USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 2 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 4 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.081) USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= 0.464 (180deg=-0.223) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.789 USER MOD Single : A 18 TYR OH : rot 113:sc= 0.255 USER MOD Single : A 21 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.063) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0581) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 34 MET CE :methyl -141:sc= -0.292 (180deg=-0.927) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.6) USER MOD Single : A 42 SER OG : rot -33:sc= 0.477 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.139 (180deg=-0.593) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 5:sc= -0.25 USER MOD Single : A 51 GLN : amide:sc= -0.688 K(o=-0.69,f=-6!) USER MOD Single : A 53 HIS : no HD1:sc= 0.625 K(o=0.63,f=-2.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.9! C(o=-1.9!,f=-5.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 75 THR OG1 : rot 98:sc= 0.972 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.642 F(o=-1.3,f=-0.64) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.007 -2.167 -1.850 1.00 22.55 N ATOM 21 CA THR A 2 -10.695 -3.313 -2.714 1.00 62.44 C ATOM 22 C THR A 2 -9.339 -3.077 -3.397 1.00 63.33 C ATOM 23 O THR A 2 -8.813 -1.950 -3.374 1.00 73.32 O ATOM 24 CB THR A 2 -11.821 -3.521 -3.781 1.00 32.22 C ATOM 25 OG1 THR A 2 -12.068 -2.284 -4.479 1.00 11.34 O ATOM 26 CG2 THR A 2 -13.134 -4.027 -3.147 1.00 31.52 C ATOM 0 HA THR A 2 -10.639 -4.217 -2.107 1.00 62.44 H new ATOM 0 HB THR A 2 -11.474 -4.282 -4.479 1.00 32.22 H new ATOM 0 HG1 THR A 2 -12.773 -2.420 -5.146 1.00 11.34 H new ATOM 0 HG21 THR A 2 -13.887 -4.157 -3.924 1.00 31.52 H new ATOM 0 HG22 THR A 2 -12.955 -4.981 -2.652 1.00 31.52 H new ATOM 0 HG23 THR A 2 -13.489 -3.300 -2.416 1.00 31.52 H new ATOM 34 N GLY A 3 -8.783 -4.143 -3.999 1.00 30.33 N ATOM 35 CA GLY A 3 -7.548 -4.057 -4.782 1.00 2.34 C ATOM 36 C GLY A 3 -7.685 -3.153 -5.992 1.00 54.43 C ATOM 37 O GLY A 3 -6.687 -2.634 -6.496 1.00 53.05 O ATOM 0 H GLY A 3 -9.179 -5.082 -3.954 1.00 30.33 H new ATOM 0 HA2 GLY A 3 -6.744 -3.687 -4.146 1.00 2.34 H new ATOM 0 HA3 GLY A 3 -7.260 -5.056 -5.110 1.00 2.34 H new ATOM 41 N GLN A 4 -8.942 -2.985 -6.453 1.00 21.24 N ATOM 42 CA GLN A 4 -9.313 -2.017 -7.491 1.00 43.01 C ATOM 43 C GLN A 4 -8.974 -0.592 -7.019 1.00 42.43 C ATOM 44 O GLN A 4 -8.181 0.097 -7.648 1.00 4.21 O ATOM 45 CB GLN A 4 -10.834 -2.135 -7.807 1.00 34.12 C ATOM 46 CG GLN A 4 -11.373 -1.155 -8.881 1.00 51.31 C ATOM 47 CD GLN A 4 -10.730 -1.287 -10.266 1.00 33.13 C ATOM 48 OE1 GLN A 4 -10.591 -0.296 -10.988 1.00 21.21 O ATOM 49 NE2 GLN A 4 -10.382 -2.501 -10.679 1.00 65.32 N ATOM 0 H GLN A 4 -9.733 -3.527 -6.107 1.00 21.24 H new ATOM 0 HA GLN A 4 -8.750 -2.230 -8.400 1.00 43.01 H new ATOM 0 HB2 GLN A 4 -11.041 -3.154 -8.134 1.00 34.12 H new ATOM 0 HB3 GLN A 4 -11.392 -1.977 -6.884 1.00 34.12 H new ATOM 0 HG2 GLN A 4 -12.448 -1.306 -8.981 1.00 51.31 H new ATOM 0 HG3 GLN A 4 -11.226 -0.135 -8.526 1.00 51.31 H new ATOM 0 HE21 GLN A 4 -10.507 -3.304 -10.063 1.00 65.32 H new ATOM 0 HE22 GLN A 4 -9.990 -2.629 -11.612 1.00 65.32 H new ATOM 58 N GLU A 5 -9.545 -0.210 -5.857 1.00 43.20 N ATOM 59 CA GLU A 5 -9.423 1.149 -5.288 1.00 72.20 C ATOM 60 C GLU A 5 -7.973 1.470 -4.880 1.00 12.33 C ATOM 61 O GLU A 5 -7.505 2.597 -5.062 1.00 72.24 O ATOM 62 CB GLU A 5 -10.371 1.294 -4.068 1.00 24.15 C ATOM 63 CG GLU A 5 -11.863 1.094 -4.394 1.00 4.34 C ATOM 64 CD GLU A 5 -12.753 1.169 -3.145 1.00 61.31 C ATOM 65 OE1 GLU A 5 -12.899 0.143 -2.449 1.00 4.32 O ATOM 66 OE2 GLU A 5 -13.290 2.255 -2.839 1.00 60.13 O ATOM 0 H GLU A 5 -10.107 -0.840 -5.284 1.00 43.20 H new ATOM 0 HA GLU A 5 -9.710 1.864 -6.059 1.00 72.20 H new ATOM 0 HB2 GLU A 5 -10.078 0.570 -3.307 1.00 24.15 H new ATOM 0 HB3 GLU A 5 -10.236 2.285 -3.634 1.00 24.15 H new ATOM 0 HG2 GLU A 5 -12.180 1.853 -5.108 1.00 4.34 H new ATOM 0 HG3 GLU A 5 -12.000 0.126 -4.876 1.00 4.34 H new ATOM 73 N LEU A 6 -7.270 0.458 -4.339 1.00 11.32 N ATOM 74 CA LEU A 6 -5.866 0.591 -3.911 1.00 0.31 C ATOM 75 C LEU A 6 -4.953 0.843 -5.129 1.00 72.14 C ATOM 76 O LEU A 6 -4.086 1.720 -5.085 1.00 11.41 O ATOM 77 CB LEU A 6 -5.412 -0.669 -3.131 1.00 72.33 C ATOM 78 CG LEU A 6 -3.964 -0.627 -2.531 1.00 60.03 C ATOM 79 CD1 LEU A 6 -3.757 0.582 -1.584 1.00 31.11 C ATOM 80 CD2 LEU A 6 -3.639 -1.949 -1.819 1.00 74.42 C ATOM 0 H LEU A 6 -7.659 -0.473 -4.187 1.00 11.32 H new ATOM 0 HA LEU A 6 -5.787 1.449 -3.243 1.00 0.31 H new ATOM 0 HB2 LEU A 6 -6.116 -0.840 -2.316 1.00 72.33 H new ATOM 0 HB3 LEU A 6 -5.482 -1.528 -3.798 1.00 72.33 H new ATOM 0 HG LEU A 6 -3.270 -0.498 -3.361 1.00 60.03 H new ATOM 0 HD11 LEU A 6 -2.739 0.568 -1.193 1.00 31.11 H new ATOM 0 HD12 LEU A 6 -3.922 1.508 -2.135 1.00 31.11 H new ATOM 0 HD13 LEU A 6 -4.464 0.521 -0.757 1.00 31.11 H new ATOM 0 HD21 LEU A 6 -2.630 -1.903 -1.408 1.00 74.42 H new ATOM 0 HD22 LEU A 6 -4.352 -2.112 -1.011 1.00 74.42 H new ATOM 0 HD23 LEU A 6 -3.703 -2.771 -2.532 1.00 74.42 H new ATOM 92 N ARG A 7 -5.191 0.085 -6.225 1.00 13.24 N ATOM 93 CA ARG A 7 -4.461 0.257 -7.501 1.00 71.32 C ATOM 94 C ARG A 7 -4.710 1.655 -8.071 1.00 13.25 C ATOM 95 O ARG A 7 -3.775 2.373 -8.430 1.00 41.12 O ATOM 96 CB ARG A 7 -4.923 -0.795 -8.542 1.00 41.40 C ATOM 97 CG ARG A 7 -4.131 -0.774 -9.868 1.00 2.22 C ATOM 98 CD ARG A 7 -4.679 -1.767 -10.900 1.00 64.21 C ATOM 99 NE ARG A 7 -3.869 -1.793 -12.134 1.00 33.22 N ATOM 100 CZ ARG A 7 -3.508 -2.909 -12.786 1.00 43.40 C ATOM 101 NH1 ARG A 7 -3.868 -4.111 -12.336 1.00 1.23 N ATOM 102 NH2 ARG A 7 -2.794 -2.819 -13.901 1.00 22.30 N ATOM 0 H ARG A 7 -5.890 -0.658 -6.249 1.00 13.24 H new ATOM 0 HA ARG A 7 -3.398 0.125 -7.298 1.00 71.32 H new ATOM 0 HB2 ARG A 7 -4.839 -1.787 -8.099 1.00 41.40 H new ATOM 0 HB3 ARG A 7 -5.978 -0.632 -8.761 1.00 41.40 H new ATOM 0 HG2 ARG A 7 -4.159 0.232 -10.287 1.00 2.22 H new ATOM 0 HG3 ARG A 7 -3.085 -1.006 -9.666 1.00 2.22 H new ATOM 0 HD2 ARG A 7 -4.705 -2.765 -10.463 1.00 64.21 H new ATOM 0 HD3 ARG A 7 -5.707 -1.501 -11.148 1.00 64.21 H new ATOM 0 HE ARG A 7 -3.562 -0.899 -12.518 1.00 33.22 H new ATOM 0 HH11 ARG A 7 -4.425 -4.191 -11.485 1.00 1.23 H new ATOM 0 HH12 ARG A 7 -3.586 -4.950 -12.842 1.00 1.23 H new ATOM 0 HH21 ARG A 7 -2.521 -1.904 -14.260 1.00 22.30 H new ATOM 0 HH22 ARG A 7 -2.518 -3.665 -14.399 1.00 22.30 H new ATOM 116 N GLN A 8 -5.999 2.033 -8.101 1.00 62.51 N ATOM 117 CA GLN A 8 -6.459 3.303 -8.667 1.00 51.12 C ATOM 118 C GLN A 8 -5.971 4.500 -7.845 1.00 62.24 C ATOM 119 O GLN A 8 -5.930 5.601 -8.357 1.00 75.21 O ATOM 120 CB GLN A 8 -8.008 3.319 -8.788 1.00 75.12 C ATOM 121 CG GLN A 8 -8.580 2.357 -9.851 1.00 3.41 C ATOM 122 CD GLN A 8 -8.096 2.629 -11.283 1.00 21.01 C ATOM 123 OE1 GLN A 8 -7.936 1.702 -12.079 1.00 54.25 O ATOM 124 NE2 GLN A 8 -7.910 3.899 -11.650 1.00 21.43 N ATOM 0 H GLN A 8 -6.754 1.457 -7.729 1.00 62.51 H new ATOM 0 HA GLN A 8 -6.029 3.392 -9.665 1.00 51.12 H new ATOM 0 HB2 GLN A 8 -8.438 3.065 -7.819 1.00 75.12 H new ATOM 0 HB3 GLN A 8 -8.330 4.333 -9.024 1.00 75.12 H new ATOM 0 HG2 GLN A 8 -8.314 1.336 -9.579 1.00 3.41 H new ATOM 0 HG3 GLN A 8 -9.668 2.419 -9.831 1.00 3.41 H new ATOM 0 HE21 GLN A 8 -8.048 4.651 -10.974 1.00 21.43 H new ATOM 0 HE22 GLN A 8 -7.630 4.118 -12.606 1.00 21.43 H new ATOM 133 N LEU A 9 -5.604 4.265 -6.576 1.00 41.43 N ATOM 134 CA LEU A 9 -5.020 5.295 -5.693 1.00 40.43 C ATOM 135 C LEU A 9 -3.568 5.609 -6.124 1.00 64.42 C ATOM 136 O LEU A 9 -3.145 6.771 -6.170 1.00 23.11 O ATOM 137 CB LEU A 9 -5.069 4.784 -4.228 1.00 4.03 C ATOM 138 CG LEU A 9 -4.545 5.750 -3.121 1.00 25.30 C ATOM 139 CD1 LEU A 9 -5.310 7.091 -3.119 1.00 34.03 C ATOM 140 CD2 LEU A 9 -4.603 5.071 -1.736 1.00 24.32 C ATOM 0 H LEU A 9 -5.703 3.354 -6.129 1.00 41.43 H new ATOM 0 HA LEU A 9 -5.594 6.219 -5.768 1.00 40.43 H new ATOM 0 HB2 LEU A 9 -6.102 4.529 -3.993 1.00 4.03 H new ATOM 0 HB3 LEU A 9 -4.492 3.861 -4.172 1.00 4.03 H new ATOM 0 HG LEU A 9 -3.504 5.978 -3.347 1.00 25.30 H new ATOM 0 HD11 LEU A 9 -4.914 7.735 -2.333 1.00 34.03 H new ATOM 0 HD12 LEU A 9 -5.188 7.581 -4.085 1.00 34.03 H new ATOM 0 HD13 LEU A 9 -6.369 6.906 -2.937 1.00 34.03 H new ATOM 0 HD21 LEU A 9 -4.233 5.761 -0.977 1.00 24.32 H new ATOM 0 HD22 LEU A 9 -5.633 4.798 -1.507 1.00 24.32 H new ATOM 0 HD23 LEU A 9 -3.983 4.174 -1.744 1.00 24.32 H new ATOM 152 N LEU A 10 -2.830 4.537 -6.469 1.00 53.34 N ATOM 153 CA LEU A 10 -1.432 4.619 -6.945 1.00 20.11 C ATOM 154 C LEU A 10 -1.391 5.207 -8.374 1.00 71.30 C ATOM 155 O LEU A 10 -0.438 5.892 -8.755 1.00 33.51 O ATOM 156 CB LEU A 10 -0.795 3.200 -6.907 1.00 53.40 C ATOM 157 CG LEU A 10 -0.983 2.417 -5.565 1.00 2.40 C ATOM 158 CD1 LEU A 10 -0.519 0.958 -5.687 1.00 31.22 C ATOM 159 CD2 LEU A 10 -0.279 3.126 -4.397 1.00 71.43 C ATOM 0 H LEU A 10 -3.187 3.583 -6.426 1.00 53.34 H new ATOM 0 HA LEU A 10 -0.859 5.280 -6.294 1.00 20.11 H new ATOM 0 HB2 LEU A 10 -1.220 2.607 -7.717 1.00 53.40 H new ATOM 0 HB3 LEU A 10 0.272 3.294 -7.107 1.00 53.40 H new ATOM 0 HG LEU A 10 -2.052 2.403 -5.350 1.00 2.40 H new ATOM 0 HD11 LEU A 10 -0.666 0.449 -4.735 1.00 31.22 H new ATOM 0 HD12 LEU A 10 -1.099 0.455 -6.461 1.00 31.22 H new ATOM 0 HD13 LEU A 10 0.538 0.933 -5.952 1.00 31.22 H new ATOM 0 HD21 LEU A 10 -0.430 2.555 -3.481 1.00 71.43 H new ATOM 0 HD22 LEU A 10 0.788 3.200 -4.607 1.00 71.43 H new ATOM 0 HD23 LEU A 10 -0.695 4.126 -4.274 1.00 71.43 H new ATOM 171 N LEU A 11 -2.462 4.927 -9.145 1.00 51.15 N ATOM 172 CA LEU A 11 -2.657 5.449 -10.515 1.00 22.14 C ATOM 173 C LEU A 11 -3.148 6.906 -10.496 1.00 62.53 C ATOM 174 O LEU A 11 -2.833 7.687 -11.401 1.00 31.20 O ATOM 175 CB LEU A 11 -3.678 4.564 -11.282 1.00 23.20 C ATOM 176 CG LEU A 11 -3.224 3.103 -11.571 1.00 22.33 C ATOM 177 CD1 LEU A 11 -4.375 2.267 -12.167 1.00 41.14 C ATOM 178 CD2 LEU A 11 -1.983 3.090 -12.485 1.00 11.33 C ATOM 0 H LEU A 11 -3.224 4.326 -8.831 1.00 51.15 H new ATOM 0 HA LEU A 11 -1.693 5.420 -11.023 1.00 22.14 H new ATOM 0 HB2 LEU A 11 -4.604 4.530 -10.708 1.00 23.20 H new ATOM 0 HB3 LEU A 11 -3.909 5.048 -12.231 1.00 23.20 H new ATOM 0 HG LEU A 11 -2.946 2.640 -10.624 1.00 22.33 H new ATOM 0 HD11 LEU A 11 -4.027 1.252 -12.358 1.00 41.14 H new ATOM 0 HD12 LEU A 11 -5.207 2.239 -11.463 1.00 41.14 H new ATOM 0 HD13 LEU A 11 -4.706 2.719 -13.102 1.00 41.14 H new ATOM 0 HD21 LEU A 11 -1.682 2.060 -12.675 1.00 11.33 H new ATOM 0 HD22 LEU A 11 -2.222 3.578 -13.430 1.00 11.33 H new ATOM 0 HD23 LEU A 11 -1.167 3.623 -11.998 1.00 11.33 H new ATOM 190 N ASP A 12 -3.938 7.243 -9.464 1.00 11.22 N ATOM 191 CA ASP A 12 -4.502 8.593 -9.271 1.00 71.05 C ATOM 192 C ASP A 12 -3.385 9.595 -8.984 1.00 33.22 C ATOM 193 O ASP A 12 -3.356 10.697 -9.541 1.00 4.54 O ATOM 194 CB ASP A 12 -5.530 8.586 -8.098 1.00 2.13 C ATOM 195 CG ASP A 12 -6.068 9.982 -7.731 1.00 3.43 C ATOM 196 OD1 ASP A 12 -6.883 10.541 -8.503 1.00 50.51 O ATOM 197 OD2 ASP A 12 -5.674 10.536 -6.680 1.00 5.51 O ATOM 0 H ASP A 12 -4.206 6.583 -8.734 1.00 11.22 H new ATOM 0 HA ASP A 12 -5.015 8.891 -10.185 1.00 71.05 H new ATOM 0 HB2 ASP A 12 -6.368 7.943 -8.367 1.00 2.13 H new ATOM 0 HB3 ASP A 12 -5.060 8.146 -7.219 1.00 2.13 H new ATOM 202 N LYS A 13 -2.454 9.176 -8.120 1.00 70.41 N ATOM 203 CA LYS A 13 -1.396 10.042 -7.603 1.00 70.44 C ATOM 204 C LYS A 13 -0.159 10.005 -8.518 1.00 2.40 C ATOM 205 O LYS A 13 0.238 11.030 -9.093 1.00 23.51 O ATOM 206 CB LYS A 13 -1.028 9.611 -6.150 1.00 34.35 C ATOM 207 CG LYS A 13 -0.243 10.672 -5.351 1.00 30.21 C ATOM 208 CD LYS A 13 -1.030 12.003 -5.235 1.00 54.23 C ATOM 209 CE LYS A 13 -0.279 13.077 -4.441 1.00 33.03 C ATOM 210 NZ LYS A 13 1.049 13.390 -5.025 1.00 4.54 N ATOM 0 H LYS A 13 -2.416 8.222 -7.760 1.00 70.41 H new ATOM 0 HA LYS A 13 -1.759 11.069 -7.584 1.00 70.44 H new ATOM 0 HB2 LYS A 13 -1.945 9.373 -5.611 1.00 34.35 H new ATOM 0 HB3 LYS A 13 -0.437 8.696 -6.194 1.00 34.35 H new ATOM 0 HG2 LYS A 13 -0.027 10.289 -4.354 1.00 30.21 H new ATOM 0 HG3 LYS A 13 0.715 10.857 -5.836 1.00 30.21 H new ATOM 0 HD2 LYS A 13 -1.243 12.381 -6.235 1.00 54.23 H new ATOM 0 HD3 LYS A 13 -1.990 11.810 -4.756 1.00 54.23 H new ATOM 0 HE2 LYS A 13 -0.880 13.985 -4.406 1.00 33.03 H new ATOM 0 HE3 LYS A 13 -0.150 12.740 -3.412 1.00 33.03 H new ATOM 0 HZ1 LYS A 13 1.795 13.141 -4.344 1.00 4.54 H new ATOM 0 HZ2 LYS A 13 1.182 12.843 -5.899 1.00 4.54 H new ATOM 0 HZ3 LYS A 13 1.102 14.406 -5.241 1.00 4.54 H new ATOM 224 N TRP A 14 0.436 8.812 -8.656 1.00 61.22 N ATOM 225 CA TRP A 14 1.745 8.638 -9.318 1.00 61.41 C ATOM 226 C TRP A 14 1.597 8.180 -10.783 1.00 51.42 C ATOM 227 O TRP A 14 2.452 8.493 -11.623 1.00 15.45 O ATOM 228 CB TRP A 14 2.597 7.631 -8.506 1.00 40.01 C ATOM 229 CG TRP A 14 2.887 8.087 -7.085 1.00 32.33 C ATOM 230 CD1 TRP A 14 3.386 9.302 -6.713 1.00 1.11 C ATOM 231 CD2 TRP A 14 2.710 7.349 -5.860 1.00 44.41 C ATOM 232 NE1 TRP A 14 3.530 9.363 -5.351 1.00 61.43 N ATOM 233 CE2 TRP A 14 3.122 8.184 -4.805 1.00 22.12 C ATOM 234 CE3 TRP A 14 2.244 6.070 -5.551 1.00 72.33 C ATOM 235 CZ2 TRP A 14 3.091 7.784 -3.470 1.00 33.03 C ATOM 236 CZ3 TRP A 14 2.211 5.676 -4.226 1.00 4.23 C ATOM 237 CH2 TRP A 14 2.631 6.530 -3.199 1.00 30.43 C ATOM 0 H TRP A 14 0.029 7.941 -8.315 1.00 61.22 H new ATOM 0 HA TRP A 14 2.249 9.604 -9.344 1.00 61.41 H new ATOM 0 HB2 TRP A 14 2.078 6.673 -8.473 1.00 40.01 H new ATOM 0 HB3 TRP A 14 3.541 7.465 -9.025 1.00 40.01 H new ATOM 0 HD1 TRP A 14 3.633 10.102 -7.395 1.00 1.11 H new ATOM 0 HE1 TRP A 14 3.886 10.164 -4.830 1.00 61.43 H new ATOM 0 HE3 TRP A 14 1.915 5.401 -6.332 1.00 72.33 H new ATOM 0 HZ2 TRP A 14 3.419 8.443 -2.680 1.00 33.03 H new ATOM 0 HZ3 TRP A 14 1.853 4.688 -3.978 1.00 4.23 H new ATOM 0 HH2 TRP A 14 2.590 6.189 -2.175 1.00 30.43 H new ATOM 248 N GLY A 15 0.506 7.450 -11.079 1.00 42.12 N ATOM 249 CA GLY A 15 0.232 6.954 -12.439 1.00 52.11 C ATOM 250 C GLY A 15 0.952 5.654 -12.775 1.00 2.12 C ATOM 251 O GLY A 15 1.110 5.312 -13.952 1.00 24.40 O ATOM 0 H GLY A 15 -0.202 7.190 -10.392 1.00 42.12 H new ATOM 0 HA2 GLY A 15 -0.842 6.804 -12.552 1.00 52.11 H new ATOM 0 HA3 GLY A 15 0.524 7.717 -13.160 1.00 52.11 H new ATOM 255 N TYR A 16 1.382 4.928 -11.733 1.00 2.45 N ATOM 256 CA TYR A 16 2.062 3.627 -11.864 1.00 43.11 C ATOM 257 C TYR A 16 1.430 2.646 -10.878 1.00 52.22 C ATOM 258 O TYR A 16 1.122 3.023 -9.735 1.00 34.24 O ATOM 259 CB TYR A 16 3.588 3.740 -11.586 1.00 40.15 C ATOM 260 CG TYR A 16 4.352 4.693 -12.519 1.00 45.51 C ATOM 261 CD1 TYR A 16 4.847 4.259 -13.751 1.00 72.42 C ATOM 262 CD2 TYR A 16 4.565 6.032 -12.173 1.00 15.41 C ATOM 263 CE1 TYR A 16 5.526 5.118 -14.597 1.00 41.02 C ATOM 264 CE2 TYR A 16 5.245 6.892 -13.017 1.00 3.43 C ATOM 265 CZ TYR A 16 5.718 6.431 -14.227 1.00 73.54 C ATOM 266 OH TYR A 16 6.384 7.291 -15.075 1.00 21.45 O ATOM 0 H TYR A 16 1.267 5.229 -10.765 1.00 2.45 H new ATOM 0 HA TYR A 16 1.943 3.275 -12.889 1.00 43.11 H new ATOM 0 HB2 TYR A 16 3.731 4.072 -10.558 1.00 40.15 H new ATOM 0 HB3 TYR A 16 4.030 2.747 -11.665 1.00 40.15 H new ATOM 0 HD1 TYR A 16 4.697 3.232 -14.049 1.00 72.42 H new ATOM 0 HD2 TYR A 16 4.192 6.401 -11.229 1.00 15.41 H new ATOM 0 HE1 TYR A 16 5.904 4.761 -15.543 1.00 41.02 H new ATOM 0 HE2 TYR A 16 5.405 7.921 -12.729 1.00 3.43 H new ATOM 0 HH TYR A 16 6.434 8.180 -14.666 1.00 21.45 H new ATOM 276 N SER A 17 1.231 1.397 -11.321 1.00 70.43 N ATOM 277 CA SER A 17 0.623 0.351 -10.495 1.00 45.25 C ATOM 278 C SER A 17 1.705 -0.313 -9.619 1.00 1.25 C ATOM 279 O SER A 17 2.151 -1.427 -9.910 1.00 52.14 O ATOM 280 CB SER A 17 -0.095 -0.689 -11.398 1.00 35.54 C ATOM 281 OG SER A 17 -0.953 -0.065 -12.332 1.00 12.03 O ATOM 0 H SER A 17 1.487 1.087 -12.258 1.00 70.43 H new ATOM 0 HA SER A 17 -0.124 0.792 -9.836 1.00 45.25 H new ATOM 0 HB2 SER A 17 0.648 -1.286 -11.928 1.00 35.54 H new ATOM 0 HB3 SER A 17 -0.671 -1.375 -10.777 1.00 35.54 H new ATOM 0 HG SER A 17 -1.387 -0.748 -12.885 1.00 12.03 H new ATOM 287 N TYR A 18 2.145 0.396 -8.564 1.00 11.53 N ATOM 288 CA TYR A 18 3.153 -0.124 -7.614 1.00 63.50 C ATOM 289 C TYR A 18 2.555 -1.239 -6.738 1.00 33.23 C ATOM 290 O TYR A 18 1.342 -1.298 -6.543 1.00 51.33 O ATOM 291 CB TYR A 18 3.691 1.002 -6.700 1.00 15.05 C ATOM 292 CG TYR A 18 4.390 2.163 -7.423 1.00 71.20 C ATOM 293 CD1 TYR A 18 5.674 2.016 -7.959 1.00 74.52 C ATOM 294 CD2 TYR A 18 3.784 3.416 -7.535 1.00 23.41 C ATOM 295 CE1 TYR A 18 6.323 3.072 -8.573 1.00 32.24 C ATOM 296 CE2 TYR A 18 4.429 4.470 -8.154 1.00 12.34 C ATOM 297 CZ TYR A 18 5.697 4.297 -8.668 1.00 44.14 C ATOM 298 OH TYR A 18 6.341 5.358 -9.276 1.00 64.21 O ATOM 0 H TYR A 18 1.818 1.337 -8.344 1.00 11.53 H new ATOM 0 HA TYR A 18 3.976 -0.528 -8.204 1.00 63.50 H new ATOM 0 HB2 TYR A 18 2.860 1.405 -6.122 1.00 15.05 H new ATOM 0 HB3 TYR A 18 4.392 0.565 -5.989 1.00 15.05 H new ATOM 0 HD1 TYR A 18 6.169 1.058 -7.892 1.00 74.52 H new ATOM 0 HD2 TYR A 18 2.794 3.564 -7.131 1.00 23.41 H new ATOM 0 HE1 TYR A 18 7.316 2.938 -8.976 1.00 32.24 H new ATOM 0 HE2 TYR A 18 3.940 5.429 -8.235 1.00 12.34 H new ATOM 0 HH TYR A 18 5.876 5.590 -10.107 1.00 64.21 H new ATOM 308 N ASP A 19 3.405 -2.130 -6.219 1.00 55.21 N ATOM 309 CA ASP A 19 2.974 -3.156 -5.249 1.00 75.31 C ATOM 310 C ASP A 19 3.311 -2.689 -3.826 1.00 14.23 C ATOM 311 O ASP A 19 4.320 -2.023 -3.606 1.00 3.23 O ATOM 312 CB ASP A 19 3.611 -4.530 -5.573 1.00 21.43 C ATOM 313 CG ASP A 19 5.140 -4.575 -5.429 1.00 42.25 C ATOM 314 OD1 ASP A 19 5.846 -3.941 -6.244 1.00 24.43 O ATOM 315 OD2 ASP A 19 5.646 -5.260 -4.509 1.00 12.11 O ATOM 0 H ASP A 19 4.398 -2.166 -6.451 1.00 55.21 H new ATOM 0 HA ASP A 19 1.894 -3.287 -5.320 1.00 75.31 H new ATOM 0 HB2 ASP A 19 3.175 -5.282 -4.916 1.00 21.43 H new ATOM 0 HB3 ASP A 19 3.347 -4.807 -6.594 1.00 21.43 H new ATOM 320 N VAL A 20 2.442 -3.022 -2.864 1.00 32.10 N ATOM 321 CA VAL A 20 2.559 -2.558 -1.462 1.00 22.21 C ATOM 322 C VAL A 20 2.664 -3.768 -0.510 1.00 5.11 C ATOM 323 O VAL A 20 2.140 -4.843 -0.819 1.00 34.33 O ATOM 324 CB VAL A 20 1.331 -1.646 -1.078 1.00 2.53 C ATOM 325 CG1 VAL A 20 1.311 -0.336 -1.901 1.00 42.21 C ATOM 326 CG2 VAL A 20 0.003 -2.404 -1.253 1.00 4.05 C ATOM 0 H VAL A 20 1.634 -3.622 -3.029 1.00 32.10 H new ATOM 0 HA VAL A 20 3.466 -1.962 -1.363 1.00 22.21 H new ATOM 0 HB VAL A 20 1.446 -1.381 -0.027 1.00 2.53 H new ATOM 0 HG11 VAL A 20 0.450 0.265 -1.607 1.00 42.21 H new ATOM 0 HG12 VAL A 20 2.226 0.225 -1.714 1.00 42.21 H new ATOM 0 HG13 VAL A 20 1.242 -0.574 -2.962 1.00 42.21 H new ATOM 0 HG21 VAL A 20 -0.827 -1.752 -0.981 1.00 4.05 H new ATOM 0 HG22 VAL A 20 -0.105 -2.714 -2.292 1.00 4.05 H new ATOM 0 HG23 VAL A 20 -0.001 -3.284 -0.609 1.00 4.05 H new ATOM 336 N GLN A 21 3.340 -3.593 0.643 1.00 20.23 N ATOM 337 CA GLN A 21 3.582 -4.695 1.609 1.00 12.23 C ATOM 338 C GLN A 21 3.476 -4.203 3.062 1.00 42.21 C ATOM 339 O GLN A 21 3.899 -3.096 3.374 1.00 2.42 O ATOM 340 CB GLN A 21 4.985 -5.328 1.377 1.00 62.10 C ATOM 341 CG GLN A 21 6.165 -4.334 1.446 1.00 44.23 C ATOM 342 CD GLN A 21 7.535 -5.010 1.450 1.00 63.54 C ATOM 343 OE1 GLN A 21 8.090 -5.307 2.508 1.00 5.41 O ATOM 344 NE2 GLN A 21 8.079 -5.282 0.275 1.00 52.54 N ATOM 0 H GLN A 21 3.731 -2.697 0.933 1.00 20.23 H new ATOM 0 HA GLN A 21 2.812 -5.448 1.442 1.00 12.23 H new ATOM 0 HB2 GLN A 21 5.143 -6.109 2.121 1.00 62.10 H new ATOM 0 HB3 GLN A 21 4.993 -5.812 0.400 1.00 62.10 H new ATOM 0 HG2 GLN A 21 6.107 -3.655 0.596 1.00 44.23 H new ATOM 0 HG3 GLN A 21 6.066 -3.727 2.346 1.00 44.23 H new ATOM 0 HE21 GLN A 21 7.594 -5.023 -0.584 1.00 52.54 H new ATOM 0 HE22 GLN A 21 8.984 -5.751 0.228 1.00 52.54 H new ATOM 353 N PHE A 22 2.899 -5.041 3.940 1.00 73.13 N ATOM 354 CA PHE A 22 2.868 -4.784 5.391 1.00 4.10 C ATOM 355 C PHE A 22 4.194 -5.203 6.029 1.00 20.15 C ATOM 356 O PHE A 22 4.675 -6.320 5.804 1.00 32.21 O ATOM 357 CB PHE A 22 1.703 -5.548 6.064 1.00 51.04 C ATOM 358 CG PHE A 22 0.327 -5.018 5.690 1.00 25.14 C ATOM 359 CD1 PHE A 22 -0.126 -3.796 6.199 1.00 53.41 C ATOM 360 CD2 PHE A 22 -0.510 -5.726 4.839 1.00 51.33 C ATOM 361 CE1 PHE A 22 -1.371 -3.314 5.869 1.00 14.44 C ATOM 362 CE2 PHE A 22 -1.750 -5.239 4.515 1.00 75.13 C ATOM 363 CZ PHE A 22 -2.182 -4.034 5.026 1.00 35.34 C ATOM 0 H PHE A 22 2.443 -5.911 3.666 1.00 73.13 H new ATOM 0 HA PHE A 22 2.715 -3.715 5.541 1.00 4.10 H new ATOM 0 HB2 PHE A 22 1.764 -6.601 5.789 1.00 51.04 H new ATOM 0 HB3 PHE A 22 1.822 -5.494 7.146 1.00 51.04 H new ATOM 0 HD1 PHE A 22 0.510 -3.224 6.859 1.00 53.41 H new ATOM 0 HD2 PHE A 22 -0.182 -6.669 4.428 1.00 51.33 H new ATOM 0 HE1 PHE A 22 -1.710 -2.371 6.272 1.00 14.44 H new ATOM 0 HE2 PHE A 22 -2.392 -5.803 3.855 1.00 75.13 H new ATOM 0 HZ PHE A 22 -3.159 -3.656 4.763 1.00 35.34 H new ATOM 373 N ARG A 23 4.767 -4.301 6.822 1.00 52.30 N ATOM 374 CA ARG A 23 6.004 -4.543 7.565 1.00 50.01 C ATOM 375 C ARG A 23 5.751 -4.264 9.046 1.00 61.00 C ATOM 376 O ARG A 23 5.233 -3.203 9.406 1.00 21.30 O ATOM 377 CB ARG A 23 7.141 -3.635 7.029 1.00 31.43 C ATOM 378 CG ARG A 23 8.494 -3.835 7.755 1.00 40.44 C ATOM 379 CD ARG A 23 9.584 -2.872 7.270 1.00 1.12 C ATOM 380 NE ARG A 23 10.859 -3.070 7.984 1.00 3.21 N ATOM 381 CZ ARG A 23 11.732 -2.097 8.300 1.00 4.24 C ATOM 382 NH1 ARG A 23 11.488 -0.825 7.977 1.00 11.33 N ATOM 383 NH2 ARG A 23 12.853 -2.403 8.938 1.00 30.14 N ATOM 0 H ARG A 23 4.381 -3.368 6.970 1.00 52.30 H new ATOM 0 HA ARG A 23 6.313 -5.580 7.436 1.00 50.01 H new ATOM 0 HB2 ARG A 23 7.278 -3.829 5.965 1.00 31.43 H new ATOM 0 HB3 ARG A 23 6.838 -2.593 7.126 1.00 31.43 H new ATOM 0 HG2 ARG A 23 8.348 -3.699 8.827 1.00 40.44 H new ATOM 0 HG3 ARG A 23 8.831 -4.861 7.606 1.00 40.44 H new ATOM 0 HD2 ARG A 23 9.742 -3.014 6.201 1.00 1.12 H new ATOM 0 HD3 ARG A 23 9.247 -1.845 7.409 1.00 1.12 H new ATOM 0 HE ARG A 23 11.098 -4.022 8.261 1.00 3.21 H new ATOM 0 HH11 ARG A 23 10.630 -0.580 7.484 1.00 11.33 H new ATOM 0 HH12 ARG A 23 12.160 -0.098 8.224 1.00 11.33 H new ATOM 0 HH21 ARG A 23 13.050 -3.372 9.187 1.00 30.14 H new ATOM 0 HH22 ARG A 23 13.519 -1.669 9.180 1.00 30.14 H new ATOM 397 N ARG A 24 6.134 -5.212 9.896 1.00 4.43 N ATOM 398 CA ARG A 24 5.953 -5.120 11.346 1.00 62.11 C ATOM 399 C ARG A 24 7.328 -5.032 12.022 1.00 61.34 C ATOM 400 O ARG A 24 8.079 -6.015 12.067 1.00 44.32 O ATOM 401 CB ARG A 24 5.120 -6.328 11.868 1.00 74.12 C ATOM 402 CG ARG A 24 3.611 -6.249 11.524 1.00 64.44 C ATOM 403 CD ARG A 24 2.788 -7.431 12.077 1.00 40.11 C ATOM 404 NE ARG A 24 1.334 -7.199 11.931 1.00 63.12 N ATOM 405 CZ ARG A 24 0.376 -8.129 12.095 1.00 53.20 C ATOM 406 NH1 ARG A 24 0.684 -9.389 12.408 1.00 34.51 N ATOM 407 NH2 ARG A 24 -0.898 -7.781 11.959 1.00 1.23 N ATOM 0 H ARG A 24 6.584 -6.077 9.597 1.00 4.43 H new ATOM 0 HA ARG A 24 5.393 -4.218 11.594 1.00 62.11 H new ATOM 0 HB2 ARG A 24 5.530 -7.247 11.449 1.00 74.12 H new ATOM 0 HB3 ARG A 24 5.232 -6.393 12.950 1.00 74.12 H new ATOM 0 HG2 ARG A 24 3.205 -5.318 11.920 1.00 64.44 H new ATOM 0 HG3 ARG A 24 3.495 -6.212 10.441 1.00 64.44 H new ATOM 0 HD2 ARG A 24 3.065 -8.345 11.552 1.00 40.11 H new ATOM 0 HD3 ARG A 24 3.029 -7.582 13.129 1.00 40.11 H new ATOM 0 HE ARG A 24 1.033 -6.256 11.686 1.00 63.12 H new ATOM 0 HH11 ARG A 24 1.660 -9.661 12.527 1.00 34.51 H new ATOM 0 HH12 ARG A 24 -0.056 -10.080 12.528 1.00 34.51 H new ATOM 0 HH21 ARG A 24 -1.142 -6.817 11.732 1.00 1.23 H new ATOM 0 HH22 ARG A 24 -1.633 -8.478 12.081 1.00 1.23 H new ATOM 421 N THR A 25 7.657 -3.831 12.515 1.00 21.32 N ATOM 422 CA THR A 25 8.927 -3.546 13.200 1.00 13.52 C ATOM 423 C THR A 25 8.680 -2.525 14.328 1.00 33.42 C ATOM 424 O THR A 25 7.913 -1.576 14.141 1.00 32.25 O ATOM 425 CB THR A 25 10.024 -3.034 12.199 1.00 3.14 C ATOM 426 OG1 THR A 25 11.237 -2.695 12.899 1.00 61.53 O ATOM 427 CG2 THR A 25 9.552 -1.831 11.361 1.00 73.34 C ATOM 0 H THR A 25 7.042 -3.020 12.449 1.00 21.32 H new ATOM 0 HA THR A 25 9.306 -4.472 13.632 1.00 13.52 H new ATOM 0 HB THR A 25 10.218 -3.856 11.510 1.00 3.14 H new ATOM 0 HG1 THR A 25 11.908 -2.380 12.258 1.00 61.53 H new ATOM 0 HG21 THR A 25 10.351 -1.521 10.688 1.00 73.34 H new ATOM 0 HG22 THR A 25 8.676 -2.115 10.778 1.00 73.34 H new ATOM 0 HG23 THR A 25 9.294 -1.005 12.024 1.00 73.34 H new ATOM 435 N GLN A 26 9.326 -2.754 15.497 1.00 75.42 N ATOM 436 CA GLN A 26 9.207 -1.907 16.715 1.00 24.04 C ATOM 437 C GLN A 26 7.777 -1.919 17.317 1.00 54.44 C ATOM 438 O GLN A 26 7.424 -1.031 18.102 1.00 21.33 O ATOM 439 CB GLN A 26 9.687 -0.444 16.453 1.00 54.13 C ATOM 440 CG GLN A 26 11.150 -0.310 15.997 1.00 4.42 C ATOM 441 CD GLN A 26 11.620 1.150 15.940 1.00 41.43 C ATOM 442 OE1 GLN A 26 11.477 1.832 14.923 1.00 10.14 O ATOM 443 NE2 GLN A 26 12.166 1.648 17.039 1.00 52.24 N ATOM 0 H GLN A 26 9.956 -3.546 15.625 1.00 75.42 H new ATOM 0 HA GLN A 26 9.870 -2.353 17.457 1.00 24.04 H new ATOM 0 HB2 GLN A 26 9.044 0.003 15.695 1.00 54.13 H new ATOM 0 HB3 GLN A 26 9.553 0.135 17.367 1.00 54.13 H new ATOM 0 HG2 GLN A 26 11.792 -0.868 16.679 1.00 4.42 H new ATOM 0 HG3 GLN A 26 11.262 -0.763 15.012 1.00 4.42 H new ATOM 0 HE21 GLN A 26 12.272 1.061 17.867 1.00 52.24 H new ATOM 0 HE22 GLN A 26 12.480 2.618 17.058 1.00 52.24 H new ATOM 452 N GLY A 27 6.980 -2.958 16.981 1.00 45.34 N ATOM 453 CA GLY A 27 5.564 -3.024 17.384 1.00 62.31 C ATOM 454 C GLY A 27 4.662 -2.114 16.553 1.00 1.01 C ATOM 455 O GLY A 27 3.488 -1.924 16.882 1.00 64.22 O ATOM 0 H GLY A 27 7.296 -3.758 16.433 1.00 45.34 H new ATOM 0 HA2 GLY A 27 5.214 -4.052 17.294 1.00 62.31 H new ATOM 0 HA3 GLY A 27 5.478 -2.749 18.435 1.00 62.31 H new ATOM 459 N LYS A 28 5.229 -1.549 15.476 1.00 32.25 N ATOM 460 CA LYS A 28 4.533 -0.636 14.558 1.00 20.01 C ATOM 461 C LYS A 28 4.170 -1.389 13.262 1.00 51.55 C ATOM 462 O LYS A 28 4.669 -2.501 13.022 1.00 22.32 O ATOM 463 CB LYS A 28 5.462 0.565 14.237 1.00 35.40 C ATOM 464 CG LYS A 28 5.982 1.336 15.475 1.00 31.44 C ATOM 465 CD LYS A 28 7.146 2.299 15.124 1.00 12.42 C ATOM 466 CE LYS A 28 7.651 3.096 16.334 1.00 34.22 C ATOM 467 NZ LYS A 28 6.609 4.007 16.873 1.00 1.23 N ATOM 0 H LYS A 28 6.201 -1.717 15.215 1.00 32.25 H new ATOM 0 HA LYS A 28 3.617 -0.269 15.021 1.00 20.01 H new ATOM 0 HB2 LYS A 28 6.318 0.202 13.668 1.00 35.40 H new ATOM 0 HB3 LYS A 28 4.923 1.261 13.594 1.00 35.40 H new ATOM 0 HG2 LYS A 28 5.163 1.905 15.916 1.00 31.44 H new ATOM 0 HG3 LYS A 28 6.318 0.624 16.229 1.00 31.44 H new ATOM 0 HD2 LYS A 28 7.972 1.724 14.704 1.00 12.42 H new ATOM 0 HD3 LYS A 28 6.815 2.993 14.351 1.00 12.42 H new ATOM 0 HE2 LYS A 28 7.969 2.406 17.116 1.00 34.22 H new ATOM 0 HE3 LYS A 28 8.527 3.677 16.046 1.00 34.22 H new ATOM 0 HZ1 LYS A 28 7.020 4.599 17.623 1.00 1.23 H new ATOM 0 HZ2 LYS A 28 6.250 4.615 16.109 1.00 1.23 H new ATOM 0 HZ3 LYS A 28 5.826 3.446 17.265 1.00 1.23 H new ATOM 481 N ILE A 29 3.324 -0.765 12.421 1.00 10.21 N ATOM 482 CA ILE A 29 2.907 -1.330 11.122 1.00 32.32 C ATOM 483 C ILE A 29 3.063 -0.261 10.014 1.00 62.22 C ATOM 484 O ILE A 29 2.546 0.863 10.118 1.00 22.11 O ATOM 485 CB ILE A 29 1.434 -1.903 11.175 1.00 54.23 C ATOM 486 CG1 ILE A 29 0.987 -2.522 9.804 1.00 65.04 C ATOM 487 CG2 ILE A 29 0.429 -0.845 11.672 1.00 11.41 C ATOM 488 CD1 ILE A 29 1.816 -3.723 9.354 1.00 34.21 C ATOM 0 H ILE A 29 2.910 0.145 12.622 1.00 10.21 H new ATOM 0 HA ILE A 29 3.557 -2.173 10.888 1.00 32.32 H new ATOM 0 HB ILE A 29 1.441 -2.716 11.901 1.00 54.23 H new ATOM 0 HG12 ILE A 29 -0.057 -2.825 9.879 1.00 65.04 H new ATOM 0 HG13 ILE A 29 1.041 -1.750 9.036 1.00 65.04 H new ATOM 0 HG21 ILE A 29 -0.572 -1.276 11.695 1.00 11.41 H new ATOM 0 HG22 ILE A 29 0.708 -0.521 12.675 1.00 11.41 H new ATOM 0 HG23 ILE A 29 0.440 0.012 10.998 1.00 11.41 H new ATOM 0 HD11 ILE A 29 1.439 -4.088 8.398 1.00 34.21 H new ATOM 0 HD12 ILE A 29 2.858 -3.424 9.243 1.00 34.21 H new ATOM 0 HD13 ILE A 29 1.743 -4.515 10.099 1.00 34.21 H new ATOM 500 N PHE A 30 3.801 -0.635 8.960 1.00 70.22 N ATOM 501 CA PHE A 30 4.153 0.250 7.841 1.00 51.14 C ATOM 502 C PHE A 30 3.779 -0.426 6.523 1.00 61.15 C ATOM 503 O PHE A 30 4.269 -1.521 6.228 1.00 14.44 O ATOM 504 CB PHE A 30 5.673 0.553 7.848 1.00 62.25 C ATOM 505 CG PHE A 30 6.184 1.225 9.124 1.00 44.24 C ATOM 506 CD1 PHE A 30 5.909 2.569 9.380 1.00 25.22 C ATOM 507 CD2 PHE A 30 6.919 0.515 10.076 1.00 33.25 C ATOM 508 CE1 PHE A 30 6.372 3.183 10.531 1.00 62.22 C ATOM 509 CE2 PHE A 30 7.382 1.134 11.222 1.00 23.14 C ATOM 510 CZ PHE A 30 7.097 2.464 11.454 1.00 73.45 C ATOM 0 H PHE A 30 4.177 -1.578 8.859 1.00 70.22 H new ATOM 0 HA PHE A 30 3.606 1.187 7.948 1.00 51.14 H new ATOM 0 HB2 PHE A 30 6.217 -0.380 7.702 1.00 62.25 H new ATOM 0 HB3 PHE A 30 5.906 1.194 6.998 1.00 62.25 H new ATOM 0 HD1 PHE A 30 5.327 3.138 8.670 1.00 25.22 H new ATOM 0 HD2 PHE A 30 7.129 -0.532 9.915 1.00 33.25 H new ATOM 0 HE1 PHE A 30 6.164 4.228 10.705 1.00 62.22 H new ATOM 0 HE2 PHE A 30 7.968 0.576 11.937 1.00 23.14 H new ATOM 0 HZ PHE A 30 7.443 2.941 12.359 1.00 73.45 H new ATOM 520 N LEU A 31 2.914 0.223 5.737 1.00 33.24 N ATOM 521 CA LEU A 31 2.575 -0.250 4.394 1.00 34.12 C ATOM 522 C LEU A 31 3.557 0.396 3.396 1.00 61.23 C ATOM 523 O LEU A 31 3.385 1.545 2.994 1.00 44.22 O ATOM 524 CB LEU A 31 1.096 0.089 4.029 1.00 13.42 C ATOM 525 CG LEU A 31 0.595 -0.494 2.662 1.00 32.35 C ATOM 526 CD1 LEU A 31 0.645 -2.032 2.666 1.00 54.15 C ATOM 527 CD2 LEU A 31 -0.820 0.013 2.310 1.00 30.31 C ATOM 0 H LEU A 31 2.435 1.081 6.011 1.00 33.24 H new ATOM 0 HA LEU A 31 2.665 -1.336 4.353 1.00 34.12 H new ATOM 0 HB2 LEU A 31 0.448 -0.282 4.823 1.00 13.42 H new ATOM 0 HB3 LEU A 31 0.983 1.173 4.007 1.00 13.42 H new ATOM 0 HG LEU A 31 1.272 -0.135 1.887 1.00 32.35 H new ATOM 0 HD11 LEU A 31 0.292 -2.410 1.706 1.00 54.15 H new ATOM 0 HD12 LEU A 31 1.671 -2.362 2.831 1.00 54.15 H new ATOM 0 HD13 LEU A 31 0.008 -2.415 3.463 1.00 54.15 H new ATOM 0 HD21 LEU A 31 -1.132 -0.413 1.356 1.00 30.31 H new ATOM 0 HD22 LEU A 31 -1.519 -0.290 3.089 1.00 30.31 H new ATOM 0 HD23 LEU A 31 -0.809 1.100 2.236 1.00 30.31 H new ATOM 539 N GLN A 32 4.600 -0.356 3.024 1.00 44.33 N ATOM 540 CA GLN A 32 5.670 0.126 2.143 1.00 32.12 C ATOM 541 C GLN A 32 5.266 -0.043 0.672 1.00 32.03 C ATOM 542 O GLN A 32 5.157 -1.171 0.170 1.00 0.21 O ATOM 543 CB GLN A 32 6.981 -0.661 2.416 1.00 0.54 C ATOM 544 CG GLN A 32 7.611 -0.418 3.802 1.00 25.01 C ATOM 545 CD GLN A 32 8.887 -1.242 4.033 1.00 61.23 C ATOM 546 OE1 GLN A 32 9.020 -2.367 3.545 1.00 3.31 O ATOM 547 NE2 GLN A 32 9.842 -0.688 4.758 1.00 63.43 N ATOM 0 H GLN A 32 4.726 -1.322 3.328 1.00 44.33 H new ATOM 0 HA GLN A 32 5.836 1.184 2.347 1.00 32.12 H new ATOM 0 HB2 GLN A 32 6.776 -1.726 2.308 1.00 0.54 H new ATOM 0 HB3 GLN A 32 7.711 -0.398 1.651 1.00 0.54 H new ATOM 0 HG2 GLN A 32 7.845 0.641 3.908 1.00 25.01 H new ATOM 0 HG3 GLN A 32 6.882 -0.663 4.575 1.00 25.01 H new ATOM 0 HE21 GLN A 32 9.708 0.244 5.151 1.00 63.43 H new ATOM 0 HE22 GLN A 32 10.713 -1.192 4.925 1.00 63.43 H new ATOM 556 N VAL A 33 5.010 1.094 0.009 1.00 54.23 N ATOM 557 CA VAL A 33 4.828 1.156 -1.439 1.00 43.11 C ATOM 558 C VAL A 33 6.200 0.982 -2.112 1.00 34.50 C ATOM 559 O VAL A 33 7.066 1.864 -2.001 1.00 12.15 O ATOM 560 CB VAL A 33 4.185 2.522 -1.902 1.00 75.02 C ATOM 561 CG1 VAL A 33 3.824 2.479 -3.401 1.00 35.03 C ATOM 562 CG2 VAL A 33 2.956 2.894 -1.045 1.00 10.20 C ATOM 0 H VAL A 33 4.924 2.000 0.470 1.00 54.23 H new ATOM 0 HA VAL A 33 4.144 0.360 -1.732 1.00 43.11 H new ATOM 0 HB VAL A 33 4.931 3.303 -1.754 1.00 75.02 H new ATOM 0 HG11 VAL A 33 3.383 3.431 -3.696 1.00 35.03 H new ATOM 0 HG12 VAL A 33 4.725 2.299 -3.987 1.00 35.03 H new ATOM 0 HG13 VAL A 33 3.109 1.676 -3.580 1.00 35.03 H new ATOM 0 HG21 VAL A 33 2.542 3.840 -1.394 1.00 10.20 H new ATOM 0 HG22 VAL A 33 2.201 2.113 -1.133 1.00 10.20 H new ATOM 0 HG23 VAL A 33 3.256 2.993 -0.002 1.00 10.20 H new ATOM 572 N MET A 34 6.400 -0.175 -2.755 1.00 1.11 N ATOM 573 CA MET A 34 7.640 -0.504 -3.480 1.00 63.25 C ATOM 574 C MET A 34 7.829 0.410 -4.702 1.00 75.11 C ATOM 575 O MET A 34 6.863 0.942 -5.253 1.00 40.21 O ATOM 576 CB MET A 34 7.619 -1.988 -3.933 1.00 21.32 C ATOM 577 CG MET A 34 7.539 -3.039 -2.806 1.00 22.43 C ATOM 578 SD MET A 34 9.084 -3.248 -1.879 1.00 43.44 S ATOM 579 CE MET A 34 8.911 -2.063 -0.548 1.00 33.42 C ATOM 0 H MET A 34 5.702 -0.918 -2.789 1.00 1.11 H new ATOM 0 HA MET A 34 8.477 -0.345 -2.800 1.00 63.25 H new ATOM 0 HB2 MET A 34 6.767 -2.132 -4.598 1.00 21.32 H new ATOM 0 HB3 MET A 34 8.517 -2.181 -4.519 1.00 21.32 H new ATOM 0 HG2 MET A 34 6.748 -2.754 -2.113 1.00 22.43 H new ATOM 0 HG3 MET A 34 7.254 -3.998 -3.238 1.00 22.43 H new ATOM 0 HE1 MET A 34 9.872 -1.584 -0.360 1.00 33.42 H new ATOM 0 HE2 MET A 34 8.177 -1.307 -0.827 1.00 33.42 H new ATOM 0 HE3 MET A 34 8.579 -2.576 0.355 1.00 33.42 H new ATOM 589 N TRP A 35 9.093 0.556 -5.124 1.00 3.50 N ATOM 590 CA TRP A 35 9.489 1.335 -6.318 1.00 32.21 C ATOM 591 C TRP A 35 9.210 0.553 -7.616 1.00 50.10 C ATOM 592 O TRP A 35 9.356 1.094 -8.720 1.00 55.45 O ATOM 593 CB TRP A 35 10.990 1.746 -6.204 1.00 1.20 C ATOM 594 CG TRP A 35 11.928 0.616 -5.817 1.00 31.00 C ATOM 595 CD1 TRP A 35 12.620 -0.216 -6.653 1.00 13.01 C ATOM 596 CD2 TRP A 35 12.257 0.193 -4.480 1.00 70.55 C ATOM 597 NE1 TRP A 35 13.350 -1.120 -5.923 1.00 61.04 N ATOM 598 CE2 TRP A 35 13.142 -0.890 -4.590 1.00 63.30 C ATOM 599 CE3 TRP A 35 11.886 0.630 -3.199 1.00 35.34 C ATOM 600 CZ2 TRP A 35 13.663 -1.543 -3.478 1.00 25.14 C ATOM 601 CZ3 TRP A 35 12.400 -0.024 -2.097 1.00 23.24 C ATOM 602 CH2 TRP A 35 13.280 -1.100 -2.241 1.00 24.02 C ATOM 0 H TRP A 35 9.885 0.132 -4.642 1.00 3.50 H new ATOM 0 HA TRP A 35 8.885 2.241 -6.362 1.00 32.21 H new ATOM 0 HB2 TRP A 35 11.314 2.158 -7.160 1.00 1.20 H new ATOM 0 HB3 TRP A 35 11.080 2.544 -5.466 1.00 1.20 H new ATOM 0 HD1 TRP A 35 12.596 -0.168 -7.732 1.00 13.01 H new ATOM 0 HE1 TRP A 35 13.951 -1.847 -6.311 1.00 61.04 H new ATOM 0 HE3 TRP A 35 11.210 1.464 -3.077 1.00 35.34 H new ATOM 0 HZ2 TRP A 35 14.347 -2.372 -3.587 1.00 25.14 H new ATOM 0 HZ3 TRP A 35 12.117 0.302 -1.107 1.00 23.24 H new ATOM 0 HH2 TRP A 35 13.665 -1.591 -1.360 1.00 24.02 H new ATOM 613 N LYS A 36 8.811 -0.722 -7.473 1.00 60.04 N ATOM 614 CA LYS A 36 8.463 -1.588 -8.600 1.00 1.22 C ATOM 615 C LYS A 36 6.969 -1.467 -8.911 1.00 13.24 C ATOM 616 O LYS A 36 6.137 -1.400 -8.000 1.00 1.33 O ATOM 617 CB LYS A 36 8.843 -3.057 -8.286 1.00 0.03 C ATOM 618 CG LYS A 36 10.342 -3.239 -7.966 1.00 53.42 C ATOM 619 CD LYS A 36 10.743 -4.714 -7.756 1.00 21.02 C ATOM 620 CE LYS A 36 12.204 -4.864 -7.311 1.00 34.51 C ATOM 621 NZ LYS A 36 12.549 -6.280 -7.018 1.00 43.24 N ATOM 0 H LYS A 36 8.722 -1.178 -6.565 1.00 60.04 H new ATOM 0 HA LYS A 36 9.026 -1.272 -9.478 1.00 1.22 H new ATOM 0 HB2 LYS A 36 8.252 -3.406 -7.439 1.00 0.03 H new ATOM 0 HB3 LYS A 36 8.581 -3.684 -9.138 1.00 0.03 H new ATOM 0 HG2 LYS A 36 10.934 -2.820 -8.780 1.00 53.42 H new ATOM 0 HG3 LYS A 36 10.587 -2.671 -7.068 1.00 53.42 H new ATOM 0 HD2 LYS A 36 10.090 -5.162 -7.007 1.00 21.02 H new ATOM 0 HD3 LYS A 36 10.590 -5.265 -8.684 1.00 21.02 H new ATOM 0 HE2 LYS A 36 12.863 -4.483 -8.092 1.00 34.51 H new ATOM 0 HE3 LYS A 36 12.378 -4.256 -6.423 1.00 34.51 H new ATOM 0 HZ1 LYS A 36 13.544 -6.341 -6.721 1.00 43.24 H new ATOM 0 HZ2 LYS A 36 11.937 -6.636 -6.256 1.00 43.24 H new ATOM 0 HZ3 LYS A 36 12.407 -6.856 -7.872 1.00 43.24 H new ATOM 635 N TYR A 37 6.654 -1.446 -10.206 1.00 74.24 N ATOM 636 CA TYR A 37 5.291 -1.305 -10.727 1.00 31.35 C ATOM 637 C TYR A 37 5.039 -2.373 -11.795 1.00 25.34 C ATOM 638 O TYR A 37 5.984 -2.857 -12.423 1.00 42.41 O ATOM 639 CB TYR A 37 5.065 0.133 -11.280 1.00 10.01 C ATOM 640 CG TYR A 37 6.168 0.662 -12.213 1.00 41.43 C ATOM 641 CD1 TYR A 37 7.309 1.296 -11.693 1.00 73.21 C ATOM 642 CD2 TYR A 37 6.077 0.542 -13.603 1.00 54.15 C ATOM 643 CE1 TYR A 37 8.304 1.777 -12.523 1.00 22.43 C ATOM 644 CE2 TYR A 37 7.074 1.025 -14.434 1.00 71.25 C ATOM 645 CZ TYR A 37 8.180 1.640 -13.891 1.00 41.11 C ATOM 646 OH TYR A 37 9.172 2.117 -14.725 1.00 53.12 O ATOM 0 H TYR A 37 7.356 -1.529 -10.942 1.00 74.24 H new ATOM 0 HA TYR A 37 4.574 -1.455 -9.920 1.00 31.35 H new ATOM 0 HB2 TYR A 37 4.117 0.152 -11.818 1.00 10.01 H new ATOM 0 HB3 TYR A 37 4.967 0.817 -10.437 1.00 10.01 H new ATOM 0 HD1 TYR A 37 7.411 1.410 -10.624 1.00 73.21 H new ATOM 0 HD2 TYR A 37 5.212 0.063 -14.037 1.00 54.15 H new ATOM 0 HE1 TYR A 37 9.175 2.258 -12.103 1.00 22.43 H new ATOM 0 HE2 TYR A 37 6.984 0.920 -15.505 1.00 71.25 H new ATOM 0 HH TYR A 37 8.929 1.939 -15.658 1.00 53.12 H new ATOM 656 N LEU A 38 3.754 -2.710 -12.002 1.00 20.13 N ATOM 657 CA LEU A 38 3.323 -3.866 -12.821 1.00 3.05 C ATOM 658 C LEU A 38 3.805 -3.787 -14.290 1.00 34.44 C ATOM 659 O LEU A 38 3.976 -4.825 -14.950 1.00 34.42 O ATOM 660 CB LEU A 38 1.774 -4.004 -12.771 1.00 52.25 C ATOM 661 CG LEU A 38 1.177 -5.243 -13.512 1.00 12.00 C ATOM 662 CD1 LEU A 38 1.661 -6.568 -12.877 1.00 35.53 C ATOM 663 CD2 LEU A 38 -0.359 -5.168 -13.568 1.00 23.41 C ATOM 0 H LEU A 38 2.975 -2.185 -11.604 1.00 20.13 H new ATOM 0 HA LEU A 38 3.791 -4.750 -12.388 1.00 3.05 H new ATOM 0 HB2 LEU A 38 1.465 -4.046 -11.726 1.00 52.25 H new ATOM 0 HB3 LEU A 38 1.334 -3.103 -13.198 1.00 52.25 H new ATOM 0 HG LEU A 38 1.544 -5.225 -14.538 1.00 12.00 H new ATOM 0 HD11 LEU A 38 1.227 -7.410 -13.416 1.00 35.53 H new ATOM 0 HD12 LEU A 38 2.748 -6.623 -12.933 1.00 35.53 H new ATOM 0 HD13 LEU A 38 1.349 -6.606 -11.833 1.00 35.53 H new ATOM 0 HD21 LEU A 38 -0.747 -6.043 -14.089 1.00 23.41 H new ATOM 0 HD22 LEU A 38 -0.759 -5.142 -12.554 1.00 23.41 H new ATOM 0 HD23 LEU A 38 -0.660 -4.266 -14.100 1.00 23.41 H new ATOM 675 N GLU A 39 4.043 -2.556 -14.782 1.00 15.11 N ATOM 676 CA GLU A 39 4.436 -2.315 -16.182 1.00 52.31 C ATOM 677 C GLU A 39 5.864 -2.853 -16.488 1.00 54.21 C ATOM 678 O GLU A 39 6.228 -3.021 -17.658 1.00 24.11 O ATOM 679 CB GLU A 39 4.316 -0.798 -16.514 1.00 41.02 C ATOM 680 CG GLU A 39 4.328 -0.450 -18.022 1.00 3.02 C ATOM 681 CD GLU A 39 3.137 -1.058 -18.798 1.00 11.41 C ATOM 682 OE1 GLU A 39 3.239 -2.204 -19.280 1.00 21.24 O ATOM 683 OE2 GLU A 39 2.086 -0.398 -18.920 1.00 33.24 O ATOM 0 H GLU A 39 3.969 -1.706 -14.223 1.00 15.11 H new ATOM 0 HA GLU A 39 3.752 -2.869 -16.825 1.00 52.31 H new ATOM 0 HB2 GLU A 39 3.392 -0.419 -16.077 1.00 41.02 H new ATOM 0 HB3 GLU A 39 5.137 -0.270 -16.029 1.00 41.02 H new ATOM 0 HG2 GLU A 39 4.313 0.634 -18.138 1.00 3.02 H new ATOM 0 HG3 GLU A 39 5.260 -0.805 -18.463 1.00 3.02 H new ATOM 690 N GLN A 40 6.652 -3.138 -15.431 1.00 31.11 N ATOM 691 CA GLN A 40 8.002 -3.738 -15.557 1.00 20.31 C ATOM 692 C GLN A 40 7.922 -5.197 -16.074 1.00 35.03 C ATOM 693 O GLN A 40 6.996 -5.934 -15.721 1.00 15.10 O ATOM 694 CB GLN A 40 8.724 -3.735 -14.184 1.00 33.43 C ATOM 695 CG GLN A 40 8.939 -2.339 -13.565 1.00 33.12 C ATOM 696 CD GLN A 40 9.612 -2.391 -12.192 1.00 13.33 C ATOM 697 OE1 GLN A 40 9.456 -3.359 -11.449 1.00 12.14 O ATOM 698 NE2 GLN A 40 10.337 -1.348 -11.826 1.00 33.15 N ATOM 0 H GLN A 40 6.373 -2.960 -14.466 1.00 31.11 H new ATOM 0 HA GLN A 40 8.561 -3.136 -16.273 1.00 20.31 H new ATOM 0 HB2 GLN A 40 8.147 -4.341 -13.485 1.00 33.43 H new ATOM 0 HB3 GLN A 40 9.694 -4.218 -14.299 1.00 33.43 H new ATOM 0 HG2 GLN A 40 9.549 -1.738 -14.240 1.00 33.12 H new ATOM 0 HG3 GLN A 40 7.976 -1.836 -13.473 1.00 33.12 H new ATOM 0 HE21 GLN A 40 10.451 -0.558 -12.461 1.00 33.15 H new ATOM 0 HE22 GLN A 40 10.783 -1.333 -10.909 1.00 33.15 H new ATOM 707 N ALA A 41 8.918 -5.590 -16.885 1.00 1.42 N ATOM 708 CA ALA A 41 9.089 -6.975 -17.389 1.00 62.34 C ATOM 709 C ALA A 41 9.860 -7.836 -16.366 1.00 33.43 C ATOM 710 O ALA A 41 9.848 -9.072 -16.434 1.00 72.20 O ATOM 711 CB ALA A 41 9.817 -6.948 -18.747 1.00 73.51 C ATOM 0 H ALA A 41 9.640 -4.951 -17.217 1.00 1.42 H new ATOM 0 HA ALA A 41 8.106 -7.426 -17.528 1.00 62.34 H new ATOM 0 HB1 ALA A 41 9.941 -7.967 -19.114 1.00 73.51 H new ATOM 0 HB2 ALA A 41 9.230 -6.373 -19.463 1.00 73.51 H new ATOM 0 HB3 ALA A 41 10.796 -6.485 -18.626 1.00 73.51 H new ATOM 717 N SER A 42 10.530 -7.155 -15.421 1.00 23.32 N ATOM 718 CA SER A 42 11.283 -7.786 -14.325 1.00 62.35 C ATOM 719 C SER A 42 10.422 -7.909 -13.047 1.00 72.52 C ATOM 720 O SER A 42 10.917 -8.355 -12.006 1.00 5.11 O ATOM 721 CB SER A 42 12.561 -6.951 -14.054 1.00 24.22 C ATOM 722 OG SER A 42 13.373 -7.534 -13.048 1.00 21.00 O ATOM 0 H SER A 42 10.564 -6.136 -15.397 1.00 23.32 H new ATOM 0 HA SER A 42 11.562 -8.798 -14.618 1.00 62.35 H new ATOM 0 HB2 SER A 42 13.136 -6.859 -14.975 1.00 24.22 H new ATOM 0 HB3 SER A 42 12.278 -5.943 -13.752 1.00 24.22 H new ATOM 0 HG SER A 42 12.805 -7.986 -12.390 1.00 21.00 H new ATOM 728 N PHE A 43 9.129 -7.547 -13.139 1.00 12.41 N ATOM 729 CA PHE A 43 8.212 -7.526 -11.990 1.00 24.30 C ATOM 730 C PHE A 43 7.987 -8.973 -11.453 1.00 65.21 C ATOM 731 O PHE A 43 7.562 -9.848 -12.218 1.00 43.42 O ATOM 732 CB PHE A 43 6.875 -6.861 -12.408 1.00 12.14 C ATOM 733 CG PHE A 43 5.999 -6.452 -11.236 1.00 42.30 C ATOM 734 CD1 PHE A 43 6.382 -5.395 -10.413 1.00 71.31 C ATOM 735 CD2 PHE A 43 4.811 -7.120 -10.942 1.00 10.30 C ATOM 736 CE1 PHE A 43 5.602 -5.014 -9.347 1.00 62.22 C ATOM 737 CE2 PHE A 43 4.033 -6.733 -9.871 1.00 73.21 C ATOM 738 CZ PHE A 43 4.433 -5.682 -9.072 1.00 20.24 C ATOM 0 H PHE A 43 8.692 -7.261 -14.015 1.00 12.41 H new ATOM 0 HA PHE A 43 8.649 -6.939 -11.182 1.00 24.30 H new ATOM 0 HB2 PHE A 43 7.092 -5.980 -13.012 1.00 12.14 H new ATOM 0 HB3 PHE A 43 6.319 -7.552 -13.041 1.00 12.14 H new ATOM 0 HD1 PHE A 43 7.303 -4.868 -10.615 1.00 71.31 H new ATOM 0 HD2 PHE A 43 4.497 -7.949 -11.559 1.00 10.30 H new ATOM 0 HE1 PHE A 43 5.909 -4.187 -8.724 1.00 62.22 H new ATOM 0 HE2 PHE A 43 3.111 -7.253 -9.658 1.00 73.21 H new ATOM 0 HZ PHE A 43 3.827 -5.384 -8.229 1.00 20.24 H new ATOM 748 N PRO A 44 8.262 -9.243 -10.130 1.00 22.51 N ATOM 749 CA PRO A 44 8.356 -10.631 -9.582 1.00 72.22 C ATOM 750 C PRO A 44 6.999 -11.342 -9.365 1.00 43.32 C ATOM 751 O PRO A 44 6.961 -12.447 -8.810 1.00 50.44 O ATOM 752 CB PRO A 44 9.095 -10.405 -8.242 1.00 11.30 C ATOM 753 CG PRO A 44 8.620 -9.058 -7.792 1.00 33.53 C ATOM 754 CD PRO A 44 8.499 -8.229 -9.056 1.00 51.04 C ATOM 0 HA PRO A 44 8.859 -11.301 -10.279 1.00 72.22 H new ATOM 0 HB2 PRO A 44 8.849 -11.179 -7.515 1.00 11.30 H new ATOM 0 HB3 PRO A 44 10.177 -10.424 -8.374 1.00 11.30 H new ATOM 0 HG2 PRO A 44 7.662 -9.131 -7.277 1.00 33.53 H new ATOM 0 HG3 PRO A 44 9.324 -8.607 -7.093 1.00 33.53 H new ATOM 0 HD2 PRO A 44 7.676 -7.517 -8.990 1.00 51.04 H new ATOM 0 HD3 PRO A 44 9.405 -7.652 -9.244 1.00 51.04 H new ATOM 762 N MET A 45 5.898 -10.702 -9.782 1.00 4.53 N ATOM 763 CA MET A 45 4.543 -11.284 -9.727 1.00 71.34 C ATOM 764 C MET A 45 3.870 -11.143 -11.094 1.00 44.54 C ATOM 765 O MET A 45 4.180 -10.218 -11.862 1.00 35.32 O ATOM 766 CB MET A 45 3.668 -10.584 -8.644 1.00 25.23 C ATOM 767 CG MET A 45 4.099 -10.820 -7.193 1.00 40.03 C ATOM 768 SD MET A 45 3.036 -9.965 -6.004 1.00 14.21 S ATOM 769 CE MET A 45 3.280 -8.245 -6.459 1.00 22.34 C ATOM 0 H MET A 45 5.919 -9.759 -10.170 1.00 4.53 H new ATOM 0 HA MET A 45 4.637 -12.337 -9.462 1.00 71.34 H new ATOM 0 HB2 MET A 45 3.673 -9.511 -8.836 1.00 25.23 H new ATOM 0 HB3 MET A 45 2.639 -10.924 -8.759 1.00 25.23 H new ATOM 0 HG2 MET A 45 4.086 -11.890 -6.983 1.00 40.03 H new ATOM 0 HG3 MET A 45 5.127 -10.483 -7.064 1.00 40.03 H new ATOM 0 HE1 MET A 45 2.909 -7.601 -5.661 1.00 22.34 H new ATOM 0 HE2 MET A 45 4.343 -8.056 -6.613 1.00 22.34 H new ATOM 0 HE3 MET A 45 2.737 -8.032 -7.380 1.00 22.34 H new ATOM 779 N ASN A 46 2.950 -12.073 -11.391 1.00 34.34 N ATOM 780 CA ASN A 46 2.038 -11.950 -12.536 1.00 34.41 C ATOM 781 C ASN A 46 1.003 -10.860 -12.230 1.00 73.40 C ATOM 782 O ASN A 46 0.857 -10.450 -11.071 1.00 24.34 O ATOM 783 CB ASN A 46 1.329 -13.296 -12.831 1.00 71.31 C ATOM 784 CG ASN A 46 2.286 -14.440 -13.180 1.00 12.11 C ATOM 785 OD1 ASN A 46 3.354 -14.236 -13.759 1.00 4.41 O ATOM 786 ND2 ASN A 46 1.903 -15.662 -12.833 1.00 62.31 N ATOM 0 H ASN A 46 2.818 -12.926 -10.848 1.00 34.34 H new ATOM 0 HA ASN A 46 2.612 -11.679 -13.422 1.00 34.41 H new ATOM 0 HB2 ASN A 46 0.739 -13.582 -11.961 1.00 71.31 H new ATOM 0 HB3 ASN A 46 0.632 -13.154 -13.657 1.00 71.31 H new ATOM 0 HD21 ASN A 46 2.499 -16.463 -13.045 1.00 62.31 H new ATOM 0 HD22 ASN A 46 1.013 -15.801 -12.354 1.00 62.31 H new ATOM 793 N GLU A 47 0.273 -10.413 -13.261 1.00 3.45 N ATOM 794 CA GLU A 47 -0.748 -9.360 -13.120 1.00 63.03 C ATOM 795 C GLU A 47 -1.851 -9.787 -12.128 1.00 13.54 C ATOM 796 O GLU A 47 -2.262 -9.003 -11.273 1.00 14.12 O ATOM 797 CB GLU A 47 -1.345 -9.001 -14.507 1.00 35.14 C ATOM 798 CG GLU A 47 -0.298 -8.529 -15.542 1.00 42.43 C ATOM 799 CD GLU A 47 -0.883 -8.262 -16.937 1.00 64.21 C ATOM 800 OE1 GLU A 47 -1.606 -7.262 -17.106 1.00 60.15 O ATOM 801 OE2 GLU A 47 -0.626 -9.052 -17.872 1.00 22.30 O ATOM 0 H GLU A 47 0.371 -10.767 -14.212 1.00 3.45 H new ATOM 0 HA GLU A 47 -0.271 -8.468 -12.713 1.00 63.03 H new ATOM 0 HB2 GLU A 47 -1.865 -9.873 -14.904 1.00 35.14 H new ATOM 0 HB3 GLU A 47 -2.091 -8.217 -14.378 1.00 35.14 H new ATOM 0 HG2 GLU A 47 0.176 -7.618 -15.176 1.00 42.43 H new ATOM 0 HG3 GLU A 47 0.484 -9.284 -15.624 1.00 42.43 H new ATOM 808 N THR A 48 -2.277 -11.061 -12.229 1.00 74.31 N ATOM 809 CA THR A 48 -3.290 -11.643 -11.339 1.00 65.32 C ATOM 810 C THR A 48 -2.774 -11.670 -9.880 1.00 73.02 C ATOM 811 O THR A 48 -3.468 -11.224 -8.974 1.00 74.24 O ATOM 812 CB THR A 48 -3.679 -13.092 -11.800 1.00 75.20 C ATOM 813 OG1 THR A 48 -3.926 -13.106 -13.221 1.00 23.14 O ATOM 814 CG2 THR A 48 -4.925 -13.620 -11.058 1.00 42.35 C ATOM 0 H THR A 48 -1.926 -11.712 -12.931 1.00 74.31 H new ATOM 0 HA THR A 48 -4.181 -11.017 -11.388 1.00 65.32 H new ATOM 0 HB THR A 48 -2.842 -13.747 -11.559 1.00 75.20 H new ATOM 0 HG1 THR A 48 -4.167 -14.013 -13.502 1.00 23.14 H new ATOM 0 HG21 THR A 48 -5.158 -14.626 -11.408 1.00 42.35 H new ATOM 0 HG22 THR A 48 -4.727 -13.646 -9.987 1.00 42.35 H new ATOM 0 HG23 THR A 48 -5.771 -12.962 -11.254 1.00 42.35 H new ATOM 822 N GLU A 49 -1.516 -12.133 -9.697 1.00 15.04 N ATOM 823 CA GLU A 49 -0.885 -12.263 -8.359 1.00 71.42 C ATOM 824 C GLU A 49 -0.740 -10.892 -7.684 1.00 72.02 C ATOM 825 O GLU A 49 -0.936 -10.755 -6.474 1.00 52.23 O ATOM 826 CB GLU A 49 0.508 -12.933 -8.464 1.00 0.11 C ATOM 827 CG GLU A 49 0.523 -14.258 -9.244 1.00 1.22 C ATOM 828 CD GLU A 49 -0.511 -15.285 -8.758 1.00 12.43 C ATOM 829 OE1 GLU A 49 -0.358 -15.819 -7.642 1.00 21.14 O ATOM 830 OE2 GLU A 49 -1.470 -15.582 -9.508 1.00 53.34 O ATOM 0 H GLU A 49 -0.912 -12.426 -10.465 1.00 15.04 H new ATOM 0 HA GLU A 49 -1.537 -12.892 -7.752 1.00 71.42 H new ATOM 0 HB2 GLU A 49 1.196 -12.237 -8.943 1.00 0.11 H new ATOM 0 HB3 GLU A 49 0.886 -13.114 -7.458 1.00 0.11 H new ATOM 0 HG2 GLU A 49 0.343 -14.048 -10.298 1.00 1.22 H new ATOM 0 HG3 GLU A 49 1.518 -14.698 -9.172 1.00 1.22 H new ATOM 837 N TYR A 50 -0.394 -9.894 -8.507 1.00 40.13 N ATOM 838 CA TYR A 50 -0.251 -8.495 -8.097 1.00 1.11 C ATOM 839 C TYR A 50 -1.596 -7.928 -7.589 1.00 51.24 C ATOM 840 O TYR A 50 -1.665 -7.357 -6.494 1.00 12.33 O ATOM 841 CB TYR A 50 0.298 -7.663 -9.305 1.00 22.14 C ATOM 842 CG TYR A 50 0.106 -6.153 -9.166 1.00 0.30 C ATOM 843 CD1 TYR A 50 0.824 -5.427 -8.222 1.00 72.21 C ATOM 844 CD2 TYR A 50 -0.839 -5.465 -9.940 1.00 54.33 C ATOM 845 CE1 TYR A 50 0.600 -4.085 -8.045 1.00 5.24 C ATOM 846 CE2 TYR A 50 -1.048 -4.116 -9.777 1.00 51.51 C ATOM 847 CZ TYR A 50 -0.332 -3.434 -8.823 1.00 42.30 C ATOM 848 OH TYR A 50 -0.590 -2.098 -8.607 1.00 35.22 O ATOM 0 H TYR A 50 -0.202 -10.042 -9.498 1.00 40.13 H new ATOM 0 HA TYR A 50 0.456 -8.430 -7.270 1.00 1.11 H new ATOM 0 HB2 TYR A 50 1.361 -7.873 -9.423 1.00 22.14 H new ATOM 0 HB3 TYR A 50 -0.196 -7.998 -10.217 1.00 22.14 H new ATOM 0 HD1 TYR A 50 1.568 -5.927 -7.620 1.00 72.21 H new ATOM 0 HD2 TYR A 50 -1.414 -6.005 -10.678 1.00 54.33 H new ATOM 0 HE1 TYR A 50 1.154 -3.539 -7.296 1.00 5.24 H new ATOM 0 HE2 TYR A 50 -1.768 -3.597 -10.393 1.00 51.51 H new ATOM 0 HH TYR A 50 0.020 -1.753 -7.922 1.00 35.22 H new ATOM 858 N GLN A 51 -2.643 -8.114 -8.402 1.00 0.41 N ATOM 859 CA GLN A 51 -3.978 -7.529 -8.173 1.00 0.14 C ATOM 860 C GLN A 51 -4.674 -8.181 -6.957 1.00 11.35 C ATOM 861 O GLN A 51 -5.331 -7.498 -6.158 1.00 3.12 O ATOM 862 CB GLN A 51 -4.820 -7.679 -9.471 1.00 5.41 C ATOM 863 CG GLN A 51 -6.202 -6.993 -9.451 1.00 12.10 C ATOM 864 CD GLN A 51 -6.162 -5.469 -9.266 1.00 60.30 C ATOM 865 OE1 GLN A 51 -5.227 -4.792 -9.698 1.00 34.43 O ATOM 866 NE2 GLN A 51 -7.187 -4.917 -8.631 1.00 62.42 N ATOM 0 H GLN A 51 -2.591 -8.681 -9.248 1.00 0.41 H new ATOM 0 HA GLN A 51 -3.877 -6.470 -7.937 1.00 0.14 H new ATOM 0 HB2 GLN A 51 -4.245 -7.275 -10.304 1.00 5.41 H new ATOM 0 HB3 GLN A 51 -4.964 -8.741 -9.669 1.00 5.41 H new ATOM 0 HG2 GLN A 51 -6.717 -7.218 -10.385 1.00 12.10 H new ATOM 0 HG3 GLN A 51 -6.796 -7.427 -8.647 1.00 12.10 H new ATOM 0 HE21 GLN A 51 -7.947 -5.502 -8.284 1.00 62.42 H new ATOM 0 HE22 GLN A 51 -7.215 -3.907 -8.489 1.00 62.42 H new ATOM 875 N GLU A 52 -4.480 -9.504 -6.808 1.00 21.13 N ATOM 876 CA GLU A 52 -4.977 -10.269 -5.651 1.00 22.40 C ATOM 877 C GLU A 52 -4.208 -9.902 -4.371 1.00 22.33 C ATOM 878 O GLU A 52 -4.767 -9.949 -3.270 1.00 20.04 O ATOM 879 CB GLU A 52 -4.871 -11.791 -5.924 1.00 62.22 C ATOM 880 CG GLU A 52 -5.772 -12.306 -7.064 1.00 53.43 C ATOM 881 CD GLU A 52 -7.271 -12.088 -6.798 1.00 42.01 C ATOM 882 OE1 GLU A 52 -7.867 -12.885 -6.051 1.00 11.31 O ATOM 883 OE2 GLU A 52 -7.864 -11.126 -7.332 1.00 42.22 O ATOM 0 H GLU A 52 -3.974 -10.073 -7.487 1.00 21.13 H new ATOM 0 HA GLU A 52 -6.025 -10.010 -5.502 1.00 22.40 H new ATOM 0 HB2 GLU A 52 -3.835 -12.032 -6.161 1.00 62.22 H new ATOM 0 HB3 GLU A 52 -5.122 -12.329 -5.010 1.00 62.22 H new ATOM 0 HG2 GLU A 52 -5.497 -11.803 -7.991 1.00 53.43 H new ATOM 0 HG3 GLU A 52 -5.587 -13.370 -7.212 1.00 53.43 H new ATOM 890 N HIS A 53 -2.918 -9.536 -4.530 1.00 4.51 N ATOM 891 CA HIS A 53 -2.085 -9.065 -3.412 1.00 10.10 C ATOM 892 C HIS A 53 -2.576 -7.697 -2.923 1.00 21.03 C ATOM 893 O HIS A 53 -2.578 -7.441 -1.724 1.00 54.42 O ATOM 894 CB HIS A 53 -0.584 -8.993 -3.802 1.00 74.44 C ATOM 895 CG HIS A 53 0.309 -8.554 -2.672 1.00 23.21 C ATOM 896 ND1 HIS A 53 0.597 -9.358 -1.593 1.00 35.30 N ATOM 897 CD2 HIS A 53 0.951 -7.386 -2.438 1.00 52.32 C ATOM 898 CE1 HIS A 53 1.368 -8.707 -0.750 1.00 65.14 C ATOM 899 NE2 HIS A 53 1.606 -7.512 -1.238 1.00 40.41 N ATOM 0 H HIS A 53 -2.433 -9.559 -5.427 1.00 4.51 H new ATOM 0 HA HIS A 53 -2.179 -9.789 -2.602 1.00 10.10 H new ATOM 0 HB2 HIS A 53 -0.260 -9.973 -4.151 1.00 74.44 H new ATOM 0 HB3 HIS A 53 -0.466 -8.302 -4.637 1.00 74.44 H new ATOM 0 HD2 HIS A 53 0.949 -6.515 -3.077 1.00 52.32 H new ATOM 0 HE1 HIS A 53 1.743 -9.091 0.187 1.00 65.14 H new ATOM 0 HE2 HIS A 53 2.183 -6.795 -0.798 1.00 40.41 H new ATOM 908 N LEU A 54 -3.001 -6.835 -3.870 1.00 24.25 N ATOM 909 CA LEU A 54 -3.567 -5.509 -3.547 1.00 14.41 C ATOM 910 C LEU A 54 -4.861 -5.654 -2.742 1.00 42.11 C ATOM 911 O LEU A 54 -5.102 -4.907 -1.803 1.00 24.01 O ATOM 912 CB LEU A 54 -3.881 -4.693 -4.824 1.00 72.35 C ATOM 913 CG LEU A 54 -2.686 -4.272 -5.716 1.00 74.50 C ATOM 914 CD1 LEU A 54 -3.209 -3.472 -6.919 1.00 62.41 C ATOM 915 CD2 LEU A 54 -1.627 -3.472 -4.921 1.00 33.24 C ATOM 0 H LEU A 54 -2.962 -7.035 -4.869 1.00 24.25 H new ATOM 0 HA LEU A 54 -2.814 -4.983 -2.961 1.00 14.41 H new ATOM 0 HB2 LEU A 54 -4.568 -5.277 -5.436 1.00 72.35 H new ATOM 0 HB3 LEU A 54 -4.411 -3.789 -4.524 1.00 72.35 H new ATOM 0 HG LEU A 54 -2.185 -5.171 -6.076 1.00 74.50 H new ATOM 0 HD11 LEU A 54 -2.371 -3.174 -7.549 1.00 62.41 H new ATOM 0 HD12 LEU A 54 -3.896 -4.091 -7.497 1.00 62.41 H new ATOM 0 HD13 LEU A 54 -3.732 -2.583 -6.565 1.00 62.41 H new ATOM 0 HD21 LEU A 54 -0.806 -3.196 -5.583 1.00 33.24 H new ATOM 0 HD22 LEU A 54 -2.083 -2.570 -4.513 1.00 33.24 H new ATOM 0 HD23 LEU A 54 -1.244 -4.085 -4.105 1.00 33.24 H new ATOM 927 N ASP A 55 -5.691 -6.627 -3.153 1.00 62.32 N ATOM 928 CA ASP A 55 -6.993 -6.891 -2.522 1.00 25.43 C ATOM 929 C ASP A 55 -6.803 -7.555 -1.150 1.00 64.34 C ATOM 930 O ASP A 55 -7.593 -7.335 -0.235 1.00 73.01 O ATOM 931 CB ASP A 55 -7.884 -7.756 -3.454 1.00 44.01 C ATOM 932 CG ASP A 55 -9.345 -7.816 -2.966 1.00 42.43 C ATOM 933 OD1 ASP A 55 -10.066 -6.803 -3.113 1.00 61.12 O ATOM 934 OD2 ASP A 55 -9.782 -8.859 -2.435 1.00 0.15 O ATOM 0 H ASP A 55 -5.478 -7.251 -3.931 1.00 62.32 H new ATOM 0 HA ASP A 55 -7.503 -5.941 -2.362 1.00 25.43 H new ATOM 0 HB2 ASP A 55 -7.856 -7.347 -4.464 1.00 44.01 H new ATOM 0 HB3 ASP A 55 -7.478 -8.766 -3.508 1.00 44.01 H new ATOM 939 N SER A 56 -5.730 -8.356 -1.027 1.00 44.05 N ATOM 940 CA SER A 56 -5.317 -8.987 0.243 1.00 30.20 C ATOM 941 C SER A 56 -4.807 -7.929 1.244 1.00 21.03 C ATOM 942 O SER A 56 -5.070 -8.018 2.456 1.00 72.52 O ATOM 943 CB SER A 56 -4.234 -10.053 -0.036 1.00 61.32 C ATOM 944 OG SER A 56 -3.818 -10.695 1.148 1.00 0.12 O ATOM 0 H SER A 56 -5.119 -8.587 -1.811 1.00 44.05 H new ATOM 0 HA SER A 56 -6.182 -9.473 0.694 1.00 30.20 H new ATOM 0 HB2 SER A 56 -4.624 -10.794 -0.734 1.00 61.32 H new ATOM 0 HB3 SER A 56 -3.376 -9.583 -0.516 1.00 61.32 H new ATOM 0 HG SER A 56 -3.134 -11.364 0.935 1.00 0.12 H new ATOM 950 N VAL A 57 -4.098 -6.914 0.710 1.00 62.42 N ATOM 951 CA VAL A 57 -3.636 -5.755 1.489 1.00 41.21 C ATOM 952 C VAL A 57 -4.846 -4.929 1.950 1.00 11.20 C ATOM 953 O VAL A 57 -4.993 -4.634 3.136 1.00 75.44 O ATOM 954 CB VAL A 57 -2.621 -4.854 0.668 1.00 4.21 C ATOM 955 CG1 VAL A 57 -2.405 -3.471 1.329 1.00 13.44 C ATOM 956 CG2 VAL A 57 -1.262 -5.578 0.479 1.00 0.34 C ATOM 0 H VAL A 57 -3.831 -6.878 -0.274 1.00 62.42 H new ATOM 0 HA VAL A 57 -3.097 -6.126 2.361 1.00 41.21 H new ATOM 0 HB VAL A 57 -3.068 -4.686 -0.312 1.00 4.21 H new ATOM 0 HG11 VAL A 57 -1.703 -2.888 0.733 1.00 13.44 H new ATOM 0 HG12 VAL A 57 -3.357 -2.943 1.387 1.00 13.44 H new ATOM 0 HG13 VAL A 57 -2.003 -3.606 2.333 1.00 13.44 H new ATOM 0 HG21 VAL A 57 -0.585 -4.938 -0.087 1.00 0.34 H new ATOM 0 HG22 VAL A 57 -0.826 -5.795 1.454 1.00 0.34 H new ATOM 0 HG23 VAL A 57 -1.419 -6.510 -0.063 1.00 0.34 H new ATOM 966 N ALA A 58 -5.732 -4.637 0.992 1.00 63.33 N ATOM 967 CA ALA A 58 -6.953 -3.850 1.203 1.00 73.32 C ATOM 968 C ALA A 58 -7.929 -4.553 2.178 1.00 62.14 C ATOM 969 O ALA A 58 -8.706 -3.898 2.878 1.00 23.10 O ATOM 970 CB ALA A 58 -7.612 -3.597 -0.155 1.00 64.32 C ATOM 0 H ALA A 58 -5.618 -4.948 0.027 1.00 63.33 H new ATOM 0 HA ALA A 58 -6.689 -2.899 1.666 1.00 73.32 H new ATOM 0 HB1 ALA A 58 -8.521 -3.013 -0.015 1.00 64.32 H new ATOM 0 HB2 ALA A 58 -6.923 -3.048 -0.797 1.00 64.32 H new ATOM 0 HB3 ALA A 58 -7.861 -4.550 -0.622 1.00 64.32 H new ATOM 976 N ASN A 59 -7.848 -5.897 2.221 1.00 43.13 N ATOM 977 CA ASN A 59 -8.627 -6.740 3.152 1.00 70.41 C ATOM 978 C ASN A 59 -8.135 -6.517 4.599 1.00 53.23 C ATOM 979 O ASN A 59 -8.941 -6.381 5.522 1.00 41.11 O ATOM 980 CB ASN A 59 -8.507 -8.236 2.743 1.00 74.21 C ATOM 981 CG ASN A 59 -9.403 -9.190 3.542 1.00 51.52 C ATOM 982 OD1 ASN A 59 -10.496 -8.826 3.982 1.00 23.00 O ATOM 983 ND2 ASN A 59 -8.949 -10.421 3.727 1.00 24.45 N ATOM 0 H ASN A 59 -7.236 -6.433 1.606 1.00 43.13 H new ATOM 0 HA ASN A 59 -9.679 -6.459 3.102 1.00 70.41 H new ATOM 0 HB2 ASN A 59 -8.751 -8.330 1.685 1.00 74.21 H new ATOM 0 HB3 ASN A 59 -7.470 -8.549 2.860 1.00 74.21 H new ATOM 0 HD21 ASN A 59 -9.508 -11.098 4.246 1.00 24.45 H new ATOM 0 HD22 ASN A 59 -8.041 -10.691 3.350 1.00 24.45 H new ATOM 990 N TYR A 60 -6.800 -6.440 4.773 1.00 41.34 N ATOM 991 CA TYR A 60 -6.181 -6.124 6.084 1.00 70.13 C ATOM 992 C TYR A 60 -6.457 -4.672 6.497 1.00 24.53 C ATOM 993 O TYR A 60 -6.670 -4.401 7.665 1.00 12.35 O ATOM 994 CB TYR A 60 -4.647 -6.382 6.078 1.00 3.35 C ATOM 995 CG TYR A 60 -4.245 -7.825 6.383 1.00 44.14 C ATOM 996 CD1 TYR A 60 -4.553 -8.388 7.620 1.00 14.54 C ATOM 997 CD2 TYR A 60 -3.554 -8.612 5.461 1.00 63.14 C ATOM 998 CE1 TYR A 60 -4.187 -9.677 7.929 1.00 32.41 C ATOM 999 CE2 TYR A 60 -3.185 -9.912 5.766 1.00 63.15 C ATOM 1000 CZ TYR A 60 -3.508 -10.440 7.001 1.00 50.42 C ATOM 1001 OH TYR A 60 -3.153 -11.738 7.314 1.00 53.23 O ATOM 0 H TYR A 60 -6.126 -6.592 4.023 1.00 41.34 H new ATOM 0 HA TYR A 60 -6.640 -6.793 6.813 1.00 70.13 H new ATOM 0 HB2 TYR A 60 -4.249 -6.106 5.102 1.00 3.35 H new ATOM 0 HB3 TYR A 60 -4.178 -5.725 6.811 1.00 3.35 H new ATOM 0 HD1 TYR A 60 -5.090 -7.800 8.350 1.00 14.54 H new ATOM 0 HD2 TYR A 60 -3.303 -8.201 4.494 1.00 63.14 H new ATOM 0 HE1 TYR A 60 -4.430 -10.091 8.896 1.00 32.41 H new ATOM 0 HE2 TYR A 60 -2.648 -10.509 5.043 1.00 63.15 H new ATOM 0 HH TYR A 60 -2.682 -12.141 6.555 1.00 53.23 H new ATOM 1011 N LEU A 61 -6.470 -3.756 5.520 1.00 62.30 N ATOM 1012 CA LEU A 61 -6.723 -2.317 5.759 1.00 32.10 C ATOM 1013 C LEU A 61 -8.146 -2.071 6.323 1.00 40.44 C ATOM 1014 O LEU A 61 -8.403 -1.041 6.952 1.00 34.30 O ATOM 1015 CB LEU A 61 -6.497 -1.518 4.446 1.00 44.33 C ATOM 1016 CG LEU A 61 -5.033 -1.492 3.901 1.00 35.15 C ATOM 1017 CD1 LEU A 61 -4.936 -0.716 2.568 1.00 10.31 C ATOM 1018 CD2 LEU A 61 -4.059 -0.926 4.955 1.00 40.40 C ATOM 0 H LEU A 61 -6.306 -3.985 4.540 1.00 62.30 H new ATOM 0 HA LEU A 61 -6.018 -1.966 6.513 1.00 32.10 H new ATOM 0 HB2 LEU A 61 -7.143 -1.936 3.674 1.00 44.33 H new ATOM 0 HB3 LEU A 61 -6.820 -0.490 4.610 1.00 44.33 H new ATOM 0 HG LEU A 61 -4.740 -2.522 3.696 1.00 35.15 H new ATOM 0 HD11 LEU A 61 -3.903 -0.719 2.220 1.00 10.31 H new ATOM 0 HD12 LEU A 61 -5.572 -1.193 1.822 1.00 10.31 H new ATOM 0 HD13 LEU A 61 -5.264 0.312 2.721 1.00 10.31 H new ATOM 0 HD21 LEU A 61 -3.047 -0.919 4.549 1.00 40.40 H new ATOM 0 HD22 LEU A 61 -4.353 0.091 5.213 1.00 40.40 H new ATOM 0 HD23 LEU A 61 -4.087 -1.550 5.849 1.00 40.40 H new ATOM 1030 N HIS A 62 -9.047 -3.042 6.085 1.00 73.43 N ATOM 1031 CA HIS A 62 -10.409 -3.063 6.649 1.00 20.43 C ATOM 1032 C HIS A 62 -10.361 -3.478 8.132 1.00 64.30 C ATOM 1033 O HIS A 62 -10.849 -2.751 9.003 1.00 62.42 O ATOM 1034 CB HIS A 62 -11.279 -4.047 5.819 1.00 42.22 C ATOM 1035 CG HIS A 62 -12.723 -4.176 6.242 1.00 43.55 C ATOM 1036 ND1 HIS A 62 -13.740 -3.444 5.677 1.00 55.32 N ATOM 1037 CD2 HIS A 62 -13.318 -4.994 7.146 1.00 25.24 C ATOM 1038 CE1 HIS A 62 -14.891 -3.801 6.215 1.00 74.32 C ATOM 1039 NE2 HIS A 62 -14.664 -4.740 7.110 1.00 23.33 N ATOM 0 H HIS A 62 -8.847 -3.844 5.488 1.00 73.43 H new ATOM 0 HA HIS A 62 -10.851 -2.068 6.598 1.00 20.43 H new ATOM 0 HB2 HIS A 62 -11.254 -3.731 4.776 1.00 42.22 H new ATOM 0 HB3 HIS A 62 -10.819 -5.034 5.864 1.00 42.22 H new ATOM 0 HD2 HIS A 62 -12.821 -5.714 7.779 1.00 25.24 H new ATOM 0 HE1 HIS A 62 -15.858 -3.391 5.963 1.00 74.32 H new ATOM 0 HE2 HIS A 62 -15.372 -5.201 7.681 1.00 23.33 H new ATOM 1048 N ALA A 63 -9.728 -4.641 8.390 1.00 35.22 N ATOM 1049 CA ALA A 63 -9.648 -5.251 9.733 1.00 24.03 C ATOM 1050 C ALA A 63 -8.879 -4.355 10.718 1.00 22.12 C ATOM 1051 O ALA A 63 -9.356 -4.060 11.810 1.00 15.14 O ATOM 1052 CB ALA A 63 -8.973 -6.625 9.636 1.00 25.20 C ATOM 0 H ALA A 63 -9.256 -5.186 7.669 1.00 35.22 H new ATOM 0 HA ALA A 63 -10.663 -5.365 10.113 1.00 24.03 H new ATOM 0 HB1 ALA A 63 -8.915 -7.073 10.628 1.00 25.20 H new ATOM 0 HB2 ALA A 63 -9.556 -7.271 8.980 1.00 25.20 H new ATOM 0 HB3 ALA A 63 -7.968 -6.509 9.231 1.00 25.20 H new ATOM 1058 N LEU A 64 -7.690 -3.924 10.290 1.00 13.24 N ATOM 1059 CA LEU A 64 -6.789 -3.067 11.076 1.00 44.23 C ATOM 1060 C LEU A 64 -7.352 -1.632 11.209 1.00 63.35 C ATOM 1061 O LEU A 64 -7.106 -0.947 12.213 1.00 4.13 O ATOM 1062 CB LEU A 64 -5.394 -3.029 10.382 1.00 73.43 C ATOM 1063 CG LEU A 64 -4.649 -4.399 10.210 1.00 2.42 C ATOM 1064 CD1 LEU A 64 -3.348 -4.231 9.385 1.00 1.11 C ATOM 1065 CD2 LEU A 64 -4.366 -5.064 11.575 1.00 32.40 C ATOM 0 H LEU A 64 -7.317 -4.163 9.371 1.00 13.24 H new ATOM 0 HA LEU A 64 -6.698 -3.482 12.080 1.00 44.23 H new ATOM 0 HB2 LEU A 64 -5.518 -2.584 9.395 1.00 73.43 H new ATOM 0 HB3 LEU A 64 -4.749 -2.361 10.953 1.00 73.43 H new ATOM 0 HG LEU A 64 -5.310 -5.064 9.654 1.00 2.42 H new ATOM 0 HD11 LEU A 64 -2.854 -5.197 9.283 1.00 1.11 H new ATOM 0 HD12 LEU A 64 -3.592 -3.842 8.396 1.00 1.11 H new ATOM 0 HD13 LEU A 64 -2.681 -3.535 9.894 1.00 1.11 H new ATOM 0 HD21 LEU A 64 -3.849 -6.011 11.418 1.00 32.40 H new ATOM 0 HD22 LEU A 64 -3.741 -4.405 12.178 1.00 32.40 H new ATOM 0 HD23 LEU A 64 -5.308 -5.246 12.093 1.00 32.40 H new ATOM 1077 N GLY A 65 -8.132 -1.210 10.191 1.00 10.32 N ATOM 1078 CA GLY A 65 -8.664 0.153 10.107 1.00 60.32 C ATOM 1079 C GLY A 65 -7.646 1.151 9.549 1.00 51.15 C ATOM 1080 O GLY A 65 -7.659 2.336 9.917 1.00 3.11 O ATOM 0 H GLY A 65 -8.406 -1.807 9.411 1.00 10.32 H new ATOM 0 HA2 GLY A 65 -9.552 0.154 9.475 1.00 60.32 H new ATOM 0 HA3 GLY A 65 -8.979 0.478 11.099 1.00 60.32 H new ATOM 1084 N GLY A 66 -6.774 0.666 8.641 1.00 31.11 N ATOM 1085 CA GLY A 66 -5.698 1.476 8.060 1.00 1.24 C ATOM 1086 C GLY A 66 -5.996 1.980 6.655 1.00 21.31 C ATOM 1087 O GLY A 66 -5.160 2.669 6.076 1.00 31.41 O ATOM 0 H GLY A 66 -6.800 -0.293 8.295 1.00 31.11 H new ATOM 0 HA2 GLY A 66 -5.509 2.331 8.710 1.00 1.24 H new ATOM 0 HA3 GLY A 66 -4.783 0.884 8.037 1.00 1.24 H new ATOM 1091 N ALA A 67 -7.192 1.662 6.118 1.00 53.14 N ATOM 1092 CA ALA A 67 -7.574 2.006 4.729 1.00 74.21 C ATOM 1093 C ALA A 67 -7.609 3.522 4.493 1.00 10.42 C ATOM 1094 O ALA A 67 -7.056 4.022 3.503 1.00 51.35 O ATOM 1095 CB ALA A 67 -8.927 1.384 4.379 1.00 62.53 C ATOM 0 H ALA A 67 -7.918 1.162 6.631 1.00 53.14 H new ATOM 0 HA ALA A 67 -6.807 1.594 4.073 1.00 74.21 H new ATOM 0 HB1 ALA A 67 -9.194 1.646 3.355 1.00 62.53 H new ATOM 0 HB2 ALA A 67 -8.864 0.300 4.472 1.00 62.53 H new ATOM 0 HB3 ALA A 67 -9.689 1.763 5.061 1.00 62.53 H new ATOM 1101 N VAL A 68 -8.252 4.233 5.431 1.00 62.10 N ATOM 1102 CA VAL A 68 -8.364 5.697 5.404 1.00 13.22 C ATOM 1103 C VAL A 68 -6.966 6.336 5.540 1.00 31.35 C ATOM 1104 O VAL A 68 -6.684 7.329 4.888 1.00 2.21 O ATOM 1105 CB VAL A 68 -9.320 6.225 6.546 1.00 30.43 C ATOM 1106 CG1 VAL A 68 -9.479 7.760 6.491 1.00 33.24 C ATOM 1107 CG2 VAL A 68 -10.703 5.537 6.476 1.00 13.20 C ATOM 0 H VAL A 68 -8.712 3.805 6.234 1.00 62.10 H new ATOM 0 HA VAL A 68 -8.799 5.984 4.447 1.00 13.22 H new ATOM 0 HB VAL A 68 -8.855 5.970 7.498 1.00 30.43 H new ATOM 0 HG11 VAL A 68 -10.143 8.086 7.291 1.00 33.24 H new ATOM 0 HG12 VAL A 68 -8.504 8.231 6.614 1.00 33.24 H new ATOM 0 HG13 VAL A 68 -9.902 8.048 5.529 1.00 33.24 H new ATOM 0 HG21 VAL A 68 -11.340 5.919 7.273 1.00 13.20 H new ATOM 0 HG22 VAL A 68 -11.165 5.746 5.511 1.00 13.20 H new ATOM 0 HG23 VAL A 68 -10.580 4.460 6.594 1.00 13.20 H new ATOM 1117 N GLN A 69 -6.095 5.709 6.358 1.00 3.12 N ATOM 1118 CA GLN A 69 -4.711 6.189 6.602 1.00 31.15 C ATOM 1119 C GLN A 69 -3.849 6.143 5.321 1.00 43.21 C ATOM 1120 O GLN A 69 -3.046 7.044 5.077 1.00 21.31 O ATOM 1121 CB GLN A 69 -4.032 5.360 7.732 1.00 2.44 C ATOM 1122 CG GLN A 69 -4.743 5.401 9.109 1.00 54.51 C ATOM 1123 CD GLN A 69 -4.762 6.778 9.800 1.00 32.53 C ATOM 1124 OE1 GLN A 69 -4.815 7.832 9.169 1.00 61.40 O ATOM 1125 NE2 GLN A 69 -4.719 6.775 11.121 1.00 44.10 N ATOM 0 H GLN A 69 -6.327 4.857 6.869 1.00 3.12 H new ATOM 0 HA GLN A 69 -4.784 7.230 6.917 1.00 31.15 H new ATOM 0 HB2 GLN A 69 -3.966 4.322 7.407 1.00 2.44 H new ATOM 0 HB3 GLN A 69 -3.011 5.720 7.859 1.00 2.44 H new ATOM 0 HG2 GLN A 69 -5.771 5.064 8.978 1.00 54.51 H new ATOM 0 HG3 GLN A 69 -4.255 4.687 9.772 1.00 54.51 H new ATOM 0 HE21 GLN A 69 -4.675 5.891 11.628 1.00 44.10 H new ATOM 0 HE22 GLN A 69 -4.730 7.657 11.634 1.00 44.10 H new ATOM 1134 N VAL A 70 -4.039 5.082 4.516 1.00 31.42 N ATOM 1135 CA VAL A 70 -3.335 4.893 3.226 1.00 25.43 C ATOM 1136 C VAL A 70 -3.806 5.939 2.205 1.00 2.15 C ATOM 1137 O VAL A 70 -2.995 6.608 1.560 1.00 22.11 O ATOM 1138 CB VAL A 70 -3.581 3.440 2.669 1.00 52.12 C ATOM 1139 CG1 VAL A 70 -2.937 3.213 1.280 1.00 43.14 C ATOM 1140 CG2 VAL A 70 -3.080 2.393 3.676 1.00 51.33 C ATOM 0 H VAL A 70 -4.687 4.326 4.739 1.00 31.42 H new ATOM 0 HA VAL A 70 -2.266 5.022 3.394 1.00 25.43 H new ATOM 0 HB VAL A 70 -4.657 3.327 2.536 1.00 52.12 H new ATOM 0 HG11 VAL A 70 -3.139 2.195 0.947 1.00 43.14 H new ATOM 0 HG12 VAL A 70 -3.358 3.919 0.564 1.00 43.14 H new ATOM 0 HG13 VAL A 70 -1.860 3.365 1.349 1.00 43.14 H new ATOM 0 HG21 VAL A 70 -3.256 1.393 3.279 1.00 51.33 H new ATOM 0 HG22 VAL A 70 -2.013 2.533 3.846 1.00 51.33 H new ATOM 0 HG23 VAL A 70 -3.616 2.509 4.618 1.00 51.33 H new ATOM 1150 N LYS A 71 -5.142 6.084 2.107 1.00 11.14 N ATOM 1151 CA LYS A 71 -5.790 7.044 1.195 1.00 54.31 C ATOM 1152 C LYS A 71 -5.440 8.494 1.561 1.00 51.14 C ATOM 1153 O LYS A 71 -5.257 9.328 0.678 1.00 50.04 O ATOM 1154 CB LYS A 71 -7.328 6.814 1.183 1.00 54.02 C ATOM 1155 CG LYS A 71 -7.748 5.496 0.490 1.00 24.24 C ATOM 1156 CD LYS A 71 -9.281 5.290 0.429 1.00 4.13 C ATOM 1157 CE LYS A 71 -10.015 6.382 -0.375 1.00 32.31 C ATOM 1158 NZ LYS A 71 -11.484 6.133 -0.427 1.00 72.14 N ATOM 0 H LYS A 71 -5.802 5.537 2.660 1.00 11.14 H new ATOM 0 HA LYS A 71 -5.409 6.872 0.188 1.00 54.31 H new ATOM 0 HB2 LYS A 71 -7.695 6.809 2.209 1.00 54.02 H new ATOM 0 HB3 LYS A 71 -7.809 7.651 0.677 1.00 54.02 H new ATOM 0 HG2 LYS A 71 -7.348 5.484 -0.524 1.00 24.24 H new ATOM 0 HG3 LYS A 71 -7.298 4.657 1.020 1.00 24.24 H new ATOM 0 HD2 LYS A 71 -9.492 4.318 -0.017 1.00 4.13 H new ATOM 0 HD3 LYS A 71 -9.678 5.268 1.444 1.00 4.13 H new ATOM 0 HE2 LYS A 71 -9.826 7.356 0.077 1.00 32.31 H new ATOM 0 HE3 LYS A 71 -9.616 6.418 -1.389 1.00 32.31 H new ATOM 0 HZ1 LYS A 71 -11.945 6.887 -0.976 1.00 72.14 H new ATOM 0 HZ2 LYS A 71 -11.665 5.215 -0.881 1.00 72.14 H new ATOM 0 HZ3 LYS A 71 -11.869 6.123 0.539 1.00 72.14 H new ATOM 1172 N THR A 72 -5.324 8.774 2.868 1.00 74.13 N ATOM 1173 CA THR A 72 -4.955 10.102 3.379 1.00 11.22 C ATOM 1174 C THR A 72 -3.484 10.407 3.048 1.00 3.55 C ATOM 1175 O THR A 72 -3.175 11.470 2.503 1.00 21.12 O ATOM 1176 CB THR A 72 -5.213 10.190 4.928 1.00 34.21 C ATOM 1177 OG1 THR A 72 -6.625 10.070 5.189 1.00 62.34 O ATOM 1178 CG2 THR A 72 -4.698 11.494 5.559 1.00 63.52 C ATOM 0 H THR A 72 -5.484 8.084 3.602 1.00 74.13 H new ATOM 0 HA THR A 72 -5.579 10.851 2.892 1.00 11.22 H new ATOM 0 HB THR A 72 -4.657 9.370 5.383 1.00 34.21 H new ATOM 0 HG1 THR A 72 -6.889 9.128 5.131 1.00 62.34 H new ATOM 0 HG21 THR A 72 -4.909 11.489 6.628 1.00 63.52 H new ATOM 0 HG22 THR A 72 -3.622 11.575 5.401 1.00 63.52 H new ATOM 0 HG23 THR A 72 -5.197 12.345 5.095 1.00 63.52 H new ATOM 1186 N PHE A 73 -2.595 9.437 3.333 1.00 23.40 N ATOM 1187 CA PHE A 73 -1.139 9.612 3.174 1.00 34.51 C ATOM 1188 C PHE A 73 -0.771 9.838 1.694 1.00 52.54 C ATOM 1189 O PHE A 73 -0.212 10.880 1.356 1.00 11.33 O ATOM 1190 CB PHE A 73 -0.371 8.387 3.745 1.00 14.41 C ATOM 1191 CG PHE A 73 1.147 8.580 3.834 1.00 35.14 C ATOM 1192 CD1 PHE A 73 1.994 8.253 2.767 1.00 22.10 C ATOM 1193 CD2 PHE A 73 1.732 9.099 4.989 1.00 71.03 C ATOM 1194 CE1 PHE A 73 3.362 8.437 2.863 1.00 22.15 C ATOM 1195 CE2 PHE A 73 3.099 9.279 5.079 1.00 5.43 C ATOM 1196 CZ PHE A 73 3.913 8.948 4.018 1.00 42.04 C ATOM 0 H PHE A 73 -2.863 8.515 3.678 1.00 23.40 H new ATOM 0 HA PHE A 73 -0.843 10.496 3.738 1.00 34.51 H new ATOM 0 HB2 PHE A 73 -0.756 8.163 4.740 1.00 14.41 H new ATOM 0 HB3 PHE A 73 -0.579 7.519 3.120 1.00 14.41 H new ATOM 0 HD1 PHE A 73 1.573 7.852 1.857 1.00 22.10 H new ATOM 0 HD2 PHE A 73 1.106 9.365 5.828 1.00 71.03 H new ATOM 0 HE1 PHE A 73 4.000 8.179 2.030 1.00 22.15 H new ATOM 0 HE2 PHE A 73 3.531 9.680 5.984 1.00 5.43 H new ATOM 0 HZ PHE A 73 4.981 9.089 4.091 1.00 42.04 H new ATOM 1206 N ILE A 74 -1.137 8.863 0.827 1.00 52.24 N ATOM 1207 CA ILE A 74 -0.754 8.844 -0.603 1.00 60.12 C ATOM 1208 C ILE A 74 -1.279 10.088 -1.349 1.00 52.20 C ATOM 1209 O ILE A 74 -0.514 10.762 -2.047 1.00 54.12 O ATOM 1210 CB ILE A 74 -1.241 7.520 -1.317 1.00 52.22 C ATOM 1211 CG1 ILE A 74 -0.540 6.280 -0.671 1.00 0.34 C ATOM 1212 CG2 ILE A 74 -1.000 7.561 -2.853 1.00 45.11 C ATOM 1213 CD1 ILE A 74 -0.895 4.940 -1.290 1.00 20.21 C ATOM 0 H ILE A 74 -1.709 8.065 1.103 1.00 52.24 H new ATOM 0 HA ILE A 74 0.335 8.866 -0.640 1.00 60.12 H new ATOM 0 HB ILE A 74 -2.318 7.436 -1.172 1.00 52.22 H new ATOM 0 HG12 ILE A 74 0.539 6.418 -0.737 1.00 0.34 H new ATOM 0 HG13 ILE A 74 -0.793 6.251 0.389 1.00 0.34 H new ATOM 0 HG21 ILE A 74 -1.350 6.631 -3.301 1.00 45.11 H new ATOM 0 HG22 ILE A 74 -1.546 8.400 -3.285 1.00 45.11 H new ATOM 0 HG23 ILE A 74 0.065 7.681 -3.051 1.00 45.11 H new ATOM 0 HD11 ILE A 74 -0.358 4.146 -0.772 1.00 20.21 H new ATOM 0 HD12 ILE A 74 -1.968 4.771 -1.200 1.00 20.21 H new ATOM 0 HD13 ILE A 74 -0.615 4.940 -2.343 1.00 20.21 H new ATOM 1225 N THR A 75 -2.571 10.413 -1.151 1.00 52.24 N ATOM 1226 CA THR A 75 -3.225 11.551 -1.839 1.00 74.12 C ATOM 1227 C THR A 75 -2.601 12.911 -1.419 1.00 32.24 C ATOM 1228 O THR A 75 -2.551 13.851 -2.218 1.00 54.13 O ATOM 1229 CB THR A 75 -4.771 11.542 -1.568 1.00 54.35 C ATOM 1230 OG1 THR A 75 -5.307 10.257 -1.935 1.00 31.22 O ATOM 1231 CG2 THR A 75 -5.532 12.632 -2.348 1.00 3.44 C ATOM 0 H THR A 75 -3.187 9.903 -0.518 1.00 52.24 H new ATOM 0 HA THR A 75 -3.057 11.431 -2.909 1.00 74.12 H new ATOM 0 HB THR A 75 -4.906 11.746 -0.506 1.00 54.35 H new ATOM 0 HG1 THR A 75 -5.393 9.698 -1.135 1.00 31.22 H new ATOM 0 HG21 THR A 75 -6.595 12.571 -2.116 1.00 3.44 H new ATOM 0 HG22 THR A 75 -5.154 13.614 -2.063 1.00 3.44 H new ATOM 0 HG23 THR A 75 -5.385 12.483 -3.418 1.00 3.44 H new ATOM 1239 N GLN A 76 -2.105 12.999 -0.175 1.00 12.44 N ATOM 1240 CA GLN A 76 -1.557 14.257 0.388 1.00 42.43 C ATOM 1241 C GLN A 76 -0.012 14.327 0.347 1.00 33.14 C ATOM 1242 O GLN A 76 0.549 15.407 0.579 1.00 51.45 O ATOM 1243 CB GLN A 76 -2.082 14.443 1.837 1.00 72.03 C ATOM 1244 CG GLN A 76 -3.621 14.557 1.927 1.00 41.50 C ATOM 1245 CD GLN A 76 -4.165 14.614 3.355 1.00 41.40 C ATOM 1246 OE1 GLN A 76 -5.369 14.113 3.552 1.00 23.00 O flip ATOM 1247 NE2 GLN A 76 -3.513 15.105 4.275 1.00 0.52 N flip ATOM 0 H GLN A 76 -2.069 12.210 0.470 1.00 12.44 H new ATOM 0 HA GLN A 76 -1.905 15.075 -0.243 1.00 42.43 H new ATOM 0 HB2 GLN A 76 -1.752 13.601 2.445 1.00 72.03 H new ATOM 0 HB3 GLN A 76 -1.634 15.340 2.265 1.00 72.03 H new ATOM 0 HG2 GLN A 76 -3.939 15.453 1.393 1.00 41.50 H new ATOM 0 HG3 GLN A 76 -4.067 13.705 1.414 1.00 41.50 H new ATOM 0 HE21 GLN A 76 -2.584 15.486 4.095 1.00 0.52 H new ATOM 0 HE22 GLN A 76 -3.901 15.132 5.218 1.00 0.52 H new ATOM 1256 N THR A 77 0.681 13.200 0.074 1.00 71.43 N ATOM 1257 CA THR A 77 2.164 13.178 0.024 1.00 33.10 C ATOM 1258 C THR A 77 2.667 13.536 -1.381 1.00 42.32 C ATOM 1259 O THR A 77 2.031 13.216 -2.387 1.00 61.32 O ATOM 1260 CB THR A 77 2.778 11.796 0.465 1.00 32.53 C ATOM 1261 OG1 THR A 77 4.201 11.919 0.622 1.00 34.20 O ATOM 1262 CG2 THR A 77 2.494 10.647 -0.525 1.00 11.51 C ATOM 0 H THR A 77 0.243 12.298 -0.114 1.00 71.43 H new ATOM 0 HA THR A 77 2.500 13.927 0.741 1.00 33.10 H new ATOM 0 HB THR A 77 2.294 11.542 1.408 1.00 32.53 H new ATOM 0 HG1 THR A 77 4.575 11.056 0.898 1.00 34.20 H new ATOM 0 HG21 THR A 77 2.947 9.727 -0.155 1.00 11.51 H new ATOM 0 HG22 THR A 77 1.417 10.507 -0.621 1.00 11.51 H new ATOM 0 HG23 THR A 77 2.916 10.893 -1.499 1.00 11.51 H new ATOM 1270 N LYS A 78 3.816 14.216 -1.433 1.00 54.24 N ATOM 1271 CA LYS A 78 4.512 14.543 -2.693 1.00 40.23 C ATOM 1272 C LYS A 78 5.754 13.644 -2.865 1.00 21.04 C ATOM 1273 O LYS A 78 6.543 13.835 -3.794 1.00 22.10 O ATOM 1274 CB LYS A 78 4.887 16.052 -2.712 1.00 60.51 C ATOM 1275 CG LYS A 78 3.670 17.003 -2.604 1.00 75.20 C ATOM 1276 CD LYS A 78 4.065 18.500 -2.511 1.00 54.22 C ATOM 1277 CE LYS A 78 2.838 19.407 -2.329 1.00 34.12 C ATOM 1278 NZ LYS A 78 3.210 20.839 -2.165 1.00 30.41 N ATOM 0 H LYS A 78 4.296 14.559 -0.601 1.00 54.24 H new ATOM 0 HA LYS A 78 3.848 14.351 -3.536 1.00 40.23 H new ATOM 0 HB2 LYS A 78 5.570 16.257 -1.887 1.00 60.51 H new ATOM 0 HB3 LYS A 78 5.426 16.271 -3.634 1.00 60.51 H new ATOM 0 HG2 LYS A 78 3.027 16.858 -3.472 1.00 75.20 H new ATOM 0 HG3 LYS A 78 3.085 16.734 -1.725 1.00 75.20 H new ATOM 0 HD2 LYS A 78 4.749 18.643 -1.675 1.00 54.22 H new ATOM 0 HD3 LYS A 78 4.600 18.791 -3.415 1.00 54.22 H new ATOM 0 HE2 LYS A 78 2.181 19.302 -3.192 1.00 34.12 H new ATOM 0 HE3 LYS A 78 2.273 19.079 -1.456 1.00 34.12 H new ATOM 0 HZ1 LYS A 78 2.349 21.410 -2.046 1.00 30.41 H new ATOM 0 HZ2 LYS A 78 3.816 20.947 -1.326 1.00 30.41 H new ATOM 0 HZ3 LYS A 78 3.726 21.162 -3.008 1.00 30.41 H new ATOM 1292 N GLU A 79 5.902 12.657 -1.962 1.00 14.44 N ATOM 1293 CA GLU A 79 6.955 11.630 -2.044 1.00 62.12 C ATOM 1294 C GLU A 79 6.573 10.562 -3.076 1.00 3.20 C ATOM 1295 O GLU A 79 5.399 10.185 -3.188 1.00 73.04 O ATOM 1296 CB GLU A 79 7.187 10.959 -0.662 1.00 4.04 C ATOM 1297 CG GLU A 79 7.588 11.929 0.460 1.00 44.14 C ATOM 1298 CD GLU A 79 8.900 12.688 0.178 1.00 23.15 C ATOM 1299 OE1 GLU A 79 9.990 12.117 0.406 1.00 30.22 O ATOM 1300 OE2 GLU A 79 8.848 13.858 -0.258 1.00 74.11 O ATOM 0 H GLU A 79 5.292 12.550 -1.152 1.00 14.44 H new ATOM 0 HA GLU A 79 7.879 12.119 -2.353 1.00 62.12 H new ATOM 0 HB2 GLU A 79 6.275 10.440 -0.367 1.00 4.04 H new ATOM 0 HB3 GLU A 79 7.965 10.203 -0.766 1.00 4.04 H new ATOM 0 HG2 GLU A 79 6.785 12.651 0.609 1.00 44.14 H new ATOM 0 HG3 GLU A 79 7.693 11.372 1.391 1.00 44.14 H new ATOM 1307 N ARG A 80 7.576 10.083 -3.814 1.00 12.10 N ATOM 1308 CA ARG A 80 7.417 9.011 -4.810 1.00 14.50 C ATOM 1309 C ARG A 80 8.292 7.807 -4.426 1.00 61.54 C ATOM 1310 O ARG A 80 9.366 7.987 -3.832 1.00 45.14 O ATOM 1311 CB ARG A 80 7.775 9.506 -6.246 1.00 44.01 C ATOM 1312 CG ARG A 80 6.735 10.466 -6.846 1.00 53.43 C ATOM 1313 CD ARG A 80 7.064 10.899 -8.289 1.00 12.21 C ATOM 1314 NE ARG A 80 6.025 11.775 -8.858 1.00 73.55 N ATOM 1315 CZ ARG A 80 5.452 11.621 -10.072 1.00 71.11 C ATOM 1316 NH1 ARG A 80 5.795 10.601 -10.877 1.00 34.03 N ATOM 1317 NH2 ARG A 80 4.561 12.517 -10.484 1.00 23.03 N ATOM 0 H ARG A 80 8.533 10.429 -3.740 1.00 12.10 H new ATOM 0 HA ARG A 80 6.370 8.708 -4.817 1.00 14.50 H new ATOM 0 HB2 ARG A 80 8.744 10.005 -6.218 1.00 44.01 H new ATOM 0 HB3 ARG A 80 7.881 8.642 -6.903 1.00 44.01 H new ATOM 0 HG2 ARG A 80 5.757 9.985 -6.833 1.00 53.43 H new ATOM 0 HG3 ARG A 80 6.663 11.352 -6.216 1.00 53.43 H new ATOM 0 HD2 ARG A 80 8.022 11.419 -8.301 1.00 12.21 H new ATOM 0 HD3 ARG A 80 7.174 10.014 -8.916 1.00 12.21 H new ATOM 0 HE ARG A 80 5.713 12.562 -8.289 1.00 73.55 H new ATOM 0 HH11 ARG A 80 6.499 9.927 -10.575 1.00 34.03 H new ATOM 0 HH12 ARG A 80 5.352 10.501 -11.790 1.00 34.03 H new ATOM 0 HH21 ARG A 80 4.318 13.307 -9.886 1.00 23.03 H new ATOM 0 HH22 ARG A 80 4.120 12.415 -11.398 1.00 23.03 H new ATOM 1331 N PRO A 81 7.832 6.556 -4.740 1.00 71.13 N ATOM 1332 CA PRO A 81 8.669 5.344 -4.589 1.00 2.42 C ATOM 1333 C PRO A 81 9.901 5.402 -5.526 1.00 54.14 C ATOM 1334 O PRO A 81 9.756 5.486 -6.752 1.00 51.03 O ATOM 1335 CB PRO A 81 7.701 4.184 -4.964 1.00 1.25 C ATOM 1336 CG PRO A 81 6.317 4.761 -4.882 1.00 43.34 C ATOM 1337 CD PRO A 81 6.463 6.223 -5.234 1.00 61.12 C ATOM 0 HA PRO A 81 9.083 5.227 -3.587 1.00 2.42 H new ATOM 0 HB2 PRO A 81 7.910 3.810 -5.966 1.00 1.25 H new ATOM 0 HB3 PRO A 81 7.815 3.343 -4.280 1.00 1.25 H new ATOM 0 HG2 PRO A 81 5.641 4.257 -5.573 1.00 43.34 H new ATOM 0 HG3 PRO A 81 5.900 4.639 -3.882 1.00 43.34 H new ATOM 0 HD2 PRO A 81 6.370 6.390 -6.307 1.00 61.12 H new ATOM 0 HD3 PRO A 81 5.700 6.832 -4.749 1.00 61.12 H new ATOM 1345 N ARG A 82 11.103 5.359 -4.936 1.00 20.51 N ATOM 1346 CA ARG A 82 12.382 5.502 -5.669 1.00 54.15 C ATOM 1347 C ARG A 82 13.300 4.308 -5.337 1.00 61.34 C ATOM 1348 O ARG A 82 13.087 3.638 -4.324 1.00 61.12 O ATOM 1349 CB ARG A 82 13.042 6.868 -5.296 1.00 74.21 C ATOM 1350 CG ARG A 82 14.234 7.269 -6.193 1.00 62.34 C ATOM 1351 CD ARG A 82 14.834 8.647 -5.851 1.00 33.43 C ATOM 1352 NE ARG A 82 15.951 8.979 -6.751 1.00 50.44 N ATOM 1353 CZ ARG A 82 16.839 9.965 -6.562 1.00 45.53 C ATOM 1354 NH1 ARG A 82 16.777 10.756 -5.489 1.00 41.21 N ATOM 1355 NH2 ARG A 82 17.794 10.159 -7.463 1.00 52.42 N ATOM 0 H ARG A 82 11.223 5.224 -3.932 1.00 20.51 H new ATOM 0 HA ARG A 82 12.207 5.498 -6.745 1.00 54.15 H new ATOM 0 HB2 ARG A 82 12.284 7.650 -5.349 1.00 74.21 H new ATOM 0 HB3 ARG A 82 13.381 6.823 -4.261 1.00 74.21 H new ATOM 0 HG2 ARG A 82 15.013 6.512 -6.105 1.00 62.34 H new ATOM 0 HG3 ARG A 82 13.909 7.273 -7.233 1.00 62.34 H new ATOM 0 HD2 ARG A 82 14.062 9.412 -5.928 1.00 33.43 H new ATOM 0 HD3 ARG A 82 15.183 8.649 -4.818 1.00 33.43 H new ATOM 0 HE ARG A 82 16.058 8.410 -7.591 1.00 50.44 H new ATOM 0 HH11 ARG A 82 16.044 10.616 -4.794 1.00 41.21 H new ATOM 0 HH12 ARG A 82 17.463 11.501 -5.364 1.00 41.21 H new ATOM 0 HH21 ARG A 82 17.846 9.561 -8.288 1.00 52.42 H new ATOM 0 HH22 ARG A 82 18.476 10.906 -7.331 1.00 52.42 H new ATOM 1369 N LEU A 83 14.299 4.034 -6.204 1.00 15.44 N ATOM 1370 CA LEU A 83 15.189 2.861 -6.083 1.00 41.24 C ATOM 1371 C LEU A 83 15.905 2.829 -4.715 1.00 42.52 C ATOM 1372 O LEU A 83 16.757 3.682 -4.434 1.00 42.31 O ATOM 1373 CB LEU A 83 16.232 2.861 -7.231 1.00 15.51 C ATOM 1374 CG LEU A 83 17.180 1.619 -7.306 1.00 54.33 C ATOM 1375 CD1 LEU A 83 16.384 0.321 -7.567 1.00 12.11 C ATOM 1376 CD2 LEU A 83 18.286 1.829 -8.368 1.00 35.11 C ATOM 0 H LEU A 83 14.511 4.623 -7.010 1.00 15.44 H new ATOM 0 HA LEU A 83 14.571 1.966 -6.157 1.00 41.24 H new ATOM 0 HB2 LEU A 83 15.698 2.942 -8.178 1.00 15.51 H new ATOM 0 HB3 LEU A 83 16.847 3.756 -7.134 1.00 15.51 H new ATOM 0 HG LEU A 83 17.668 1.512 -6.337 1.00 54.33 H new ATOM 0 HD11 LEU A 83 17.071 -0.524 -7.614 1.00 12.11 H new ATOM 0 HD12 LEU A 83 15.670 0.164 -6.759 1.00 12.11 H new ATOM 0 HD13 LEU A 83 15.849 0.406 -8.513 1.00 12.11 H new ATOM 0 HD21 LEU A 83 18.931 0.951 -8.400 1.00 35.11 H new ATOM 0 HD22 LEU A 83 17.828 1.978 -9.346 1.00 35.11 H new ATOM 0 HD23 LEU A 83 18.879 2.706 -8.107 1.00 35.11 H new ATOM 1388 N GLY A 84 15.514 1.856 -3.865 1.00 31.44 N ATOM 1389 CA GLY A 84 16.091 1.682 -2.525 1.00 20.14 C ATOM 1390 C GLY A 84 15.219 2.283 -1.428 1.00 74.45 C ATOM 1391 O GLY A 84 15.207 1.789 -0.296 1.00 71.11 O ATOM 0 H GLY A 84 14.791 1.173 -4.092 1.00 31.44 H new ATOM 0 HA2 GLY A 84 16.233 0.619 -2.330 1.00 20.14 H new ATOM 0 HA3 GLY A 84 17.077 2.146 -2.495 1.00 20.14 H new ATOM 1395 N LYS A 85 14.472 3.351 -1.766 1.00 42.44 N ATOM 1396 CA LYS A 85 13.617 4.091 -0.814 1.00 5.52 C ATOM 1397 C LYS A 85 12.121 3.834 -1.103 1.00 24.40 C ATOM 1398 O LYS A 85 11.566 4.358 -2.076 1.00 43.21 O ATOM 1399 CB LYS A 85 13.934 5.615 -0.885 1.00 73.13 C ATOM 1400 CG LYS A 85 15.356 5.995 -0.416 1.00 14.45 C ATOM 1401 CD LYS A 85 15.620 7.517 -0.465 1.00 72.42 C ATOM 1402 CE LYS A 85 17.010 7.895 0.082 1.00 54.40 C ATOM 1403 NZ LYS A 85 18.130 7.330 -0.720 1.00 25.43 N ATOM 0 H LYS A 85 14.444 3.728 -2.713 1.00 42.44 H new ATOM 0 HA LYS A 85 13.831 3.734 0.193 1.00 5.52 H new ATOM 0 HB2 LYS A 85 13.801 5.954 -1.913 1.00 73.13 H new ATOM 0 HB3 LYS A 85 13.208 6.153 -0.276 1.00 73.13 H new ATOM 0 HG2 LYS A 85 15.504 5.639 0.603 1.00 14.45 H new ATOM 0 HG3 LYS A 85 16.088 5.484 -1.042 1.00 14.45 H new ATOM 0 HD2 LYS A 85 15.532 7.864 -1.494 1.00 72.42 H new ATOM 0 HD3 LYS A 85 14.853 8.034 0.112 1.00 72.42 H new ATOM 0 HE2 LYS A 85 17.101 8.981 0.106 1.00 54.40 H new ATOM 0 HE3 LYS A 85 17.096 7.545 1.111 1.00 54.40 H new ATOM 0 HZ1 LYS A 85 19.037 7.620 -0.302 1.00 25.43 H new ATOM 0 HZ2 LYS A 85 18.066 6.292 -0.723 1.00 25.43 H new ATOM 0 HZ3 LYS A 85 18.071 7.683 -1.696 1.00 25.43 H new ATOM 1417 N ALA A 86 11.485 3.016 -0.253 1.00 40.34 N ATOM 1418 CA ALA A 86 10.044 2.716 -0.334 1.00 61.13 C ATOM 1419 C ALA A 86 9.232 3.779 0.418 1.00 71.34 C ATOM 1420 O ALA A 86 9.725 4.366 1.393 1.00 3.30 O ATOM 1421 CB ALA A 86 9.771 1.326 0.255 1.00 10.31 C ATOM 0 H ALA A 86 11.957 2.540 0.516 1.00 40.34 H new ATOM 0 HA ALA A 86 9.739 2.727 -1.380 1.00 61.13 H new ATOM 0 HB1 ALA A 86 8.705 1.108 0.193 1.00 10.31 H new ATOM 0 HB2 ALA A 86 10.328 0.577 -0.308 1.00 10.31 H new ATOM 0 HB3 ALA A 86 10.086 1.305 1.298 1.00 10.31 H new ATOM 1427 N VAL A 87 7.986 4.021 -0.031 1.00 64.13 N ATOM 1428 CA VAL A 87 7.051 4.911 0.667 1.00 51.31 C ATOM 1429 C VAL A 87 6.418 4.137 1.843 1.00 70.21 C ATOM 1430 O VAL A 87 5.405 3.451 1.693 1.00 24.33 O ATOM 1431 CB VAL A 87 5.962 5.496 -0.317 1.00 52.22 C ATOM 1432 CG1 VAL A 87 4.930 6.387 0.410 1.00 54.31 C ATOM 1433 CG2 VAL A 87 6.631 6.275 -1.471 1.00 70.24 C ATOM 0 H VAL A 87 7.605 3.607 -0.882 1.00 64.13 H new ATOM 0 HA VAL A 87 7.591 5.773 1.060 1.00 51.31 H new ATOM 0 HB VAL A 87 5.419 4.646 -0.731 1.00 52.22 H new ATOM 0 HG11 VAL A 87 4.204 6.764 -0.310 1.00 54.31 H new ATOM 0 HG12 VAL A 87 4.415 5.801 1.171 1.00 54.31 H new ATOM 0 HG13 VAL A 87 5.442 7.225 0.882 1.00 54.31 H new ATOM 0 HG21 VAL A 87 5.863 6.669 -2.137 1.00 70.24 H new ATOM 0 HG22 VAL A 87 7.216 7.099 -1.063 1.00 70.24 H new ATOM 0 HG23 VAL A 87 7.287 5.607 -2.029 1.00 70.24 H new ATOM 1443 N SER A 88 7.083 4.220 2.997 1.00 33.14 N ATOM 1444 CA SER A 88 6.657 3.577 4.239 1.00 52.45 C ATOM 1445 C SER A 88 5.505 4.388 4.855 1.00 65.25 C ATOM 1446 O SER A 88 5.732 5.440 5.459 1.00 33.43 O ATOM 1447 CB SER A 88 7.865 3.482 5.209 1.00 23.33 C ATOM 1448 OG SER A 88 7.488 2.989 6.481 1.00 31.42 O ATOM 0 H SER A 88 7.951 4.747 3.095 1.00 33.14 H new ATOM 0 HA SER A 88 6.300 2.566 4.043 1.00 52.45 H new ATOM 0 HB2 SER A 88 8.625 2.830 4.778 1.00 23.33 H new ATOM 0 HB3 SER A 88 8.317 4.467 5.322 1.00 23.33 H new ATOM 0 HG SER A 88 8.277 2.943 7.061 1.00 31.42 H new ATOM 1454 N ILE A 89 4.270 3.924 4.622 1.00 5.31 N ATOM 1455 CA ILE A 89 3.046 4.549 5.149 1.00 23.22 C ATOM 1456 C ILE A 89 2.817 4.076 6.601 1.00 33.44 C ATOM 1457 O ILE A 89 2.484 2.905 6.807 1.00 13.15 O ATOM 1458 CB ILE A 89 1.793 4.165 4.270 1.00 25.13 C ATOM 1459 CG1 ILE A 89 2.039 4.532 2.774 1.00 3.25 C ATOM 1460 CG2 ILE A 89 0.489 4.819 4.809 1.00 32.41 C ATOM 1461 CD1 ILE A 89 0.967 4.034 1.828 1.00 40.04 C ATOM 0 H ILE A 89 4.089 3.095 4.056 1.00 5.31 H new ATOM 0 HA ILE A 89 3.169 5.632 5.121 1.00 23.22 H new ATOM 0 HB ILE A 89 1.657 3.086 4.337 1.00 25.13 H new ATOM 0 HG12 ILE A 89 2.111 5.616 2.685 1.00 3.25 H new ATOM 0 HG13 ILE A 89 3.000 4.122 2.464 1.00 3.25 H new ATOM 0 HG21 ILE A 89 -0.351 4.531 4.177 1.00 32.41 H new ATOM 0 HG22 ILE A 89 0.308 4.482 5.830 1.00 32.41 H new ATOM 0 HG23 ILE A 89 0.595 5.904 4.799 1.00 32.41 H new ATOM 0 HD11 ILE A 89 1.214 4.331 0.809 1.00 40.04 H new ATOM 0 HD12 ILE A 89 0.908 2.947 1.885 1.00 40.04 H new ATOM 0 HD13 ILE A 89 0.006 4.464 2.108 1.00 40.04 H new ATOM 1473 N PRO A 90 3.014 4.955 7.630 1.00 62.44 N ATOM 1474 CA PRO A 90 2.764 4.577 9.028 1.00 75.22 C ATOM 1475 C PRO A 90 1.253 4.589 9.344 1.00 3.40 C ATOM 1476 O PRO A 90 0.594 5.641 9.293 1.00 21.31 O ATOM 1477 CB PRO A 90 3.558 5.644 9.818 1.00 52.44 C ATOM 1478 CG PRO A 90 3.566 6.864 8.947 1.00 22.15 C ATOM 1479 CD PRO A 90 3.484 6.369 7.513 1.00 2.41 C ATOM 0 HA PRO A 90 3.078 3.564 9.278 1.00 75.22 H new ATOM 0 HB2 PRO A 90 3.088 5.851 10.779 1.00 52.44 H new ATOM 0 HB3 PRO A 90 4.572 5.304 10.026 1.00 52.44 H new ATOM 0 HG2 PRO A 90 2.723 7.514 9.182 1.00 22.15 H new ATOM 0 HG3 PRO A 90 4.473 7.448 9.105 1.00 22.15 H new ATOM 0 HD2 PRO A 90 2.791 6.970 6.925 1.00 2.41 H new ATOM 0 HD3 PRO A 90 4.453 6.425 7.018 1.00 2.41 H new ATOM 1487 N LEU A 91 0.703 3.401 9.636 1.00 35.21 N ATOM 1488 CA LEU A 91 -0.726 3.234 9.918 1.00 71.31 C ATOM 1489 C LEU A 91 -0.986 3.493 11.409 1.00 55.52 C ATOM 1490 O LEU A 91 -0.621 2.671 12.264 1.00 53.35 O ATOM 1491 CB LEU A 91 -1.191 1.816 9.493 1.00 72.12 C ATOM 1492 CG LEU A 91 -0.954 1.435 7.997 1.00 75.31 C ATOM 1493 CD1 LEU A 91 -1.450 0.005 7.709 1.00 3.30 C ATOM 1494 CD2 LEU A 91 -1.606 2.459 7.047 1.00 74.34 C ATOM 0 H LEU A 91 1.236 2.533 9.683 1.00 35.21 H new ATOM 0 HA LEU A 91 -1.304 3.956 9.341 1.00 71.31 H new ATOM 0 HB2 LEU A 91 -0.679 1.085 10.119 1.00 72.12 H new ATOM 0 HB3 LEU A 91 -2.256 1.726 9.705 1.00 72.12 H new ATOM 0 HG LEU A 91 0.120 1.459 7.812 1.00 75.31 H new ATOM 0 HD11 LEU A 91 -1.274 -0.237 6.661 1.00 3.30 H new ATOM 0 HD12 LEU A 91 -0.910 -0.701 8.340 1.00 3.30 H new ATOM 0 HD13 LEU A 91 -2.517 -0.060 7.922 1.00 3.30 H new ATOM 0 HD21 LEU A 91 -1.423 2.165 6.014 1.00 74.34 H new ATOM 0 HD22 LEU A 91 -2.680 2.492 7.230 1.00 74.34 H new ATOM 0 HD23 LEU A 91 -1.177 3.445 7.225 1.00 74.34 H new ATOM 1506 N ASP A 92 -1.565 4.669 11.711 1.00 4.32 N ATOM 1507 CA ASP A 92 -1.894 5.076 13.090 1.00 42.05 C ATOM 1508 C ASP A 92 -3.144 4.314 13.558 1.00 44.40 C ATOM 1509 O ASP A 92 -4.274 4.672 13.196 1.00 72.41 O ATOM 1510 CB ASP A 92 -2.106 6.614 13.160 1.00 34.30 C ATOM 1511 CG ASP A 92 -2.439 7.141 14.579 1.00 55.14 C ATOM 1512 OD1 ASP A 92 -3.632 7.189 14.956 1.00 61.34 O ATOM 1513 OD2 ASP A 92 -1.512 7.520 15.318 1.00 53.04 O ATOM 0 H ASP A 92 -1.818 5.363 11.008 1.00 4.32 H new ATOM 0 HA ASP A 92 -1.067 4.828 13.756 1.00 42.05 H new ATOM 0 HB2 ASP A 92 -1.205 7.111 12.801 1.00 34.30 H new ATOM 0 HB3 ASP A 92 -2.914 6.890 12.482 1.00 34.30 H new ATOM 1518 N LEU A 93 -2.928 3.219 14.303 1.00 64.25 N ATOM 1519 CA LEU A 93 -4.002 2.304 14.728 1.00 52.23 C ATOM 1520 C LEU A 93 -4.023 2.191 16.264 1.00 52.11 C ATOM 1521 O LEU A 93 -3.512 1.221 16.845 1.00 74.31 O ATOM 1522 CB LEU A 93 -3.807 0.912 14.044 1.00 4.41 C ATOM 1523 CG LEU A 93 -3.631 0.935 12.488 1.00 60.33 C ATOM 1524 CD1 LEU A 93 -3.327 -0.467 11.929 1.00 43.03 C ATOM 1525 CD2 LEU A 93 -4.855 1.566 11.789 1.00 22.14 C ATOM 0 H LEU A 93 -2.002 2.941 14.629 1.00 64.25 H new ATOM 0 HA LEU A 93 -4.969 2.699 14.416 1.00 52.23 H new ATOM 0 HB2 LEU A 93 -2.932 0.432 14.482 1.00 4.41 H new ATOM 0 HB3 LEU A 93 -4.667 0.287 14.284 1.00 4.41 H new ATOM 0 HG LEU A 93 -2.768 1.565 12.271 1.00 60.33 H new ATOM 0 HD11 LEU A 93 -3.212 -0.410 10.847 1.00 43.03 H new ATOM 0 HD12 LEU A 93 -2.405 -0.844 12.373 1.00 43.03 H new ATOM 0 HD13 LEU A 93 -4.148 -1.141 12.171 1.00 43.03 H new ATOM 0 HD21 LEU A 93 -4.698 1.565 10.710 1.00 22.14 H new ATOM 0 HD22 LEU A 93 -5.748 0.987 12.026 1.00 22.14 H new ATOM 0 HD23 LEU A 93 -4.984 2.591 12.136 1.00 22.14 H new