 1.00 0.00 O ATOM 946 CG2 THR A 57 4.297 -2.270 -6.460 1.00 0.00 C ATOM 0 H THR A 57 3.871 -4.549 -8.122 1.00 0.00 H new ATOM 0 HA THR A 57 5.984 -5.133 -7.132 1.00 0.00 H new ATOM 0 HB THR A 57 6.137 -2.826 -7.424 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.281 -2.472 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.534 -1.206 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.686 -2.502 -7.332 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.747 -2.523 -5.554 1.00 0.00 H new ATOM 954 N GLN A 58 5.567 -6.434 -4.971 1.00 0.00 N ATOM 955 CA GLN A 58 5.757 -7.071 -3.622 1.00 0.00 C ATOM 956 C GLN A 58 4.439 -7.248 -2.856 1.00 0.00 C ATOM 957 O GLN A 58 4.397 -7.935 -1.855 1.00 0.00 O ATOM 958 CB GLN A 58 6.712 -6.217 -2.788 1.00 0.00 C ATOM 959 CG GLN A 58 7.932 -7.052 -2.395 1.00 0.00 C ATOM 960 CD GLN A 58 8.533 -6.500 -1.102 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.965 -6.657 -0.039 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.667 -5.857 -1.147 1.00 0.00 N ATOM 0 H GLN A 58 5.588 -7.085 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 58 6.170 -8.065 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.025 -5.342 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.205 -5.852 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.644 -8.094 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.674 -7.028 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.144 -5.725 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.077 -5.486 -0.290 1.00 0.00 H new ATOM 971 N LEU A 59 3.371 -6.650 -3.294 1.00 0.00 N ATOM 972 CA LEU A 59 2.082 -6.814 -2.562 1.00 0.00 C ATOM 973 C LEU A 59 2.171 -6.144 -1.192 1.00 0.00 C ATOM 974 O LEU A 59 3.063 -5.363 -0.929 1.00 0.00 O ATOM 975 CB LEU A 59 1.786 -8.304 -2.382 1.00 0.00 C ATOM 976 CG LEU A 59 0.717 -8.732 -3.384 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.567 -10.255 -3.348 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.617 -8.081 -3.017 1.00 0.00 C ATOM 0 H LEU A 59 3.331 -6.057 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 59 1.282 -6.347 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.695 -8.887 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.446 -8.498 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 59 1.011 -8.418 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.196 -10.562 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.517 -10.720 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.273 -10.568 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.380 -8.387 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.912 -8.395 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.511 -6.996 -3.041 1.00 0.00 H new ATOM 990 N ASP A 60 1.245 -6.444 -0.320 1.00 0.00 N ATOM 991 CA ASP A 60 1.259 -5.828 1.036 1.00 0.00 C ATOM 992 C ASP A 60 0.712 -4.399 0.949 1.00 0.00 C ATOM 993 O ASP A 60 1.460 -3.456 0.770 1.00 0.00 O ATOM 994 CB ASP A 60 2.691 -5.803 1.578 1.00 0.00 C ATOM 995 CG ASP A 60 2.660 -5.589 3.092 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.259 -4.516 3.510 1.00 0.00 O ATOM 997 OD2 ASP A 60 3.039 -6.502 3.806 1.00 0.00 O ATOM 0 H ASP A 60 0.477 -7.093 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 60 0.635 -6.415 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.197 -6.740 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.259 -5.005 1.099 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.585 -4.285 1.088 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.277 -2.985 1.027 1.00 0.00 C ATOM 1004 C PRO A 61 -0.944 -2.159 2.261 1.00 0.00 C ATOM 1005 O PRO A 61 -1.157 -0.963 2.307 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.761 -3.364 0.982 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.861 -4.795 1.555 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.476 -5.436 1.351 1.00 0.00 C ATOM 0 HA PRO A 61 -0.986 -2.375 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.358 -2.667 1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.141 -3.327 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.128 -4.774 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.634 -5.367 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.160 -5.992 2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.480 -6.137 0.516 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.403 -2.794 3.253 1.00 0.00 N ATOM 1017 CA ASN A 62 -0.033 -2.067 4.494 1.00 0.00 C ATOM 1018 C ASN A 62 1.444 -1.686 4.428 1.00 0.00 C ATOM 1019 O ASN A 62 1.977 -1.071 5.330 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.275 -2.970 5.706 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.195 -2.256 6.700 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -2.365 -2.569 6.793 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -0.711 -1.306 7.451 1.00 0.00 N ATOM 0 H ASN A 62 -0.199 -3.793 3.260 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.640 -1.167 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.726 -3.910 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.673 -3.216 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.315 -0.825 8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.272 -1.044 7.372 1.00 0.00 H new ATOM 1030 N LYS A 63 2.114 -2.046 3.367 1.00 0.00 N ATOM 1031 CA LYS A 63 3.552 -1.702 3.251 1.00 0.00 C ATOM 1032 C LYS A 63 3.695 -0.318 2.619 1.00 0.00 C ATOM 1033 O LYS A 63 2.812 0.163 1.934 1.00 0.00 O ATOM 1034 CB LYS A 63 4.258 -2.739 2.377 1.00 0.00 C ATOM 1035 CG LYS A 63 5.124 -3.645 3.257 1.00 0.00 C ATOM 1036 CD LYS A 63 6.045 -4.488 2.373 1.00 0.00 C ATOM 1037 CE LYS A 63 6.848 -5.454 3.247 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.955 -4.715 3.918 1.00 0.00 N ATOM 0 H LYS A 63 1.725 -2.563 2.578 1.00 0.00 H new ATOM 0 HA LYS A 63 4.005 -1.697 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.523 -3.335 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.876 -2.241 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.716 -3.042 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.491 -4.293 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.457 -5.044 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.720 -3.842 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.198 -5.912 3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.253 -6.262 2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.088 -5.087 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.834 -4.838 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.717 -3.704 3.968 1.00 0.00 H new ATOM 1052 N SER A 64 4.811 0.316 2.831 1.00 0.00 N ATOM 1053 CA SER A 64 5.030 1.660 2.236 1.00 0.00 C ATOM 1054 C SER A 64 5.687 1.453 0.878 1.00 0.00 C ATOM 1055 O SER A 64 6.027 0.345 0.519 1.00 0.00 O ATOM 1056 CB SER A 64 5.951 2.483 3.137 1.00 0.00 C ATOM 1057 OG SER A 64 7.302 2.129 2.875 1.00 0.00 O ATOM 0 H SER A 64 5.584 -0.040 3.393 1.00 0.00 H new ATOM 0 HA SER A 64 4.086 2.195 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.800 3.547 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.712 2.301 4.185 1.00 0.00 H new ATOM 0 HG SER A 64 7.896 2.656 3.450 1.00 0.00 H new ATOM 1063 N LEU A 65 5.846 2.480 0.098 1.00 0.00 N ATOM 1064 CA LEU A 65 6.452 2.267 -1.238 1.00 0.00 C ATOM 1065 C LEU A 65 7.935 1.962 -1.095 1.00 0.00 C ATOM 1066 O LEU A 65 8.438 1.078 -1.736 1.00 0.00 O ATOM 1067 CB LEU A 65 6.261 3.509 -2.100 1.00 0.00 C ATOM 1068 CG LEU A 65 4.845 3.507 -2.670 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.614 4.797 -3.437 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.662 2.324 -3.624 1.00 0.00 C ATOM 0 H LEU A 65 5.588 3.441 0.322 1.00 0.00 H new ATOM 0 HA LEU A 65 5.960 1.421 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.426 4.408 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.992 3.522 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 65 4.132 3.422 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.604 4.801 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.737 5.647 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.336 4.871 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.648 2.333 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.376 2.403 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.831 1.392 -3.085 1.00 0.00 H new ATOM 1082 N LEU A 66 8.651 2.661 -0.264 1.00 0.00 N ATOM 1083 CA LEU A 66 10.105 2.350 -0.133 1.00 0.00 C ATOM 1084 C LEU A 66 10.289 0.840 0.048 1.00 0.00 C ATOM 1085 O LEU A 66 11.109 0.227 -0.605 1.00 0.00 O ATOM 1086 CB LEU A 66 10.688 3.063 1.098 1.00 0.00 C ATOM 1087 CG LEU A 66 11.355 4.410 0.747 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.671 4.524 -0.748 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.424 5.549 1.159 1.00 0.00 C ATOM 0 H LEU A 66 8.305 3.421 0.322 1.00 0.00 H new ATOM 0 HA LEU A 66 10.619 2.689 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.893 3.234 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.421 2.413 1.576 1.00 0.00 H new ATOM 0 HG LEU A 66 12.299 4.470 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.139 5.488 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.351 3.723 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.748 4.443 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.888 6.505 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.478 5.457 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.241 5.499 2.232 1.00 0.00 H new ATOM 1101 N GLU A 67 9.541 0.235 0.926 1.00 0.00 N ATOM 1102 CA GLU A 67 9.700 -1.238 1.139 1.00 0.00 C ATOM 1103 C GLU A 67 9.408 -1.970 -0.168 1.00 0.00 C ATOM 1104 O GLU A 67 10.019 -2.973 -0.479 1.00 0.00 O ATOM 1105 CB GLU A 67 8.739 -1.760 2.221 1.00 0.00 C ATOM 1106 CG GLU A 67 8.062 -0.606 2.959 1.00 0.00 C ATOM 1107 CD GLU A 67 7.417 -1.129 4.245 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.074 -1.875 4.952 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.278 -0.774 4.499 1.00 0.00 O ATOM 0 H GLU A 67 8.832 0.687 1.503 1.00 0.00 H new ATOM 0 HA GLU A 67 10.723 -1.421 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.982 -2.397 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.288 -2.378 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.793 0.167 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.306 -0.146 2.322 1.00 0.00 H new ATOM 1116 N VAL A 68 8.482 -1.477 -0.940 1.00 0.00 N ATOM 1117 CA VAL A 68 8.162 -2.152 -2.230 1.00 0.00 C ATOM 1118 C VAL A 68 8.760 -1.353 -3.393 1.00 0.00 C ATOM 1119 O VAL A 68 8.472 -1.621 -4.541 1.00 0.00 O ATOM 1120 CB VAL A 68 6.643 -2.245 -2.397 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.049 -3.049 -1.238 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.027 -0.846 -2.402 1.00 0.00 C ATOM 0 H VAL A 68 7.935 -0.641 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 68 8.587 -3.156 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 68 6.423 -2.739 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.968 -3.115 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.475 -4.052 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.280 -2.553 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.946 -0.925 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.253 -0.346 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.442 -0.269 -3.228 1.00 0.00 H new ATOM 1132 N LYS A 69 9.577 -0.371 -3.076 1.00 0.00 N ATOM 1133 CA LYS A 69 10.222 0.511 -4.100 1.00 0.00 C ATOM 1134 C LYS A 69 9.746 0.200 -5.526 1.00 0.00 C ATOM 1135 O LYS A 69 10.289 -0.628 -6.222 1.00 0.00 O ATOM 1136 CB LYS A 69 11.762 0.421 -3.973 1.00 0.00 C ATOM 1137 CG LYS A 69 12.355 -0.792 -4.711 1.00 0.00 C ATOM 1138 CD LYS A 69 11.767 -2.098 -4.169 1.00 0.00 C ATOM 1139 CE LYS A 69 11.111 -2.880 -5.308 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.575 -4.295 -5.267 1.00 0.00 N ATOM 0 H LYS A 69 9.829 -0.140 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 69 9.915 1.538 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.208 1.334 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.032 0.365 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.149 -0.710 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.439 -0.800 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.552 -2.698 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.033 -1.883 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.026 -2.839 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.366 -2.430 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.130 -4.829 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.609 -4.325 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.310 -4.721 -4.356 1.00 0.00 H new ATOM 1154 N LEU A 70 8.713 0.873 -5.966 1.00 0.00 N ATOM 1155 CA LEU A 70 8.200 0.631 -7.353 1.00 0.00 C ATOM 1156 C LEU A 70 9.104 1.334 -8.377 1.00 0.00 C ATOM 1157 O LEU A 70 8.623 1.921 -9.326 1.00 0.00 O ATOM 1158 CB LEU A 70 6.777 1.190 -7.508 1.00 0.00 C ATOM 1159 CG LEU A 70 6.043 1.175 -6.167 1.00 0.00 C ATOM 1160 CD1 LEU A 70 4.541 1.355 -6.410 1.00 0.00 C ATOM 1161 CD2 LEU A 70 6.289 -0.162 -5.477 1.00 0.00 C ATOM 0 H LEU A 70 8.204 1.576 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 70 8.195 -0.445 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.821 2.209 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.225 0.597 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 70 6.409 1.985 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.014 1.345 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.365 2.307 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.174 0.542 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.768 -0.179 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.917 -0.970 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.358 -0.294 -5.310 1.00 0.00 H new ATOM 1173 N PHE A 71 10.401 1.281 -8.207 1.00 0.00 N ATOM 1174 CA PHE A 71 11.306 1.949 -9.187 1.00 0.00 C ATOM 1175 C PHE A 71 10.833 3.389 -9.426 1.00 0.00 C ATOM 1176 O PHE A 71 9.842 3.814 -8.869 1.00 0.00 O ATOM 1177 CB PHE A 71 11.276 1.170 -10.504 1.00 0.00 C ATOM 1178 CG PHE A 71 12.648 0.607 -10.788 1.00 0.00 C ATOM 1179 CD1 PHE A 71 13.427 0.103 -9.740 1.00 0.00 C ATOM 1180 CD2 PHE A 71 13.141 0.589 -12.098 1.00 0.00 C ATOM 1181 CE1 PHE A 71 14.700 -0.419 -10.002 1.00 0.00 C ATOM 1182 CE2 PHE A 71 14.414 0.067 -12.360 1.00 0.00 C ATOM 1183 CZ PHE A 71 15.193 -0.437 -11.312 1.00 0.00 C ATOM 0 H PHE A 71 10.869 0.806 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 71 12.323 1.969 -8.796 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.545 0.363 -10.445 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.964 1.824 -11.318 1.00 0.00 H new ATOM 0 HD1 PHE A 71 13.046 0.117 -8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.540 0.978 -12.907 1.00 0.00 H new ATOM 0 HE1 PHE A 71 15.301 -0.808 -9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 71 14.795 0.053 -13.371 1.00 0.00 H new ATOM 0 HZ PHE A 71 16.174 -0.840 -11.514 1.00 0.00 H new ATOM 1193 N PRO A 72 11.556 4.099 -10.255 1.00 0.00 N ATOM 1194 CA PRO A 72 11.221 5.491 -10.594 1.00 0.00 C ATOM 1195 C PRO A 72 10.071 5.513 -11.605 1.00 0.00 C ATOM 1196 O PRO A 72 9.264 6.421 -11.626 1.00 0.00 O ATOM 1197 CB PRO A 72 12.515 6.034 -11.208 1.00 0.00 C ATOM 1198 CG PRO A 72 13.317 4.804 -11.696 1.00 0.00 C ATOM 1199 CD PRO A 72 12.768 3.586 -10.928 1.00 0.00 C ATOM 0 HA PRO A 72 10.891 6.084 -9.741 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.298 6.710 -12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.085 6.603 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.201 4.668 -12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.382 4.935 -11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.531 2.763 -11.603 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.494 3.209 -10.208 1.00 0.00 H new ATOM 1207 N GLN A 73 9.987 4.508 -12.433 1.00 0.00 N ATOM 1208 CA GLN A 73 8.887 4.446 -13.437 1.00 0.00 C ATOM 1209 C GLN A 73 8.435 2.990 -13.580 1.00 0.00 C ATOM 1210 O GLN A 73 9.166 2.154 -14.073 1.00 0.00 O ATOM 1211 CB GLN A 73 9.394 4.962 -14.785 1.00 0.00 C ATOM 1212 CG GLN A 73 10.267 6.199 -14.562 1.00 0.00 C ATOM 1213 CD GLN A 73 10.682 6.785 -15.913 1.00 0.00 C ATOM 1214 OE1 GLN A 73 11.831 7.121 -16.115 1.00 0.00 O ATOM 1215 NE2 GLN A 73 9.786 6.924 -16.853 1.00 0.00 N ATOM 0 H GLN A 73 10.637 3.722 -12.457 1.00 0.00 H new ATOM 0 HA GLN A 73 8.050 5.064 -13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.967 4.186 -15.291 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.552 5.210 -15.432 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.719 6.944 -13.984 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.151 5.933 -13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.821 6.642 -16.683 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.052 7.315 -17.757 1.00 0.00 H new ATOM 1224 N GLU A 74 7.245 2.671 -13.145 1.00 0.00 N ATOM 1225 CA GLU A 74 6.776 1.258 -13.254 1.00 0.00 C ATOM 1226 C GLU A 74 5.314 1.221 -13.723 1.00 0.00 C ATOM 1227 O GLU A 74 4.532 2.097 -13.420 1.00 0.00 O ATOM 1228 CB GLU A 74 6.900 0.580 -11.885 1.00 0.00 C ATOM 1229 CG GLU A 74 8.370 0.528 -11.467 1.00 0.00 C ATOM 1230 CD GLU A 74 9.135 -0.427 -12.386 1.00 0.00 C ATOM 1231 OE1 GLU A 74 9.266 -0.115 -13.558 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.577 -1.455 -11.902 1.00 0.00 O ATOM 0 H GLU A 74 6.582 3.321 -12.722 1.00 0.00 H new ATOM 0 HA GLU A 74 7.390 0.729 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.320 1.129 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.489 -0.428 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.808 1.525 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.452 0.196 -10.432 1.00 0.00 H new ATOM 1239 N THR A 75 4.941 0.209 -14.463 1.00 0.00 N ATOM 1240 CA THR A 75 3.532 0.114 -14.949 1.00 0.00 C ATOM 1241 C THR A 75 2.840 -1.073 -14.273 1.00 0.00 C ATOM 1242 O THR A 75 3.393 -2.151 -14.173 1.00 0.00 O ATOM 1243 CB THR A 75 3.519 -0.084 -16.467 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.084 1.058 -17.097 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.077 -0.272 -16.946 1.00 0.00 C ATOM 0 H THR A 75 5.551 -0.556 -14.752 1.00 0.00 H new ATOM 0 HA THR A 75 3.003 1.035 -14.703 1.00 0.00 H new ATOM 0 HB THR A 75 4.103 -0.967 -16.724 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.078 0.932 -18.069 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.068 -0.413 -18.027 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.644 -1.148 -16.462 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.491 0.611 -16.690 1.00 0.00 H new ATOM 1253 N LEU A 76 1.639 -0.883 -13.798 1.00 0.00 N ATOM 1254 CA LEU A 76 0.919 -1.996 -13.115 1.00 0.00 C ATOM 1255 C LEU A 76 -0.341 -2.373 -13.902 1.00 0.00 C ATOM 1256 O LEU A 76 -0.802 -1.631 -14.739 1.00 0.00 O ATOM 1257 CB LEU A 76 0.515 -1.548 -11.713 1.00 0.00 C ATOM 1258 CG LEU A 76 1.434 -2.194 -10.682 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.803 -1.171 -9.611 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.699 -3.356 -10.027 1.00 0.00 C ATOM 0 H LEU A 76 1.125 -0.004 -13.853 1.00 0.00 H new ATOM 0 HA LEU A 76 1.578 -2.862 -13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.574 -0.462 -11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.520 -1.826 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 76 2.341 -2.550 -11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.460 -1.635 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.316 -0.328 -10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.897 -0.818 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.347 -3.826 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.202 -2.987 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.425 -4.088 -10.787 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.906 -3.523 -13.632 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.147 -3.947 -14.355 1.00 0.00 C ATOM 1274 C PHE A 77 -3.273 -4.168 -13.334 1.00 0.00 C ATOM 1275 O PHE A 77 -3.033 -4.556 -12.212 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.882 -5.253 -15.111 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.887 -5.022 -16.227 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.688 -3.736 -16.751 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.162 -6.104 -16.745 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.231 -3.537 -17.788 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.757 -5.903 -17.781 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.954 -4.619 -18.303 1.00 0.00 C ATOM 0 H PHE A 77 -0.561 -4.189 -12.941 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.438 -3.173 -15.065 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.499 -6.007 -14.424 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.815 -5.639 -15.521 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.244 -2.899 -16.354 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.313 -7.095 -16.344 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.382 -2.547 -18.191 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.314 -6.739 -18.178 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.663 -4.464 -19.102 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.503 -3.915 -13.705 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.625 -4.108 -12.732 1.00 0.00 C ATOM 1294 C LEU A 78 -6.073 -5.580 -12.742 1.00 0.00 C ATOM 1295 O LEU A 78 -6.371 -6.144 -13.776 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.804 -3.206 -13.133 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.366 -2.470 -11.903 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.173 -0.962 -12.063 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.863 -2.748 -11.773 1.00 0.00 C ATOM 0 H LEU A 78 -4.779 -3.586 -14.630 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.288 -3.844 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.477 -2.482 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.588 -3.807 -13.594 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.838 -2.823 -11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.573 -0.449 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.110 -0.739 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.698 -0.621 -12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.256 -2.225 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.377 -2.398 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.025 -3.820 -11.657 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.136 -6.194 -11.587 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.578 -7.621 -11.491 1.00 0.00 C ATOM 1313 C GLU A 79 -7.526 -7.731 -10.296 1.00 0.00 C ATOM 1314 O GLU A 79 -7.186 -7.353 -9.200 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.365 -8.529 -11.275 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.833 -9.975 -11.101 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.617 -10.894 -10.974 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.541 -10.388 -10.700 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.783 -12.090 -11.153 1.00 0.00 O ATOM 0 H GLU A 79 -5.897 -5.762 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.078 -7.929 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.687 -8.455 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.809 -8.207 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.461 -10.061 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.442 -10.276 -11.953 1.00 0.00 H new ATOM 1326 N ALA A 80 -8.726 -8.198 -10.504 1.00 0.00 N ATOM 1327 CA ALA A 80 -9.713 -8.259 -9.381 1.00 0.00 C ATOM 1328 C ALA A 80 -9.583 -9.522 -8.538 1.00 0.00 C ATOM 1329 O ALA A 80 -9.144 -10.562 -8.990 1.00 0.00 O ATOM 1330 CB ALA A 80 -11.125 -8.178 -9.949 1.00 0.00 C ATOM 0 H ALA A 80 -9.069 -8.541 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.504 -7.414 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.848 -8.222 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.246 -7.240 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.292 -9.014 -10.628 1.00 0.00 H new ATOM 1336 N LYS A 81 -9.990 -9.412 -7.299 1.00 0.00 N ATOM 1337 CA LYS A 81 -9.944 -10.561 -6.359 1.00 0.00 C ATOM 1338 C LYS A 81 -10.302 -11.850 -7.102 1.00 0.00 C ATOM 1339 O LYS A 81 -11.145 -11.859 -7.977 1.00 0.00 O ATOM 1340 CB LYS A 81 -10.965 -10.310 -5.243 1.00 0.00 C ATOM 1341 CG LYS A 81 -12.377 -10.426 -5.818 1.00 0.00 C ATOM 1342 CD LYS A 81 -13.405 -10.213 -4.704 1.00 0.00 C ATOM 1343 CE LYS A 81 -14.581 -9.397 -5.244 1.00 0.00 C ATOM 1344 NZ LYS A 81 -15.836 -10.189 -5.119 1.00 0.00 N ATOM 0 H LYS A 81 -10.360 -8.552 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.943 -10.663 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.827 -11.032 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.815 -9.320 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.521 -9.687 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.516 -11.407 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.757 -11.175 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.944 -9.694 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.672 -8.462 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.407 -9.135 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.635 -9.634 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.747 -11.070 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.004 -10.417 -4.118 1.00 0.00 H new ATOM 1358 N GLU A 82 -9.669 -12.939 -6.763 1.00 0.00 N ATOM 1359 CA GLU A 82 -9.977 -14.223 -7.453 1.00 0.00 C ATOM 1360 C GLU A 82 -9.454 -15.391 -6.616 1.00 0.00 C ATOM 1361 O GLU A 82 -8.255 -15.618 -6.635 1.00 0.00 O ATOM 1362 CB GLU A 82 -9.305 -14.239 -8.826 1.00 0.00 C ATOM 1363 CG GLU A 82 -9.561 -15.586 -9.506 1.00 0.00 C ATOM 1364 CD GLU A 82 -9.868 -15.360 -10.987 1.00 0.00 C ATOM 1365 OE1 GLU A 82 -10.449 -14.334 -11.302 1.00 0.00 O ATOM 1366 OE2 GLU A 82 -9.518 -16.217 -11.782 1.00 0.00 O ATOM 1367 OXT GLU A 82 -10.259 -16.039 -5.968 1.00 0.00 O ATOM 0 H GLU A 82 -8.953 -12.995 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.056 -14.319 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.695 -13.429 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.233 -14.071 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.689 -16.231 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.395 -16.096 -9.024 1.00 0.00 H new TER 1374 GLU A 82