USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0484 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= -0.497 (180deg=-1.65!) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -111:sc= 0.892 USER MOD Single : A 48 ASN : amide:sc= -0.769 K(o=-0.77,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 36:sc= 0.394 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.768 -17.798 14.753 1.00 0.00 N ATOM 2 CA GLY A 1 4.864 -18.739 14.612 1.00 0.00 C ATOM 3 C GLY A 1 6.210 -18.050 14.500 1.00 0.00 C ATOM 4 O GLY A 1 6.852 -17.756 15.507 1.00 0.00 O ATOM 0 H1 GLY A 1 2.871 -18.319 14.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.908 -17.228 15.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.739 -17.172 13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.874 -19.411 15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.699 -19.354 13.727 1.00 0.00 H new ATOM 8 N SER A 2 6.640 -17.795 13.268 1.00 0.00 N ATOM 9 CA SER A 2 7.920 -17.142 13.026 1.00 0.00 C ATOM 10 C SER A 2 7.731 -15.849 12.237 1.00 0.00 C ATOM 11 O SER A 2 8.124 -14.772 12.686 1.00 0.00 O ATOM 12 CB SER A 2 8.861 -18.080 12.268 1.00 0.00 C ATOM 13 OG SER A 2 8.242 -18.589 11.100 1.00 0.00 O ATOM 0 H SER A 2 6.120 -18.031 12.423 1.00 0.00 H new ATOM 0 HA SER A 2 8.362 -16.897 13.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.772 -17.546 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.156 -18.905 12.916 1.00 0.00 H new ATOM 0 HG SER A 2 8.865 -19.184 10.633 1.00 0.00 H new ATOM 19 N SER A 3 7.126 -15.965 11.059 1.00 0.00 N ATOM 20 CA SER A 3 6.886 -14.808 10.206 1.00 0.00 C ATOM 21 C SER A 3 6.240 -13.673 10.997 1.00 0.00 C ATOM 22 O SER A 3 5.076 -13.755 11.383 1.00 0.00 O ATOM 23 CB SER A 3 5.994 -15.193 9.025 1.00 0.00 C ATOM 24 OG SER A 3 6.064 -14.225 7.993 1.00 0.00 O ATOM 0 H SER A 3 6.793 -16.849 10.674 1.00 0.00 H new ATOM 0 HA SER A 3 7.848 -14.462 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.299 -16.165 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.963 -15.294 9.363 1.00 0.00 H new ATOM 0 HG SER A 3 5.486 -14.497 7.250 1.00 0.00 H new ATOM 30 N GLY A 4 7.007 -12.613 11.233 1.00 0.00 N ATOM 31 CA GLY A 4 6.495 -11.477 11.977 1.00 0.00 C ATOM 32 C GLY A 4 5.526 -10.642 11.163 1.00 0.00 C ATOM 33 O GLY A 4 4.385 -11.045 10.938 1.00 0.00 O ATOM 0 H GLY A 4 7.974 -12.521 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.996 -11.832 12.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.328 -10.852 12.299 1.00 0.00 H new ATOM 37 N SER A 5 5.981 -9.473 10.724 1.00 0.00 N ATOM 38 CA SER A 5 5.144 -8.575 9.935 1.00 0.00 C ATOM 39 C SER A 5 4.322 -9.356 8.914 1.00 0.00 C ATOM 40 O SER A 5 4.683 -10.467 8.528 1.00 0.00 O ATOM 41 CB SER A 5 6.009 -7.534 9.222 1.00 0.00 C ATOM 42 OG SER A 5 6.278 -6.430 10.067 1.00 0.00 O ATOM 0 H SER A 5 6.923 -9.125 10.901 1.00 0.00 H new ATOM 0 HA SER A 5 4.459 -8.065 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.947 -7.991 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.502 -7.191 8.320 1.00 0.00 H new ATOM 0 HG SER A 5 6.834 -5.780 9.589 1.00 0.00 H new ATOM 48 N SER A 6 3.212 -8.765 8.481 1.00 0.00 N ATOM 49 CA SER A 6 2.336 -9.406 7.508 1.00 0.00 C ATOM 50 C SER A 6 2.604 -8.874 6.103 1.00 0.00 C ATOM 51 O SER A 6 2.619 -9.631 5.133 1.00 0.00 O ATOM 52 CB SER A 6 0.870 -9.175 7.881 1.00 0.00 C ATOM 53 OG SER A 6 0.536 -7.800 7.809 1.00 0.00 O ATOM 0 H SER A 6 2.899 -7.844 8.789 1.00 0.00 H new ATOM 0 HA SER A 6 2.543 -10.476 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.227 -9.744 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.685 -9.545 8.890 1.00 0.00 H new ATOM 0 HG SER A 6 -0.406 -7.679 8.050 1.00 0.00 H new ATOM 59 N GLY A 7 2.815 -7.567 6.001 1.00 0.00 N ATOM 60 CA GLY A 7 3.081 -6.954 4.713 1.00 0.00 C ATOM 61 C GLY A 7 1.824 -6.782 3.883 1.00 0.00 C ATOM 62 O GLY A 7 1.081 -7.739 3.663 1.00 0.00 O ATOM 0 H GLY A 7 2.807 -6.919 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.548 -5.981 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.795 -7.567 4.163 1.00 0.00 H new ATOM 66 N ARG A 8 1.583 -5.559 3.424 1.00 0.00 N ATOM 67 CA ARG A 8 0.404 -5.265 2.617 1.00 0.00 C ATOM 68 C ARG A 8 0.764 -4.365 1.438 1.00 0.00 C ATOM 69 O ARG A 8 1.930 -4.026 1.237 1.00 0.00 O ATOM 70 CB ARG A 8 -0.672 -4.595 3.473 1.00 0.00 C ATOM 71 CG ARG A 8 -1.548 -5.580 4.229 1.00 0.00 C ATOM 72 CD ARG A 8 -2.858 -4.941 4.665 1.00 0.00 C ATOM 73 NE ARG A 8 -3.858 -5.939 5.034 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.889 -6.548 6.213 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.980 -6.262 7.135 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.831 -7.445 6.474 1.00 0.00 N ATOM 0 H ARG A 8 2.188 -4.756 3.597 1.00 0.00 H new ATOM 0 HA ARG A 8 0.016 -6.207 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.192 -3.926 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.302 -3.978 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.756 -6.443 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.012 -5.948 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.675 -4.281 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.246 -4.321 3.856 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.572 -6.182 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.254 -5.572 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.006 -6.732 8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.533 -7.668 5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.853 -7.912 7.381 1.00 0.00 H new ATOM 90 N ARG A 9 -0.245 -3.982 0.664 1.00 0.00 N ATOM 91 CA ARG A 9 -0.035 -3.124 -0.497 1.00 0.00 C ATOM 92 C ARG A 9 -1.264 -2.259 -0.763 1.00 0.00 C ATOM 93 O ARG A 9 -2.397 -2.737 -0.703 1.00 0.00 O ATOM 94 CB ARG A 9 0.284 -3.968 -1.731 1.00 0.00 C ATOM 95 CG ARG A 9 1.617 -4.693 -1.645 1.00 0.00 C ATOM 96 CD ARG A 9 2.067 -5.198 -3.006 1.00 0.00 C ATOM 97 NE ARG A 9 1.569 -6.544 -3.283 1.00 0.00 N ATOM 98 CZ ARG A 9 1.474 -7.055 -4.505 1.00 0.00 C ATOM 99 NH1 ARG A 9 1.841 -6.339 -5.559 1.00 0.00 N ATOM 100 NH2 ARG A 9 1.012 -8.288 -4.675 1.00 0.00 N ATOM 0 H ARG A 9 -1.216 -4.252 0.819 1.00 0.00 H new ATOM 0 HA ARG A 9 0.810 -2.469 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.510 -4.701 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.286 -3.324 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.372 -4.021 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.532 -5.532 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.716 -4.515 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.156 -5.198 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 9 1.279 -7.122 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.198 -5.392 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.766 -6.735 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.730 -8.843 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.939 -8.680 -5.614 1.00 0.00 H new ATOM 114 N ALA A 10 -1.033 -0.983 -1.056 1.00 0.00 N ATOM 115 CA ALA A 10 -2.119 -0.054 -1.332 1.00 0.00 C ATOM 116 C ALA A 10 -2.099 0.397 -2.789 1.00 0.00 C ATOM 117 O ALA A 10 -1.036 0.525 -3.397 1.00 0.00 O ATOM 118 CB ALA A 10 -2.034 1.150 -0.405 1.00 0.00 C ATOM 0 H ALA A 10 -0.102 -0.570 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.061 -0.572 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.853 1.836 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.105 0.818 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.083 1.660 -0.557 1.00 0.00 H new ATOM 124 N LYS A 11 -3.283 0.635 -3.346 1.00 0.00 N ATOM 125 CA LYS A 11 -3.402 1.072 -4.731 1.00 0.00 C ATOM 126 C LYS A 11 -3.787 2.547 -4.807 1.00 0.00 C ATOM 127 O LYS A 11 -4.772 2.971 -4.205 1.00 0.00 O ATOM 128 CB LYS A 11 -4.442 0.223 -5.468 1.00 0.00 C ATOM 129 CG LYS A 11 -4.507 0.499 -6.960 1.00 0.00 C ATOM 130 CD LYS A 11 -5.491 1.610 -7.280 1.00 0.00 C ATOM 131 CE LYS A 11 -6.921 1.095 -7.317 1.00 0.00 C ATOM 132 NZ LYS A 11 -7.807 1.971 -8.132 1.00 0.00 N ATOM 0 H LYS A 11 -4.173 0.532 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.431 0.944 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.214 -0.831 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.423 0.405 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.517 0.773 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.799 -0.410 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.407 2.399 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.238 2.055 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.932 0.085 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.310 1.031 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.769 1.955 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.442 2.945 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.829 1.626 -9.113 1.00 0.00 H new ATOM 146 N ALA A 12 -3.005 3.320 -5.551 1.00 0.00 N ATOM 147 CA ALA A 12 -3.267 4.745 -5.707 1.00 0.00 C ATOM 148 C ALA A 12 -4.485 4.986 -6.593 1.00 0.00 C ATOM 149 O ALA A 12 -4.474 4.671 -7.782 1.00 0.00 O ATOM 150 CB ALA A 12 -2.047 5.447 -6.285 1.00 0.00 C ATOM 0 H ALA A 12 -2.185 2.984 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.478 5.159 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.258 6.511 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.198 5.313 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.810 5.021 -7.260 1.00 0.00 H new ATOM 156 N LEU A 13 -5.536 5.547 -6.004 1.00 0.00 N ATOM 157 CA LEU A 13 -6.764 5.828 -6.740 1.00 0.00 C ATOM 158 C LEU A 13 -6.575 7.015 -7.681 1.00 0.00 C ATOM 159 O LEU A 13 -7.346 7.202 -8.623 1.00 0.00 O ATOM 160 CB LEU A 13 -7.910 6.113 -5.768 1.00 0.00 C ATOM 161 CG LEU A 13 -8.186 5.032 -4.720 1.00 0.00 C ATOM 162 CD1 LEU A 13 -9.130 5.556 -3.649 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.761 3.787 -5.379 1.00 0.00 C ATOM 0 H LEU A 13 -5.562 5.816 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.010 4.949 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.696 7.048 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.820 6.271 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.243 4.764 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.315 4.774 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.680 6.418 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.073 5.852 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.951 3.028 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.695 4.040 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.049 3.400 -6.108 1.00 0.00 H new ATOM 175 N LEU A 14 -5.544 7.810 -7.420 1.00 0.00 N ATOM 176 CA LEU A 14 -5.251 8.977 -8.246 1.00 0.00 C ATOM 177 C LEU A 14 -3.769 9.332 -8.180 1.00 0.00 C ATOM 178 O LEU A 14 -2.979 8.630 -7.549 1.00 0.00 O ATOM 179 CB LEU A 14 -6.094 10.172 -7.792 1.00 0.00 C ATOM 180 CG LEU A 14 -6.041 10.503 -6.301 1.00 0.00 C ATOM 181 CD1 LEU A 14 -6.405 11.962 -6.065 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.968 9.586 -5.517 1.00 0.00 C ATOM 0 H LEU A 14 -4.897 7.669 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.502 8.734 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.772 11.051 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.132 9.983 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.022 10.342 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.362 12.180 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.700 12.603 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.414 12.149 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.917 9.837 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.991 9.714 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.661 8.550 -5.660 1.00 0.00 H new ATOM 194 N ASP A 15 -3.399 10.428 -8.834 1.00 0.00 N ATOM 195 CA ASP A 15 -2.013 10.878 -8.848 1.00 0.00 C ATOM 196 C ASP A 15 -1.722 11.778 -7.651 1.00 0.00 C ATOM 197 O ASP A 15 -2.608 12.472 -7.152 1.00 0.00 O ATOM 198 CB ASP A 15 -1.710 11.625 -10.148 1.00 0.00 C ATOM 199 CG ASP A 15 -1.985 13.112 -10.039 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.166 13.506 -10.142 1.00 0.00 O ATOM 201 OD2 ASP A 15 -1.020 13.882 -9.851 1.00 0.00 O ATOM 0 H ASP A 15 -4.040 11.021 -9.361 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.371 9.999 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.665 11.471 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.312 11.205 -10.954 1.00 0.00 H new ATOM 206 N PHE A 16 -0.475 11.759 -7.192 1.00 0.00 N ATOM 207 CA PHE A 16 -0.068 12.571 -6.052 1.00 0.00 C ATOM 208 C PHE A 16 1.406 12.954 -6.155 1.00 0.00 C ATOM 209 O PHE A 16 2.275 12.091 -6.277 1.00 0.00 O ATOM 210 CB PHE A 16 -0.318 11.815 -4.745 1.00 0.00 C ATOM 211 CG PHE A 16 0.045 12.603 -3.518 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.676 13.730 -3.162 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.110 12.214 -2.721 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.344 14.456 -2.033 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.447 12.935 -1.592 1.00 0.00 C ATOM 216 CZ PHE A 16 0.720 14.059 -1.248 1.00 0.00 C ATOM 0 H PHE A 16 0.271 11.190 -7.592 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.664 13.483 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.371 11.537 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.256 10.888 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.508 14.046 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.683 11.337 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.916 15.332 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.278 12.621 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.984 14.625 -0.367 1.00 0.00 H new ATOM 226 N GLU A 17 1.678 14.254 -6.106 1.00 0.00 N ATOM 227 CA GLU A 17 3.047 14.751 -6.195 1.00 0.00 C ATOM 228 C GLU A 17 3.548 15.214 -4.831 1.00 0.00 C ATOM 229 O GLU A 17 3.269 16.335 -4.402 1.00 0.00 O ATOM 230 CB GLU A 17 3.130 15.903 -7.200 1.00 0.00 C ATOM 231 CG GLU A 17 2.060 16.962 -7.001 1.00 0.00 C ATOM 232 CD GLU A 17 2.217 18.135 -7.947 1.00 0.00 C ATOM 233 OE1 GLU A 17 3.366 18.444 -8.326 1.00 0.00 O ATOM 234 OE2 GLU A 17 1.189 18.746 -8.311 1.00 0.00 O ATOM 0 H GLU A 17 0.970 14.982 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 17 3.682 13.933 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.111 16.371 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.047 15.500 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.078 16.512 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.097 17.322 -5.973 1.00 0.00 H new ATOM 241 N ARG A 18 4.288 14.345 -4.151 1.00 0.00 N ATOM 242 CA ARG A 18 4.826 14.665 -2.834 1.00 0.00 C ATOM 243 C ARG A 18 5.473 16.046 -2.832 1.00 0.00 C ATOM 244 O ARG A 18 5.819 16.583 -3.883 1.00 0.00 O ATOM 245 CB ARG A 18 5.850 13.610 -2.409 1.00 0.00 C ATOM 246 CG ARG A 18 7.183 13.729 -3.130 1.00 0.00 C ATOM 247 CD ARG A 18 7.165 12.992 -4.460 1.00 0.00 C ATOM 248 NE ARG A 18 6.664 13.832 -5.545 1.00 0.00 N ATOM 249 CZ ARG A 18 6.331 13.364 -6.743 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.446 12.072 -7.008 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.884 14.192 -7.678 1.00 0.00 N ATOM 0 H ARG A 18 4.529 13.414 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 18 4.000 14.669 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.019 13.692 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.435 12.619 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.414 14.781 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.976 13.326 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.173 12.653 -4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.541 12.102 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 18 6.564 14.833 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.791 11.433 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.190 11.715 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.796 15.188 -7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.628 13.833 -8.598 1.00 0.00 H new ATOM 265 N HIS A 19 5.631 16.618 -1.642 1.00 0.00 N ATOM 266 CA HIS A 19 6.235 17.937 -1.502 1.00 0.00 C ATOM 267 C HIS A 19 7.548 17.854 -0.728 1.00 0.00 C ATOM 268 O HIS A 19 8.585 18.330 -1.194 1.00 0.00 O ATOM 269 CB HIS A 19 5.273 18.890 -0.792 1.00 0.00 C ATOM 270 CG HIS A 19 3.854 18.762 -1.255 1.00 0.00 C ATOM 271 ND1 HIS A 19 2.805 18.493 -0.401 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.313 18.870 -2.490 1.00 0.00 C ATOM 273 CE1 HIS A 19 1.680 18.438 -1.092 1.00 0.00 C ATOM 274 NE2 HIS A 19 1.960 18.664 -2.362 1.00 0.00 N ATOM 0 H HIS A 19 5.349 16.188 -0.761 1.00 0.00 H new ATOM 0 HA HIS A 19 6.444 18.320 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.315 18.703 0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.607 19.915 -0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.845 19.079 -3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.698 18.242 -0.687 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.283 18.683 -3.124 1.00 0.00 H new ATOM 283 N ASP A 20 7.497 17.248 0.452 1.00 0.00 N ATOM 284 CA ASP A 20 8.683 17.102 1.289 1.00 0.00 C ATOM 285 C ASP A 20 9.454 15.839 0.923 1.00 0.00 C ATOM 286 O ASP A 20 8.886 14.750 0.851 1.00 0.00 O ATOM 287 CB ASP A 20 8.288 17.063 2.766 1.00 0.00 C ATOM 288 CG ASP A 20 9.470 17.299 3.687 1.00 0.00 C ATOM 289 OD1 ASP A 20 10.341 16.410 3.774 1.00 0.00 O ATOM 290 OD2 ASP A 20 9.522 18.376 4.319 1.00 0.00 O ATOM 0 H ASP A 20 6.647 16.849 0.852 1.00 0.00 H new ATOM 0 HA ASP A 20 9.329 17.963 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.526 17.819 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.840 16.096 2.994 1.00 0.00 H new ATOM 295 N ASP A 21 10.754 15.993 0.689 1.00 0.00 N ATOM 296 CA ASP A 21 11.604 14.864 0.330 1.00 0.00 C ATOM 297 C ASP A 21 11.211 13.615 1.112 1.00 0.00 C ATOM 298 O ASP A 21 11.424 12.492 0.656 1.00 0.00 O ATOM 299 CB ASP A 21 13.073 15.202 0.589 1.00 0.00 C ATOM 300 CG ASP A 21 13.680 16.040 -0.518 1.00 0.00 C ATOM 301 OD1 ASP A 21 13.394 17.255 -0.568 1.00 0.00 O ATOM 302 OD2 ASP A 21 14.442 15.483 -1.335 1.00 0.00 O ATOM 0 H ASP A 21 11.241 16.888 0.742 1.00 0.00 H new ATOM 0 HA ASP A 21 11.467 14.662 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.158 15.738 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.642 14.278 0.694 1.00 0.00 H new ATOM 307 N ASP A 22 10.635 13.819 2.292 1.00 0.00 N ATOM 308 CA ASP A 22 10.211 12.710 3.139 1.00 0.00 C ATOM 309 C ASP A 22 8.945 12.062 2.590 1.00 0.00 C ATOM 310 O ASP A 22 8.849 10.838 2.507 1.00 0.00 O ATOM 311 CB ASP A 22 9.974 13.195 4.570 1.00 0.00 C ATOM 312 CG ASP A 22 11.254 13.636 5.252 1.00 0.00 C ATOM 313 OD1 ASP A 22 12.104 12.768 5.536 1.00 0.00 O ATOM 314 OD2 ASP A 22 11.405 14.850 5.502 1.00 0.00 O ATOM 0 H ASP A 22 10.451 14.743 2.684 1.00 0.00 H new ATOM 0 HA ASP A 22 11.006 11.964 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.268 14.026 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.514 12.395 5.150 1.00 0.00 H new ATOM 319 N GLU A 23 7.974 12.892 2.219 1.00 0.00 N ATOM 320 CA GLU A 23 6.712 12.398 1.681 1.00 0.00 C ATOM 321 C GLU A 23 6.953 11.464 0.499 1.00 0.00 C ATOM 322 O GLU A 23 8.002 11.515 -0.145 1.00 0.00 O ATOM 323 CB GLU A 23 5.825 13.567 1.247 1.00 0.00 C ATOM 324 CG GLU A 23 5.110 14.247 2.401 1.00 0.00 C ATOM 325 CD GLU A 23 4.171 15.346 1.940 1.00 0.00 C ATOM 326 OE1 GLU A 23 4.627 16.249 1.210 1.00 0.00 O ATOM 327 OE2 GLU A 23 2.978 15.301 2.309 1.00 0.00 O ATOM 0 H GLU A 23 8.038 13.908 2.281 1.00 0.00 H new ATOM 0 HA GLU A 23 6.206 11.838 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.437 14.303 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.084 13.205 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.545 13.503 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.848 14.668 3.084 1.00 0.00 H new ATOM 334 N LEU A 24 5.976 10.608 0.219 1.00 0.00 N ATOM 335 CA LEU A 24 6.081 9.660 -0.883 1.00 0.00 C ATOM 336 C LEU A 24 4.974 9.892 -1.909 1.00 0.00 C ATOM 337 O LEU A 24 3.791 9.742 -1.605 1.00 0.00 O ATOM 338 CB LEU A 24 6.011 8.225 -0.359 1.00 0.00 C ATOM 339 CG LEU A 24 6.213 7.121 -1.396 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.625 7.168 -1.958 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.927 5.756 -0.785 1.00 0.00 C ATOM 0 H LEU A 24 5.102 10.552 0.741 1.00 0.00 H new ATOM 0 HA LEU A 24 7.043 9.815 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.765 8.107 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.039 8.079 0.113 1.00 0.00 H new ATOM 0 HG LEU A 24 5.512 7.286 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.750 6.374 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.796 8.134 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.343 7.029 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.076 4.982 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.603 5.583 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.897 5.724 -0.431 1.00 0.00 H new ATOM 353 N GLY A 25 5.368 10.257 -3.125 1.00 0.00 N ATOM 354 CA GLY A 25 4.397 10.501 -4.176 1.00 0.00 C ATOM 355 C GLY A 25 4.156 9.280 -5.038 1.00 0.00 C ATOM 356 O GLY A 25 4.846 8.269 -4.903 1.00 0.00 O ATOM 0 H GLY A 25 6.341 10.388 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.455 10.818 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.744 11.322 -4.803 1.00 0.00 H new ATOM 360 N PHE A 26 3.173 9.369 -5.927 1.00 0.00 N ATOM 361 CA PHE A 26 2.839 8.261 -6.814 1.00 0.00 C ATOM 362 C PHE A 26 1.841 8.698 -7.882 1.00 0.00 C ATOM 363 O PHE A 26 1.344 9.825 -7.857 1.00 0.00 O ATOM 364 CB PHE A 26 2.266 7.092 -6.011 1.00 0.00 C ATOM 365 CG PHE A 26 1.361 7.522 -4.892 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.872 7.778 -3.630 1.00 0.00 C ATOM 367 CD2 PHE A 26 -0.001 7.669 -5.103 1.00 0.00 C ATOM 368 CE1 PHE A 26 1.039 8.173 -2.598 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.837 8.065 -4.076 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.315 8.317 -2.822 1.00 0.00 C ATOM 0 H PHE A 26 2.593 10.198 -6.053 1.00 0.00 H new ATOM 0 HA PHE A 26 3.754 7.938 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.713 6.436 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.088 6.507 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.931 7.668 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.414 7.472 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.448 8.368 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.896 8.177 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.966 8.626 -2.018 1.00 0.00 H new ATOM 380 N ARG A 27 1.552 7.799 -8.818 1.00 0.00 N ATOM 381 CA ARG A 27 0.615 8.094 -9.895 1.00 0.00 C ATOM 382 C ARG A 27 -0.625 7.210 -9.792 1.00 0.00 C ATOM 383 O ARG A 27 -0.662 6.261 -9.007 1.00 0.00 O ATOM 384 CB ARG A 27 1.287 7.890 -11.254 1.00 0.00 C ATOM 385 CG ARG A 27 2.557 8.706 -11.433 1.00 0.00 C ATOM 386 CD ARG A 27 2.255 10.099 -11.962 1.00 0.00 C ATOM 387 NE ARG A 27 1.866 10.077 -13.369 1.00 0.00 N ATOM 388 CZ ARG A 27 1.593 11.169 -14.075 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.667 12.365 -13.506 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.246 11.067 -15.352 1.00 0.00 N ATOM 0 H ARG A 27 1.953 6.862 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 27 0.308 9.136 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.523 6.833 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.582 8.153 -12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.078 8.783 -10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.227 8.192 -12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.455 10.545 -11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.134 10.732 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 27 1.800 9.173 -13.836 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.934 12.447 -12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.457 13.202 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.188 10.149 -15.793 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.037 11.906 -15.892 1.00 0.00 H new ATOM 404 N LYS A 28 -1.639 7.527 -10.590 1.00 0.00 N ATOM 405 CA LYS A 28 -2.881 6.762 -10.591 1.00 0.00 C ATOM 406 C LYS A 28 -2.619 5.302 -10.942 1.00 0.00 C ATOM 407 O LYS A 28 -1.784 4.997 -11.792 1.00 0.00 O ATOM 408 CB LYS A 28 -3.875 7.368 -11.583 1.00 0.00 C ATOM 409 CG LYS A 28 -5.207 6.641 -11.629 1.00 0.00 C ATOM 410 CD LYS A 28 -5.986 6.981 -12.889 1.00 0.00 C ATOM 411 CE LYS A 28 -7.453 6.597 -12.759 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.132 6.548 -14.084 1.00 0.00 N ATOM 0 H LYS A 28 -1.625 8.309 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.307 6.804 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.049 8.411 -11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.432 7.361 -12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.037 5.565 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.798 6.907 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.905 8.049 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.547 6.461 -13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.532 5.624 -12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.961 7.316 -12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.129 6.283 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.079 7.483 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.663 5.844 -14.689 1.00 0.00 H new ATOM 426 N ASN A 29 -3.343 4.401 -10.282 1.00 0.00 N ATOM 427 CA ASN A 29 -3.190 2.972 -10.526 1.00 0.00 C ATOM 428 C ASN A 29 -1.762 2.520 -10.235 1.00 0.00 C ATOM 429 O ASN A 29 -1.152 1.806 -11.031 1.00 0.00 O ATOM 430 CB ASN A 29 -3.557 2.637 -11.973 1.00 0.00 C ATOM 431 CG ASN A 29 -5.041 2.375 -12.148 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.750 2.091 -11.182 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.517 2.467 -13.383 1.00 0.00 N ATOM 0 H ASN A 29 -4.040 4.636 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.865 2.441 -9.855 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.258 3.461 -12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.996 1.759 -12.293 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.507 2.300 -13.562 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.893 2.705 -14.154 1.00 0.00 H new ATOM 440 N ASP A 30 -1.235 2.942 -9.091 1.00 0.00 N ATOM 441 CA ASP A 30 0.120 2.579 -8.694 1.00 0.00 C ATOM 442 C ASP A 30 0.110 1.779 -7.394 1.00 0.00 C ATOM 443 O ASP A 30 -0.452 2.216 -6.391 1.00 0.00 O ATOM 444 CB ASP A 30 0.978 3.834 -8.527 1.00 0.00 C ATOM 445 CG ASP A 30 1.437 4.401 -9.856 1.00 0.00 C ATOM 446 OD1 ASP A 30 1.027 3.861 -10.906 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.204 5.385 -9.848 1.00 0.00 O ATOM 0 H ASP A 30 -1.726 3.536 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 30 0.548 1.956 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.408 4.592 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.849 3.597 -7.916 1.00 0.00 H new ATOM 452 N ILE A 31 0.733 0.607 -7.422 1.00 0.00 N ATOM 453 CA ILE A 31 0.796 -0.255 -6.248 1.00 0.00 C ATOM 454 C ILE A 31 1.990 0.102 -5.369 1.00 0.00 C ATOM 455 O ILE A 31 3.140 -0.007 -5.794 1.00 0.00 O ATOM 456 CB ILE A 31 0.887 -1.739 -6.642 1.00 0.00 C ATOM 457 CG1 ILE A 31 -0.220 -2.096 -7.637 1.00 0.00 C ATOM 458 CG2 ILE A 31 0.800 -2.622 -5.405 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.595 -1.651 -7.192 1.00 0.00 C ATOM 0 H ILE A 31 1.202 0.231 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.125 -0.094 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 31 1.850 -1.913 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.007 -1.640 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.227 -3.175 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.866 -3.669 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.621 -2.383 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.149 -2.447 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.331 -1.936 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.842 -2.127 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.604 -0.568 -7.068 1.00 0.00 H new ATOM 471 N ILE A 32 1.709 0.526 -4.142 1.00 0.00 N ATOM 472 CA ILE A 32 2.761 0.894 -3.201 1.00 0.00 C ATOM 473 C ILE A 32 2.766 -0.034 -1.991 1.00 0.00 C ATOM 474 O ILE A 32 1.742 -0.221 -1.333 1.00 0.00 O ATOM 475 CB ILE A 32 2.601 2.348 -2.720 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.604 3.307 -3.912 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.710 2.707 -1.742 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.793 4.562 -3.680 1.00 0.00 C ATOM 0 H ILE A 32 0.762 0.623 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 32 3.708 0.798 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 32 1.644 2.441 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.633 3.586 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.212 2.788 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.583 3.738 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.665 2.041 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.677 2.600 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.840 5.195 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.756 4.293 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.198 5.104 -2.825 1.00 0.00 H new ATOM 490 N THR A 33 3.928 -0.610 -1.698 1.00 0.00 N ATOM 491 CA THR A 33 4.067 -1.517 -0.567 1.00 0.00 C ATOM 492 C THR A 33 4.018 -0.759 0.755 1.00 0.00 C ATOM 493 O THR A 33 4.809 0.155 0.986 1.00 0.00 O ATOM 494 CB THR A 33 5.385 -2.310 -0.641 1.00 0.00 C ATOM 495 OG1 THR A 33 5.352 -3.214 -1.752 1.00 0.00 O ATOM 496 CG2 THR A 33 5.623 -3.088 0.645 1.00 0.00 C ATOM 0 H THR A 33 4.786 -0.464 -2.229 1.00 0.00 H new ATOM 0 HA THR A 33 3.229 -2.213 -0.616 1.00 0.00 H new ATOM 0 HB THR A 33 6.202 -1.601 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.194 -3.713 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.560 -3.640 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.678 -2.395 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.802 -3.787 0.805 1.00 0.00 H new ATOM 504 N ILE A 34 3.083 -1.145 1.618 1.00 0.00 N ATOM 505 CA ILE A 34 2.933 -0.501 2.917 1.00 0.00 C ATOM 506 C ILE A 34 3.918 -1.073 3.931 1.00 0.00 C ATOM 507 O ILE A 34 3.915 -2.273 4.206 1.00 0.00 O ATOM 508 CB ILE A 34 1.502 -0.663 3.463 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.480 -0.201 2.420 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.337 0.121 4.756 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.949 -0.246 2.914 1.00 0.00 C ATOM 0 H ILE A 34 2.419 -1.899 1.441 1.00 0.00 H new ATOM 0 HA ILE A 34 3.140 0.559 2.770 1.00 0.00 H new ATOM 0 HB ILE A 34 1.327 -1.718 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.719 0.818 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.569 -0.828 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.321 -0.003 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.044 -0.249 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.528 1.178 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.618 0.095 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.206 -1.268 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.054 0.403 3.783 1.00 0.00 H new ATOM 523 N ILE A 35 4.760 -0.205 4.483 1.00 0.00 N ATOM 524 CA ILE A 35 5.749 -0.623 5.469 1.00 0.00 C ATOM 525 C ILE A 35 5.230 -0.420 6.889 1.00 0.00 C ATOM 526 O ILE A 35 5.179 -1.360 7.682 1.00 0.00 O ATOM 527 CB ILE A 35 7.071 0.150 5.303 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.498 0.160 3.834 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.157 -0.466 6.172 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.231 -1.093 3.408 1.00 0.00 C ATOM 0 H ILE A 35 4.777 0.791 4.264 1.00 0.00 H new ATOM 0 HA ILE A 35 5.934 -1.684 5.300 1.00 0.00 H new ATOM 0 HB ILE A 35 6.917 1.180 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.614 0.284 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.139 1.024 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.085 0.091 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.852 -0.427 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.313 -1.504 5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.503 -1.015 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.133 -1.208 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.586 -1.959 3.553 1.00 0.00 H new ATOM 542 N SER A 36 4.845 0.814 7.202 1.00 0.00 N ATOM 543 CA SER A 36 4.331 1.141 8.527 1.00 0.00 C ATOM 544 C SER A 36 3.217 2.178 8.436 1.00 0.00 C ATOM 545 O SER A 36 2.936 2.710 7.363 1.00 0.00 O ATOM 546 CB SER A 36 5.458 1.663 9.420 1.00 0.00 C ATOM 547 OG SER A 36 5.213 1.359 10.781 1.00 0.00 O ATOM 0 H SER A 36 4.879 1.603 6.556 1.00 0.00 H new ATOM 0 HA SER A 36 3.922 0.231 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.405 1.222 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.554 2.742 9.297 1.00 0.00 H new ATOM 0 HG SER A 36 5.949 1.702 11.330 1.00 0.00 H new ATOM 553 N GLN A 37 2.585 2.461 9.571 1.00 0.00 N ATOM 554 CA GLN A 37 1.500 3.434 9.620 1.00 0.00 C ATOM 555 C GLN A 37 1.679 4.389 10.796 1.00 0.00 C ATOM 556 O GLN A 37 1.227 4.113 11.907 1.00 0.00 O ATOM 557 CB GLN A 37 0.152 2.721 9.727 1.00 0.00 C ATOM 558 CG GLN A 37 -0.134 1.781 8.567 1.00 0.00 C ATOM 559 CD GLN A 37 -1.280 0.831 8.854 1.00 0.00 C ATOM 560 OE1 GLN A 37 -1.458 0.380 9.986 1.00 0.00 O ATOM 561 NE2 GLN A 37 -2.063 0.521 7.827 1.00 0.00 N ATOM 0 H GLN A 37 2.806 2.030 10.469 1.00 0.00 H new ATOM 0 HA GLN A 37 1.523 4.014 8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.123 2.155 10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.641 3.467 9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.367 2.367 7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.763 1.204 8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.878 0.919 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.850 -0.115 7.959 1.00 0.00 H new ATOM 570 N LYS A 38 2.342 5.512 10.543 1.00 0.00 N ATOM 571 CA LYS A 38 2.581 6.510 11.580 1.00 0.00 C ATOM 572 C LYS A 38 1.265 7.020 12.157 1.00 0.00 C ATOM 573 O LYS A 38 1.134 7.196 13.369 1.00 0.00 O ATOM 574 CB LYS A 38 3.389 7.680 11.014 1.00 0.00 C ATOM 575 CG LYS A 38 4.891 7.459 11.057 1.00 0.00 C ATOM 576 CD LYS A 38 5.647 8.776 11.096 1.00 0.00 C ATOM 577 CE LYS A 38 7.054 8.626 10.540 1.00 0.00 C ATOM 578 NZ LYS A 38 7.789 9.923 10.532 1.00 0.00 N ATOM 0 H LYS A 38 2.724 5.754 9.629 1.00 0.00 H new ATOM 0 HA LYS A 38 3.150 6.037 12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.085 7.855 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.147 8.583 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.147 6.865 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.201 6.886 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.105 9.526 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.697 9.138 12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.605 7.900 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.003 8.231 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.744 9.779 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.277 10.609 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.860 10.288 11.503 1.00 0.00 H new ATOM 592 N ASP A 39 0.292 7.254 11.283 1.00 0.00 N ATOM 593 CA ASP A 39 -1.016 7.742 11.707 1.00 0.00 C ATOM 594 C ASP A 39 -2.130 7.091 10.891 1.00 0.00 C ATOM 595 O ASP A 39 -1.947 6.780 9.715 1.00 0.00 O ATOM 596 CB ASP A 39 -1.086 9.262 11.566 1.00 0.00 C ATOM 597 CG ASP A 39 0.178 9.949 12.043 1.00 0.00 C ATOM 598 OD1 ASP A 39 0.411 9.977 13.271 1.00 0.00 O ATOM 599 OD2 ASP A 39 0.937 10.453 11.190 1.00 0.00 O ATOM 0 H ASP A 39 0.384 7.114 10.277 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.154 7.475 12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.263 9.519 10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.936 9.637 12.135 1.00 0.00 H new ATOM 604 N GLU A 40 -3.280 6.887 11.525 1.00 0.00 N ATOM 605 CA GLU A 40 -4.420 6.271 10.860 1.00 0.00 C ATOM 606 C GLU A 40 -4.676 6.924 9.505 1.00 0.00 C ATOM 607 O GLU A 40 -5.048 6.255 8.539 1.00 0.00 O ATOM 608 CB GLU A 40 -5.670 6.381 11.735 1.00 0.00 C ATOM 609 CG GLU A 40 -6.860 5.601 11.198 1.00 0.00 C ATOM 610 CD GLU A 40 -6.543 4.135 10.970 1.00 0.00 C ATOM 611 OE1 GLU A 40 -5.841 3.544 11.816 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.998 3.582 9.948 1.00 0.00 O ATOM 0 H GLU A 40 -3.446 7.140 12.499 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.189 5.218 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.434 6.023 12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.947 7.431 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.690 5.684 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.189 6.048 10.260 1.00 0.00 H new ATOM 619 N HIS A 41 -4.474 8.237 9.439 1.00 0.00 N ATOM 620 CA HIS A 41 -4.683 8.982 8.203 1.00 0.00 C ATOM 621 C HIS A 41 -3.409 9.012 7.364 1.00 0.00 C ATOM 622 O HIS A 41 -3.464 9.024 6.135 1.00 0.00 O ATOM 623 CB HIS A 41 -5.138 10.409 8.513 1.00 0.00 C ATOM 624 CG HIS A 41 -6.588 10.510 8.875 1.00 0.00 C ATOM 625 ND1 HIS A 41 -7.542 11.024 8.023 1.00 0.00 N ATOM 626 CD2 HIS A 41 -7.245 10.158 10.005 1.00 0.00 C ATOM 627 CE1 HIS A 41 -8.724 10.986 8.614 1.00 0.00 C ATOM 628 NE2 HIS A 41 -8.571 10.463 9.818 1.00 0.00 N ATOM 0 H HIS A 41 -4.166 8.806 10.227 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.461 8.477 7.631 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.539 10.802 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -4.944 11.040 7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.808 9.719 10.889 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.656 11.325 8.186 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.316 10.311 10.498 1.00 0.00 H new ATOM 637 N CYS A 42 -2.265 9.026 8.038 1.00 0.00 N ATOM 638 CA CYS A 42 -0.975 9.056 7.357 1.00 0.00 C ATOM 639 C CYS A 42 -0.277 7.704 7.452 1.00 0.00 C ATOM 640 O CYS A 42 0.103 7.267 8.538 1.00 0.00 O ATOM 641 CB CYS A 42 -0.085 10.148 7.952 1.00 0.00 C ATOM 642 SG CYS A 42 -0.687 11.829 7.667 1.00 0.00 S ATOM 0 H CYS A 42 -2.204 9.017 9.056 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.153 9.278 6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.005 9.983 9.026 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.916 10.056 7.530 1.00 0.00 H new ATOM 0 HG CYS A 42 0.110 12.441 6.842 1.00 0.00 H new ATOM 648 N TRP A 43 -0.113 7.046 6.310 1.00 0.00 N ATOM 649 CA TRP A 43 0.539 5.742 6.266 1.00 0.00 C ATOM 650 C TRP A 43 1.924 5.846 5.637 1.00 0.00 C ATOM 651 O TRP A 43 2.288 6.884 5.085 1.00 0.00 O ATOM 652 CB TRP A 43 -0.318 4.747 5.481 1.00 0.00 C ATOM 653 CG TRP A 43 -1.581 4.360 6.191 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.917 4.652 7.481 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.671 3.608 5.650 1.00 0.00 C ATOM 656 NE1 TRP A 43 -3.153 4.126 7.775 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.637 3.482 6.667 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.928 3.029 4.403 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.835 2.801 6.475 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.119 2.353 4.215 1.00 0.00 C ATOM 661 CH2 TRP A 43 -5.061 2.245 5.245 1.00 0.00 C ATOM 0 H TRP A 43 -0.422 7.394 5.402 1.00 0.00 H new ATOM 0 HA TRP A 43 0.652 5.385 7.290 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.572 5.181 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.269 3.850 5.284 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.303 5.213 8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.632 4.203 8.672 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.209 3.109 3.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.562 2.714 7.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.326 1.900 3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.984 1.713 5.066 1.00 0.00 H new ATOM 672 N VAL A 44 2.691 4.765 5.726 1.00 0.00 N ATOM 673 CA VAL A 44 4.037 4.736 5.165 1.00 0.00 C ATOM 674 C VAL A 44 4.224 3.528 4.251 1.00 0.00 C ATOM 675 O VAL A 44 4.042 2.386 4.669 1.00 0.00 O ATOM 676 CB VAL A 44 5.107 4.696 6.272 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.503 4.737 5.669 1.00 0.00 C ATOM 678 CG2 VAL A 44 4.905 5.849 7.246 1.00 0.00 C ATOM 0 H VAL A 44 2.404 3.898 6.181 1.00 0.00 H new ATOM 0 HA VAL A 44 4.158 5.651 4.586 1.00 0.00 H new ATOM 0 HB VAL A 44 5.003 3.760 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.245 4.708 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.641 3.877 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.624 5.655 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.669 5.807 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.983 6.795 6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.918 5.771 7.703 1.00 0.00 H new ATOM 688 N GLY A 45 4.590 3.793 3.001 1.00 0.00 N ATOM 689 CA GLY A 45 4.798 2.718 2.047 1.00 0.00 C ATOM 690 C GLY A 45 6.162 2.782 1.388 1.00 0.00 C ATOM 691 O GLY A 45 7.079 3.418 1.907 1.00 0.00 O ATOM 0 H GLY A 45 4.746 4.731 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.688 1.760 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.025 2.763 1.280 1.00 0.00 H new ATOM 695 N GLU A 46 6.296 2.121 0.243 1.00 0.00 N ATOM 696 CA GLU A 46 7.560 2.104 -0.485 1.00 0.00 C ATOM 697 C GLU A 46 7.319 2.063 -1.992 1.00 0.00 C ATOM 698 O GLU A 46 6.642 1.168 -2.500 1.00 0.00 O ATOM 699 CB GLU A 46 8.402 0.900 -0.059 1.00 0.00 C ATOM 700 CG GLU A 46 9.900 1.135 -0.172 1.00 0.00 C ATOM 701 CD GLU A 46 10.707 0.177 0.684 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.630 0.286 1.926 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.414 -0.678 0.112 1.00 0.00 O ATOM 0 H GLU A 46 5.546 1.591 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 46 8.101 3.020 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.159 0.644 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.130 0.041 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.203 1.029 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.127 2.159 0.123 1.00 0.00 H new ATOM 710 N LEU A 47 7.878 3.037 -2.700 1.00 0.00 N ATOM 711 CA LEU A 47 7.723 3.114 -4.148 1.00 0.00 C ATOM 712 C LEU A 47 8.891 3.865 -4.781 1.00 0.00 C ATOM 713 O LEU A 47 9.408 4.824 -4.210 1.00 0.00 O ATOM 714 CB LEU A 47 6.406 3.804 -4.506 1.00 0.00 C ATOM 715 CG LEU A 47 5.935 3.643 -5.952 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.089 2.387 -6.099 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.153 4.870 -6.398 1.00 0.00 C ATOM 0 H LEU A 47 8.442 3.784 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 47 7.711 2.097 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.627 3.421 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.507 4.868 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 47 6.812 3.544 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.762 2.288 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.681 1.515 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.217 2.457 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.826 4.738 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.283 5.000 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.790 5.752 -6.330 1.00 0.00 H new ATOM 729 N ASN A 48 9.302 3.422 -5.965 1.00 0.00 N ATOM 730 CA ASN A 48 10.408 4.053 -6.676 1.00 0.00 C ATOM 731 C ASN A 48 11.677 4.039 -5.830 1.00 0.00 C ATOM 732 O ASN A 48 12.529 4.917 -5.954 1.00 0.00 O ATOM 733 CB ASN A 48 10.046 5.492 -7.049 1.00 0.00 C ATOM 734 CG ASN A 48 9.114 5.562 -8.244 1.00 0.00 C ATOM 735 OD1 ASN A 48 9.546 5.441 -9.389 1.00 0.00 O ATOM 736 ND2 ASN A 48 7.828 5.761 -7.979 1.00 0.00 N ATOM 0 H ASN A 48 8.886 2.628 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 48 10.594 3.484 -7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.575 5.978 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.957 6.048 -7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.153 5.819 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.515 5.856 -7.013 1.00 0.00 H new ATOM 743 N GLY A 49 11.796 3.034 -4.966 1.00 0.00 N ATOM 744 CA GLY A 49 12.965 2.924 -4.112 1.00 0.00 C ATOM 745 C GLY A 49 12.972 3.959 -3.005 1.00 0.00 C ATOM 746 O GLY A 49 14.022 4.260 -2.435 1.00 0.00 O ATOM 0 H GLY A 49 11.104 2.295 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.998 1.927 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.865 3.037 -4.717 1.00 0.00 H new ATOM 750 N LEU A 50 11.802 4.506 -2.701 1.00 0.00 N ATOM 751 CA LEU A 50 11.677 5.515 -1.655 1.00 0.00 C ATOM 752 C LEU A 50 10.707 5.058 -0.569 1.00 0.00 C ATOM 753 O LEU A 50 9.775 4.300 -0.835 1.00 0.00 O ATOM 754 CB LEU A 50 11.203 6.841 -2.251 1.00 0.00 C ATOM 755 CG LEU A 50 11.933 7.308 -3.511 1.00 0.00 C ATOM 756 CD1 LEU A 50 11.243 8.526 -4.108 1.00 0.00 C ATOM 757 CD2 LEU A 50 13.390 7.618 -3.200 1.00 0.00 C ATOM 0 H LEU A 50 10.925 4.268 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 50 12.659 5.657 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.141 6.754 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.302 7.615 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 50 11.902 6.502 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.777 8.844 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.216 8.271 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.242 9.337 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.894 7.949 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.442 8.406 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.880 6.721 -2.820 1.00 0.00 H new ATOM 769 N ARG A 51 10.934 5.525 0.655 1.00 0.00 N ATOM 770 CA ARG A 51 10.080 5.165 1.780 1.00 0.00 C ATOM 771 C ARG A 51 9.698 6.400 2.590 1.00 0.00 C ATOM 772 O ARG A 51 10.544 7.019 3.233 1.00 0.00 O ATOM 773 CB ARG A 51 10.788 4.150 2.680 1.00 0.00 C ATOM 774 CG ARG A 51 9.836 3.231 3.428 1.00 0.00 C ATOM 775 CD ARG A 51 10.472 2.683 4.696 1.00 0.00 C ATOM 776 NE ARG A 51 10.461 3.661 5.781 1.00 0.00 N ATOM 777 CZ ARG A 51 11.247 3.582 6.849 1.00 0.00 C ATOM 778 NH1 ARG A 51 12.099 2.575 6.976 1.00 0.00 N ATOM 779 NH2 ARG A 51 11.177 4.511 7.795 1.00 0.00 N ATOM 0 H ARG A 51 11.702 6.153 0.892 1.00 0.00 H new ATOM 0 HA ARG A 51 9.169 4.716 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.461 3.545 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.405 4.685 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.927 3.776 3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.542 2.405 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.938 1.786 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.499 2.385 4.487 1.00 0.00 H new ATOM 0 HE ARG A 51 9.815 4.447 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.153 1.858 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.701 2.517 7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.520 5.285 7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.781 4.450 8.615 1.00 0.00 H new ATOM 793 N GLY A 52 8.416 6.753 2.551 1.00 0.00 N ATOM 794 CA GLY A 52 7.944 7.913 3.284 1.00 0.00 C ATOM 795 C GLY A 52 6.492 7.787 3.698 1.00 0.00 C ATOM 796 O GLY A 52 5.902 6.712 3.593 1.00 0.00 O ATOM 0 H GLY A 52 7.697 6.256 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.561 8.053 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.067 8.803 2.667 1.00 0.00 H new ATOM 800 N TRP A 53 5.915 8.885 4.170 1.00 0.00 N ATOM 801 CA TRP A 53 4.522 8.892 4.603 1.00 0.00 C ATOM 802 C TRP A 53 3.611 9.415 3.498 1.00 0.00 C ATOM 803 O TRP A 53 4.077 10.012 2.527 1.00 0.00 O ATOM 804 CB TRP A 53 4.361 9.746 5.861 1.00 0.00 C ATOM 805 CG TRP A 53 4.330 11.219 5.579 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.405 12.053 5.460 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.166 12.029 5.384 1.00 0.00 C ATOM 808 NE1 TRP A 53 4.977 13.334 5.201 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.609 13.345 5.149 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.793 11.771 5.381 1.00 0.00 C ATOM 811 CZ2 TRP A 53 2.728 14.396 4.916 1.00 0.00 C ATOM 812 CZ3 TRP A 53 0.919 12.815 5.150 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.388 14.115 4.921 1.00 0.00 C ATOM 0 H TRP A 53 6.390 9.783 4.263 1.00 0.00 H new ATOM 0 HA TRP A 53 4.234 7.866 4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.440 9.461 6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.182 9.531 6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.438 11.751 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.581 14.145 5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.421 10.772 5.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.088 15.398 4.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.144 12.626 5.146 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.679 14.911 4.745 1.00 0.00 H new ATOM 824 N PHE A 54 2.311 9.188 3.652 1.00 0.00 N ATOM 825 CA PHE A 54 1.335 9.636 2.666 1.00 0.00 C ATOM 826 C PHE A 54 -0.088 9.367 3.147 1.00 0.00 C ATOM 827 O PHE A 54 -0.343 8.449 3.926 1.00 0.00 O ATOM 828 CB PHE A 54 1.573 8.937 1.325 1.00 0.00 C ATOM 829 CG PHE A 54 1.338 7.455 1.374 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.056 6.947 1.522 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.397 6.568 1.270 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.162 5.584 1.566 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.184 5.203 1.314 1.00 0.00 C ATOM 834 CZ PHE A 54 0.902 4.711 1.464 1.00 0.00 C ATOM 0 H PHE A 54 1.909 8.696 4.450 1.00 0.00 H new ATOM 0 HA PHE A 54 1.458 10.711 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.917 9.377 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.597 9.124 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.781 7.625 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.401 6.948 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.165 5.201 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.018 4.522 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.733 3.645 1.501 1.00 0.00 H new ATOM 844 N PRO A 55 -1.038 10.187 2.675 1.00 0.00 N ATOM 845 CA PRO A 55 -2.451 10.058 3.042 1.00 0.00 C ATOM 846 C PRO A 55 -3.093 8.811 2.446 1.00 0.00 C ATOM 847 O PRO A 55 -3.166 8.661 1.226 1.00 0.00 O ATOM 848 CB PRO A 55 -3.087 11.321 2.454 1.00 0.00 C ATOM 849 CG PRO A 55 -2.193 11.707 1.327 1.00 0.00 C ATOM 850 CD PRO A 55 -0.805 11.305 1.743 1.00 0.00 C ATOM 0 HA PRO A 55 -2.585 9.959 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.102 11.128 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.151 12.115 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.486 11.203 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.248 12.779 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.203 10.997 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.276 12.127 2.226 1.00 0.00 H new ATOM 858 N ALA A 56 -3.558 7.918 3.313 1.00 0.00 N ATOM 859 CA ALA A 56 -4.197 6.684 2.871 1.00 0.00 C ATOM 860 C ALA A 56 -5.422 6.978 2.010 1.00 0.00 C ATOM 861 O ALA A 56 -5.767 6.201 1.121 1.00 0.00 O ATOM 862 CB ALA A 56 -4.585 5.832 4.070 1.00 0.00 C ATOM 0 H ALA A 56 -3.504 8.026 4.326 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.481 6.131 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.061 4.914 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.692 5.584 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.280 6.386 4.701 1.00 0.00 H new ATOM 868 N LYS A 57 -6.073 8.103 2.282 1.00 0.00 N ATOM 869 CA LYS A 57 -7.260 8.501 1.533 1.00 0.00 C ATOM 870 C LYS A 57 -6.959 8.576 0.039 1.00 0.00 C ATOM 871 O LYS A 57 -7.847 8.393 -0.793 1.00 0.00 O ATOM 872 CB LYS A 57 -7.772 9.853 2.030 1.00 0.00 C ATOM 873 CG LYS A 57 -7.101 11.041 1.361 1.00 0.00 C ATOM 874 CD LYS A 57 -7.815 11.432 0.077 1.00 0.00 C ATOM 875 CE LYS A 57 -8.960 12.398 0.347 1.00 0.00 C ATOM 876 NZ LYS A 57 -10.000 12.335 -0.718 1.00 0.00 N ATOM 0 H LYS A 57 -5.799 8.756 3.016 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.031 7.747 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.847 9.910 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.616 9.917 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.092 11.889 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.062 10.797 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.104 11.891 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.200 10.538 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.412 12.165 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.570 13.414 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.763 13.007 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.574 12.582 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.390 11.372 -0.766 1.00 0.00 H new ATOM 890 N PHE A 58 -5.702 8.846 -0.295 1.00 0.00 N ATOM 891 CA PHE A 58 -5.283 8.945 -1.688 1.00 0.00 C ATOM 892 C PHE A 58 -5.100 7.560 -2.301 1.00 0.00 C ATOM 893 O PHE A 58 -5.088 7.406 -3.522 1.00 0.00 O ATOM 894 CB PHE A 58 -3.981 9.739 -1.797 1.00 0.00 C ATOM 895 CG PHE A 58 -4.191 11.220 -1.942 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.426 12.011 -0.828 1.00 0.00 C ATOM 897 CD2 PHE A 58 -4.153 11.820 -3.190 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.622 13.373 -0.959 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.347 13.182 -3.325 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.581 13.960 -2.208 1.00 0.00 C ATOM 0 H PHE A 58 -4.954 9.000 0.381 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.065 9.467 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.375 9.551 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.414 9.375 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.456 11.558 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.970 11.217 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.807 13.978 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.316 13.638 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.731 15.024 -2.311 1.00 0.00 H new ATOM 910 N VAL A 59 -4.959 6.554 -1.444 1.00 0.00 N ATOM 911 CA VAL A 59 -4.777 5.181 -1.900 1.00 0.00 C ATOM 912 C VAL A 59 -5.869 4.272 -1.351 1.00 0.00 C ATOM 913 O VAL A 59 -6.700 4.696 -0.550 1.00 0.00 O ATOM 914 CB VAL A 59 -3.402 4.627 -1.477 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.282 5.488 -2.042 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.305 4.541 0.039 1.00 0.00 C ATOM 0 H VAL A 59 -4.967 6.664 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.835 5.198 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.295 3.621 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.319 5.081 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.341 5.493 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.382 6.507 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.328 4.148 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.433 5.534 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.084 3.879 0.416 1.00 0.00 H new ATOM 926 N GLU A 60 -5.860 3.016 -1.788 1.00 0.00 N ATOM 927 CA GLU A 60 -6.852 2.044 -1.340 1.00 0.00 C ATOM 928 C GLU A 60 -6.179 0.775 -0.828 1.00 0.00 C ATOM 929 O GLU A 60 -5.248 0.259 -1.448 1.00 0.00 O ATOM 930 CB GLU A 60 -7.813 1.702 -2.481 1.00 0.00 C ATOM 931 CG GLU A 60 -9.139 1.127 -2.007 1.00 0.00 C ATOM 932 CD GLU A 60 -9.983 2.146 -1.268 1.00 0.00 C ATOM 933 OE1 GLU A 60 -9.902 3.344 -1.607 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.727 1.744 -0.348 1.00 0.00 O ATOM 0 H GLU A 60 -5.178 2.648 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.416 2.489 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.005 2.602 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.333 0.985 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.696 0.752 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.949 0.275 -1.354 1.00 0.00 H new ATOM 941 N VAL A 61 -6.656 0.275 0.307 1.00 0.00 N ATOM 942 CA VAL A 61 -6.101 -0.934 0.903 1.00 0.00 C ATOM 943 C VAL A 61 -6.491 -2.170 0.101 1.00 0.00 C ATOM 944 O VAL A 61 -7.586 -2.240 -0.460 1.00 0.00 O ATOM 945 CB VAL A 61 -6.570 -1.109 2.360 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.787 -2.218 3.044 1.00 0.00 C ATOM 947 CG2 VAL A 61 -6.436 0.199 3.122 1.00 0.00 C ATOM 0 H VAL A 61 -7.426 0.689 0.833 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.017 -0.824 0.891 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.622 -1.393 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.132 -2.327 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.940 -3.155 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.726 -1.969 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.772 0.058 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.393 0.515 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.047 0.964 2.643 1.00 0.00 H new ATOM 957 N LEU A 62 -5.591 -3.146 0.053 1.00 0.00 N ATOM 958 CA LEU A 62 -5.843 -4.383 -0.680 1.00 0.00 C ATOM 959 C LEU A 62 -5.534 -5.600 0.187 1.00 0.00 C ATOM 960 O LEU A 62 -4.432 -5.732 0.720 1.00 0.00 O ATOM 961 CB LEU A 62 -5.000 -4.423 -1.955 1.00 0.00 C ATOM 962 CG LEU A 62 -4.668 -3.069 -2.583 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.356 -3.142 -3.349 1.00 0.00 C ATOM 964 CD2 LEU A 62 -5.796 -2.615 -3.499 1.00 0.00 C ATOM 0 H LEU A 62 -4.681 -3.105 0.512 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.899 -4.410 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.065 -4.937 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.526 -5.025 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.558 -2.337 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.137 -2.169 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.552 -3.422 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.437 -3.888 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.543 -1.650 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.937 -3.348 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.717 -2.522 -2.923 1.00 0.00 H new ATOM 976 N ASP A 63 -6.513 -6.489 0.318 1.00 0.00 N ATOM 977 CA ASP A 63 -6.344 -7.698 1.116 1.00 0.00 C ATOM 978 C ASP A 63 -5.835 -8.849 0.256 1.00 0.00 C ATOM 979 O ASP A 63 -6.256 -9.015 -0.889 1.00 0.00 O ATOM 980 CB ASP A 63 -7.668 -8.086 1.778 1.00 0.00 C ATOM 981 CG ASP A 63 -8.856 -7.887 0.859 1.00 0.00 C ATOM 982 OD1 ASP A 63 -8.680 -8.007 -0.372 1.00 0.00 O ATOM 983 OD2 ASP A 63 -9.962 -7.607 1.368 1.00 0.00 O ATOM 0 H ASP A 63 -7.431 -6.395 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.605 -7.493 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.623 -9.130 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.807 -7.491 2.681 1.00 0.00 H new ATOM 988 N GLU A 64 -4.927 -9.642 0.816 1.00 0.00 N ATOM 989 CA GLU A 64 -4.358 -10.778 0.098 1.00 0.00 C ATOM 990 C GLU A 64 -4.654 -12.086 0.827 1.00 0.00 C ATOM 991 O GLU A 64 -3.845 -12.561 1.622 1.00 0.00 O ATOM 992 CB GLU A 64 -2.847 -10.603 -0.064 1.00 0.00 C ATOM 993 CG GLU A 64 -2.464 -9.545 -1.087 1.00 0.00 C ATOM 994 CD GLU A 64 -2.385 -10.098 -2.497 1.00 0.00 C ATOM 995 OE1 GLU A 64 -3.442 -10.203 -3.154 1.00 0.00 O ATOM 996 OE2 GLU A 64 -1.265 -10.424 -2.944 1.00 0.00 O ATOM 0 H GLU A 64 -4.570 -9.519 1.763 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.819 -10.819 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.415 -10.337 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.408 -11.557 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.194 -8.736 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.500 -9.114 -0.815 1.00 0.00 H new ATOM 1003 N ARG A 65 -5.820 -12.661 0.549 1.00 0.00 N ATOM 1004 CA ARG A 65 -6.223 -13.912 1.179 1.00 0.00 C ATOM 1005 C ARG A 65 -5.662 -15.110 0.419 1.00 0.00 C ATOM 1006 O ARG A 65 -5.601 -15.103 -0.811 1.00 0.00 O ATOM 1007 CB ARG A 65 -7.750 -14.005 1.244 1.00 0.00 C ATOM 1008 CG ARG A 65 -8.341 -13.420 2.516 1.00 0.00 C ATOM 1009 CD ARG A 65 -8.319 -14.426 3.655 1.00 0.00 C ATOM 1010 NE ARG A 65 -8.875 -13.873 4.887 1.00 0.00 N ATOM 1011 CZ ARG A 65 -8.272 -12.933 5.607 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -7.101 -12.446 5.222 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -8.842 -12.478 6.716 1.00 0.00 N ATOM 0 H ARG A 65 -6.501 -12.280 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.820 -13.926 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.174 -13.487 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.046 -15.051 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.780 -12.531 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.367 -13.103 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.886 -15.311 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.293 -14.749 3.833 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.774 -14.227 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.660 -12.793 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.641 -11.724 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.743 -12.850 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.379 -11.756 7.268 1.00 0.00 H new ATOM 1027 N SER A 66 -5.252 -16.136 1.159 1.00 0.00 N ATOM 1028 CA SER A 66 -4.692 -17.338 0.555 1.00 0.00 C ATOM 1029 C SER A 66 -4.441 -18.410 1.610 1.00 0.00 C ATOM 1030 O SER A 66 -3.625 -18.228 2.516 1.00 0.00 O ATOM 1031 CB SER A 66 -3.387 -17.008 -0.173 1.00 0.00 C ATOM 1032 OG SER A 66 -2.946 -18.107 -0.952 1.00 0.00 O ATOM 0 H SER A 66 -5.298 -16.158 2.178 1.00 0.00 H new ATOM 0 HA SER A 66 -5.414 -17.723 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.534 -16.139 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.619 -16.741 0.553 1.00 0.00 H new ATOM 0 HG SER A 66 -2.112 -17.871 -1.408 1.00 0.00 H new ATOM 1038 N LYS A 67 -5.147 -19.529 1.490 1.00 0.00 N ATOM 1039 CA LYS A 67 -5.001 -20.632 2.433 1.00 0.00 C ATOM 1040 C LYS A 67 -5.252 -21.971 1.745 1.00 0.00 C ATOM 1041 O LYS A 67 -5.902 -22.031 0.703 1.00 0.00 O ATOM 1042 CB LYS A 67 -5.970 -20.460 3.604 1.00 0.00 C ATOM 1043 CG LYS A 67 -5.471 -21.072 4.900 1.00 0.00 C ATOM 1044 CD LYS A 67 -6.413 -20.779 6.055 1.00 0.00 C ATOM 1045 CE LYS A 67 -6.144 -19.410 6.662 1.00 0.00 C ATOM 1046 NZ LYS A 67 -7.022 -19.140 7.835 1.00 0.00 N ATOM 0 H LYS A 67 -5.827 -19.696 0.748 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.979 -20.622 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.153 -19.397 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.927 -20.913 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.368 -22.150 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.480 -20.681 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.444 -20.827 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.300 -21.546 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.100 -19.348 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.301 -18.641 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.808 -18.198 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.018 -19.174 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.854 -19.859 8.567 1.00 0.00 H new ATOM 1060 N GLU A 68 -4.731 -23.040 2.337 1.00 0.00 N ATOM 1061 CA GLU A 68 -4.900 -24.378 1.781 1.00 0.00 C ATOM 1062 C GLU A 68 -6.280 -24.937 2.118 1.00 0.00 C ATOM 1063 O GLU A 68 -6.407 -26.079 2.560 1.00 0.00 O ATOM 1064 CB GLU A 68 -3.814 -25.316 2.313 1.00 0.00 C ATOM 1065 CG GLU A 68 -2.489 -25.188 1.581 1.00 0.00 C ATOM 1066 CD GLU A 68 -2.622 -25.417 0.088 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -2.782 -26.586 -0.322 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -2.566 -24.428 -0.671 1.00 0.00 O ATOM 0 H GLU A 68 -4.189 -23.007 3.200 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.810 -24.307 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.656 -25.112 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.165 -26.345 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.076 -24.195 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.780 -25.906 1.993 1.00 0.00 H new ATOM 1075 N TYR A 69 -7.308 -24.124 1.905 1.00 0.00 N ATOM 1076 CA TYR A 69 -8.678 -24.536 2.189 1.00 0.00 C ATOM 1077 C TYR A 69 -9.633 -24.029 1.113 1.00 0.00 C ATOM 1078 O TYR A 69 -9.948 -22.839 1.056 1.00 0.00 O ATOM 1079 CB TYR A 69 -9.116 -24.017 3.560 1.00 0.00 C ATOM 1080 CG TYR A 69 -8.329 -24.607 4.708 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -6.974 -24.342 4.856 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -8.943 -25.427 5.648 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -6.252 -24.880 5.905 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -8.229 -25.968 6.700 1.00 0.00 C ATOM 1085 CZ TYR A 69 -6.884 -25.691 6.824 1.00 0.00 C ATOM 1086 OH TYR A 69 -6.168 -26.227 7.870 1.00 0.00 O ATOM 0 H TYR A 69 -7.219 -23.177 1.537 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.709 -25.626 2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.013 -22.932 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.174 -24.239 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.476 -23.705 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.997 -25.645 5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.198 -24.666 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.721 -26.604 7.421 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.761 -26.774 8.426 1.00 0.00 H new ATOM 1096 N SER A 70 -10.090 -24.939 0.260 1.00 0.00 N ATOM 1097 CA SER A 70 -11.007 -24.585 -0.819 1.00 0.00 C ATOM 1098 C SER A 70 -12.449 -24.896 -0.429 1.00 0.00 C ATOM 1099 O SER A 70 -12.715 -25.860 0.289 1.00 0.00 O ATOM 1100 CB SER A 70 -10.638 -25.338 -2.097 1.00 0.00 C ATOM 1101 OG SER A 70 -11.026 -24.609 -3.249 1.00 0.00 O ATOM 0 H SER A 70 -9.841 -25.928 0.294 1.00 0.00 H new ATOM 0 HA SER A 70 -10.921 -23.514 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.563 -25.516 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.123 -26.314 -2.100 1.00 0.00 H new ATOM 0 HG SER A 70 -10.777 -25.111 -4.053 1.00 0.00 H new ATOM 1107 N ILE A 71 -13.375 -24.072 -0.908 1.00 0.00 N ATOM 1108 CA ILE A 71 -14.790 -24.257 -0.611 1.00 0.00 C ATOM 1109 C ILE A 71 -15.165 -25.736 -0.627 1.00 0.00 C ATOM 1110 O ILE A 71 -14.616 -26.517 -1.403 1.00 0.00 O ATOM 1111 CB ILE A 71 -15.680 -23.503 -1.616 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -15.604 -24.165 -2.994 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -15.264 -22.042 -1.700 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -14.197 -24.261 -3.541 1.00 0.00 C ATOM 0 H ILE A 71 -13.171 -23.270 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.959 -23.851 0.386 1.00 0.00 H new ATOM 0 HB ILE A 71 -16.712 -23.547 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -16.030 -25.166 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -16.220 -23.600 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -15.902 -21.522 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.365 -21.578 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.226 -21.977 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -14.219 -24.740 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.775 -23.261 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.582 -24.851 -2.862 1.00 0.00 H new ATOM 1126 N ALA A 72 -16.104 -26.111 0.235 1.00 0.00 N ATOM 1127 CA ALA A 72 -16.555 -27.495 0.319 1.00 0.00 C ATOM 1128 C ALA A 72 -18.037 -27.609 -0.019 1.00 0.00 C ATOM 1129 O ALA A 72 -18.823 -26.710 0.279 1.00 0.00 O ATOM 1130 CB ALA A 72 -16.282 -28.057 1.707 1.00 0.00 C ATOM 0 H ALA A 72 -16.567 -25.476 0.885 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.996 -28.079 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.624 -29.091 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.212 -28.019 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -16.814 -27.464 2.451 1.00 0.00 H new ATOM 1136 N SER A 73 -18.413 -28.722 -0.641 1.00 0.00 N ATOM 1137 CA SER A 73 -19.802 -28.953 -1.022 1.00 0.00 C ATOM 1138 C SER A 73 -20.737 -28.719 0.160 1.00 0.00 C ATOM 1139 O SER A 73 -20.439 -29.113 1.287 1.00 0.00 O ATOM 1140 CB SER A 73 -19.978 -30.376 -1.553 1.00 0.00 C ATOM 1141 OG SER A 73 -19.925 -31.322 -0.500 1.00 0.00 O ATOM 0 H SER A 73 -17.776 -29.478 -0.892 1.00 0.00 H new ATOM 0 HA SER A 73 -20.058 -28.245 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 73 -20.933 -30.458 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.198 -30.595 -2.282 1.00 0.00 H new ATOM 0 HG SER A 73 -20.042 -32.224 -0.865 1.00 0.00 H new ATOM 1147 N GLY A 74 -21.870 -28.075 -0.106 1.00 0.00 N ATOM 1148 CA GLY A 74 -22.831 -27.801 0.947 1.00 0.00 C ATOM 1149 C GLY A 74 -23.625 -26.535 0.690 1.00 0.00 C ATOM 1150 O GLY A 74 -24.690 -26.557 0.074 1.00 0.00 O ATOM 0 H GLY A 74 -22.139 -27.739 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -23.516 -28.644 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.307 -27.711 1.899 1.00 0.00 H new ATOM 1154 N PRO A 75 -23.101 -25.397 1.173 1.00 0.00 N ATOM 1155 CA PRO A 75 -23.754 -24.094 1.005 1.00 0.00 C ATOM 1156 C PRO A 75 -23.722 -23.611 -0.441 1.00 0.00 C ATOM 1157 O PRO A 75 -24.636 -22.925 -0.897 1.00 0.00 O ATOM 1158 CB PRO A 75 -22.924 -23.166 1.897 1.00 0.00 C ATOM 1159 CG PRO A 75 -21.585 -23.813 1.974 1.00 0.00 C ATOM 1160 CD PRO A 75 -21.836 -25.294 1.916 1.00 0.00 C ATOM 0 HA PRO A 75 -24.811 -24.130 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -22.856 -22.165 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -23.371 -23.063 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -20.949 -23.493 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -21.072 -23.540 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -21.027 -25.819 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -21.919 -25.727 2.913 1.00 0.00 H new ATOM 1168 N SER A 76 -22.663 -23.975 -1.159 1.00 0.00 N ATOM 1169 CA SER A 76 -22.510 -23.577 -2.553 1.00 0.00 C ATOM 1170 C SER A 76 -23.096 -24.631 -3.488 1.00 0.00 C ATOM 1171 O SER A 76 -22.694 -25.794 -3.457 1.00 0.00 O ATOM 1172 CB SER A 76 -21.033 -23.350 -2.882 1.00 0.00 C ATOM 1173 OG SER A 76 -20.284 -24.541 -2.711 1.00 0.00 O ATOM 0 H SER A 76 -21.898 -24.545 -0.797 1.00 0.00 H new ATOM 0 HA SER A 76 -23.055 -22.644 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.936 -23.000 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.630 -22.568 -2.239 1.00 0.00 H new ATOM 0 HG SER A 76 -20.828 -25.311 -2.980 1.00 0.00 H new ATOM 1179 N SER A 77 -24.049 -24.214 -4.316 1.00 0.00 N ATOM 1180 CA SER A 77 -24.692 -25.124 -5.257 1.00 0.00 C ATOM 1181 C SER A 77 -25.600 -24.358 -6.217 1.00 0.00 C ATOM 1182 O SER A 77 -26.259 -23.395 -5.830 1.00 0.00 O ATOM 1183 CB SER A 77 -25.503 -26.181 -4.504 1.00 0.00 C ATOM 1184 OG SER A 77 -26.387 -25.578 -3.575 1.00 0.00 O ATOM 0 H SER A 77 -24.392 -23.254 -4.354 1.00 0.00 H new ATOM 0 HA SER A 77 -23.913 -25.619 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 77 -26.071 -26.782 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 77 -24.828 -26.858 -3.981 1.00 0.00 H new ATOM 0 HG SER A 77 -26.895 -26.274 -3.108 1.00 0.00 H new ATOM 1190 N GLY A 78 -25.626 -24.796 -7.471 1.00 0.00 N ATOM 1191 CA GLY A 78 -26.454 -24.142 -8.468 1.00 0.00 C ATOM 1192 C GLY A 78 -27.819 -24.789 -8.602 1.00 0.00 C ATOM 1193 O GLY A 78 -28.283 -25.047 -9.713 1.00 0.00 O ATOM 0 H GLY A 78 -25.089 -25.592 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.577 -23.092 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.946 -24.169 -9.432 1.00 0.00 H new TER 1197 GLY A 78