USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 MET CE :methyl -116:sc= -0.0203 (180deg=-0.0766) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= -0.346 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.36 K(o=-0.71,f=-2.2) USER MOD Single : A 6 GLN : amide:sc= -1.6! C(o=-1.6!,f=-1.5!) USER MOD Single : A 7 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.14) USER MOD Single : A 8 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.34) USER MOD Single : A 13 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.23) USER MOD Single : A 26 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.6!) USER MOD Single : A 27 SER OG : rot 97:sc= 1.27 USER MOD Single : A 33 SER OG : rot 14:sc= 0.742 USER MOD Single : A 37 GLN : amide:sc= -0.912 K(o=-0.91,f=-0.17) USER MOD Single : A 45 SER OG : rot -118:sc= 1.24 USER MOD Single : A 48 SER OG : rot -78:sc= 1.11 USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= -2.43! (180deg=-5.22!) USER MOD Single : A 71 SER OG : rot 89:sc= 0.0673 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 1.905 -10.583 13.114 1.00 0.00 N ATOM 2 CA GLN A 6 1.162 -9.338 12.949 1.00 0.00 C ATOM 3 C GLN A 6 2.021 -8.144 13.352 1.00 0.00 C ATOM 4 O GLN A 6 1.691 -6.998 13.048 1.00 0.00 O ATOM 5 CB GLN A 6 -0.108 -9.365 13.804 1.00 0.00 C ATOM 6 CG GLN A 6 0.241 -9.768 15.241 1.00 0.00 C ATOM 7 CD GLN A 6 0.315 -11.287 15.359 1.00 0.00 C ATOM 8 OE1 GLN A 6 -0.690 -11.974 15.177 1.00 0.00 O ATOM 9 NE2 GLN A 6 1.452 -11.854 15.654 1.00 0.00 N ATOM 0 HA GLN A 6 0.889 -9.239 11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.583 -8.384 13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.826 -10.069 13.383 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.195 -9.327 15.529 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.510 -9.379 15.928 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.283 -11.282 15.804 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.510 -12.869 15.734 1.00 0.00 H new ATOM 18 N GLN A 7 3.127 -8.420 14.037 1.00 0.00 N ATOM 19 CA GLN A 7 4.026 -7.360 14.477 1.00 0.00 C ATOM 20 C GLN A 7 4.228 -6.332 13.368 1.00 0.00 C ATOM 21 O GLN A 7 3.911 -5.157 13.533 1.00 0.00 O ATOM 22 CB GLN A 7 5.376 -7.959 14.876 1.00 0.00 C ATOM 23 CG GLN A 7 5.223 -8.740 16.182 1.00 0.00 C ATOM 24 CD GLN A 7 5.080 -7.773 17.354 1.00 0.00 C ATOM 25 OE1 GLN A 7 4.028 -7.721 17.991 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.081 -7.002 17.676 1.00 0.00 N ATOM 0 H GLN A 7 3.420 -9.362 14.297 1.00 0.00 H new ATOM 0 HA GLN A 7 3.580 -6.862 15.338 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.741 -8.617 14.087 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.115 -7.167 14.998 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.349 -9.389 16.127 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.089 -9.384 16.334 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.951 -7.048 17.146 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.994 -6.353 18.458 1.00 0.00 H new ATOM 35 N GLN A 8 4.758 -6.783 12.237 1.00 0.00 N ATOM 36 CA GLN A 8 4.998 -5.891 11.110 1.00 0.00 C ATOM 37 C GLN A 8 3.750 -5.069 10.797 1.00 0.00 C ATOM 38 O GLN A 8 3.845 -3.922 10.362 1.00 0.00 O ATOM 39 CB GLN A 8 5.399 -6.704 9.876 1.00 0.00 C ATOM 40 CG GLN A 8 6.842 -7.193 10.030 1.00 0.00 C ATOM 41 CD GLN A 8 7.815 -6.059 9.725 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.334 -5.966 8.613 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.093 -5.183 10.653 1.00 0.00 N ATOM 0 H GLN A 8 5.028 -7.754 12.077 1.00 0.00 H new ATOM 0 HA GLN A 8 5.807 -5.211 11.377 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.727 -7.554 9.754 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.305 -6.092 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.004 -7.559 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.024 -8.030 9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.662 -5.262 11.574 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.741 -4.420 10.457 1.00 0.00 H new ATOM 52 N ALA A 9 2.582 -5.666 11.016 1.00 0.00 N ATOM 53 CA ALA A 9 1.322 -4.980 10.747 1.00 0.00 C ATOM 54 C ALA A 9 1.092 -3.849 11.746 1.00 0.00 C ATOM 55 O ALA A 9 0.980 -2.685 11.363 1.00 0.00 O ATOM 56 CB ALA A 9 0.160 -5.975 10.821 1.00 0.00 C ATOM 0 H ALA A 9 2.481 -6.615 11.376 1.00 0.00 H new ATOM 0 HA ALA A 9 1.374 -4.553 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.777 -5.456 10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.306 -6.761 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.123 -6.417 11.817 1.00 0.00 H new ATOM 62 N VAL A 10 1.014 -4.197 13.026 1.00 0.00 N ATOM 63 CA VAL A 10 0.790 -3.197 14.065 1.00 0.00 C ATOM 64 C VAL A 10 1.982 -2.248 14.168 1.00 0.00 C ATOM 65 O VAL A 10 1.829 -1.084 14.540 1.00 0.00 O ATOM 66 CB VAL A 10 0.560 -3.887 15.412 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.697 -4.873 15.684 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.518 -2.839 16.526 1.00 0.00 C ATOM 0 H VAL A 10 1.102 -5.154 13.367 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.094 -2.617 13.800 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.388 -4.424 15.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.532 -5.363 16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.725 -5.623 14.893 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.646 -4.337 15.709 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.354 -3.333 17.484 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.464 -2.299 16.553 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.295 -2.138 16.335 1.00 0.00 H new ATOM 78 N LEU A 11 3.167 -2.750 13.837 1.00 0.00 N ATOM 79 CA LEU A 11 4.373 -1.932 13.900 1.00 0.00 C ATOM 80 C LEU A 11 4.355 -0.860 12.814 1.00 0.00 C ATOM 81 O LEU A 11 4.357 0.334 13.109 1.00 0.00 O ATOM 82 CB LEU A 11 5.616 -2.812 13.728 1.00 0.00 C ATOM 83 CG LEU A 11 5.880 -3.612 15.011 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.030 -4.592 14.762 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.259 -2.662 16.158 1.00 0.00 C ATOM 0 H LEU A 11 3.318 -3.709 13.525 1.00 0.00 H new ATOM 0 HA LEU A 11 4.404 -1.446 14.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.475 -3.493 12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.481 -2.191 13.493 1.00 0.00 H new ATOM 0 HG LEU A 11 4.978 -4.158 15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.223 -5.164 15.669 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.760 -5.273 13.955 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.927 -4.038 14.484 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.444 -3.240 17.063 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.159 -2.109 15.890 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.443 -1.962 16.335 1.00 0.00 H new ATOM 97 N GLU A 12 4.342 -1.293 11.556 1.00 0.00 N ATOM 98 CA GLU A 12 4.331 -0.354 10.440 1.00 0.00 C ATOM 99 C GLU A 12 3.097 0.542 10.502 1.00 0.00 C ATOM 100 O GLU A 12 3.168 1.732 10.197 1.00 0.00 O ATOM 101 CB GLU A 12 4.358 -1.118 9.110 1.00 0.00 C ATOM 102 CG GLU A 12 2.988 -1.751 8.838 1.00 0.00 C ATOM 103 CD GLU A 12 2.058 -0.740 8.169 1.00 0.00 C ATOM 104 OE1 GLU A 12 2.481 0.386 7.969 1.00 0.00 O ATOM 105 OE2 GLU A 12 0.935 -1.109 7.868 1.00 0.00 O ATOM 0 H GLU A 12 4.339 -2.277 11.286 1.00 0.00 H new ATOM 0 HA GLU A 12 5.219 0.275 10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.622 -0.441 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.125 -1.892 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.105 -2.626 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.548 -2.096 9.773 1.00 0.00 H new ATOM 112 N GLN A 13 1.967 -0.036 10.898 1.00 0.00 N ATOM 113 CA GLN A 13 0.727 0.725 10.995 1.00 0.00 C ATOM 114 C GLN A 13 0.844 1.807 12.065 1.00 0.00 C ATOM 115 O GLN A 13 0.437 2.948 11.852 1.00 0.00 O ATOM 116 CB GLN A 13 -0.437 -0.212 11.334 1.00 0.00 C ATOM 117 CG GLN A 13 -1.757 0.564 11.297 1.00 0.00 C ATOM 118 CD GLN A 13 -2.047 1.037 9.876 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.103 0.227 8.950 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.236 2.308 9.648 1.00 0.00 N ATOM 0 H GLN A 13 1.885 -1.020 11.155 1.00 0.00 H new ATOM 0 HA GLN A 13 0.539 1.202 10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.470 -1.037 10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.289 -0.648 12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.570 -0.070 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.704 1.420 11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.189 2.977 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.431 2.633 8.701 1.00 0.00 H new ATOM 129 N GLU A 14 1.401 1.441 13.214 1.00 0.00 N ATOM 130 CA GLU A 14 1.565 2.394 14.307 1.00 0.00 C ATOM 131 C GLU A 14 2.485 3.536 13.889 1.00 0.00 C ATOM 132 O GLU A 14 2.136 4.709 14.028 1.00 0.00 O ATOM 133 CB GLU A 14 2.147 1.685 15.536 1.00 0.00 C ATOM 134 CG GLU A 14 1.032 0.944 16.279 1.00 0.00 C ATOM 135 CD GLU A 14 0.207 1.929 17.101 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.803 2.774 17.749 1.00 0.00 O ATOM 137 OE2 GLU A 14 -1.008 1.824 17.072 1.00 0.00 O ATOM 0 H GLU A 14 1.744 0.501 13.413 1.00 0.00 H new ATOM 0 HA GLU A 14 0.587 2.806 14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.922 0.983 15.230 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.618 2.411 16.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.390 0.426 15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.462 0.184 16.931 1.00 0.00 H new ATOM 144 N ARG A 15 3.661 3.188 13.377 1.00 0.00 N ATOM 145 CA ARG A 15 4.624 4.195 12.944 1.00 0.00 C ATOM 146 C ARG A 15 4.000 5.118 11.901 1.00 0.00 C ATOM 147 O ARG A 15 4.127 6.341 11.984 1.00 0.00 O ATOM 148 CB ARG A 15 5.862 3.516 12.352 1.00 0.00 C ATOM 149 CG ARG A 15 6.707 2.905 13.478 1.00 0.00 C ATOM 150 CD ARG A 15 7.692 3.948 14.014 1.00 0.00 C ATOM 151 NE ARG A 15 8.831 4.078 13.112 1.00 0.00 N ATOM 152 CZ ARG A 15 9.611 5.153 13.142 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.363 6.118 13.985 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.626 5.244 12.327 1.00 0.00 N ATOM 0 H ARG A 15 3.969 2.224 13.252 1.00 0.00 H new ATOM 0 HA ARG A 15 4.916 4.788 13.811 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.561 2.740 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.454 4.241 11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.059 2.556 14.282 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.250 2.036 13.107 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.191 4.910 14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.036 3.657 15.006 1.00 0.00 H new ATOM 0 HE ARG A 15 9.032 3.331 12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.569 6.047 14.622 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.963 6.943 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.820 4.490 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.225 6.069 12.349 1.00 0.00 H new ATOM 168 N ARG A 16 3.326 4.527 10.920 1.00 0.00 N ATOM 169 CA ARG A 16 2.688 5.309 9.869 1.00 0.00 C ATOM 170 C ARG A 16 1.530 6.122 10.438 1.00 0.00 C ATOM 171 O ARG A 16 1.253 7.231 9.983 1.00 0.00 O ATOM 172 CB ARG A 16 2.171 4.382 8.766 1.00 0.00 C ATOM 173 CG ARG A 16 3.352 3.848 7.949 1.00 0.00 C ATOM 174 CD ARG A 16 2.830 3.025 6.768 1.00 0.00 C ATOM 175 NE ARG A 16 3.841 2.069 6.333 1.00 0.00 N ATOM 176 CZ ARG A 16 4.975 2.474 5.771 1.00 0.00 C ATOM 177 NH1 ARG A 16 5.199 3.748 5.599 1.00 0.00 N ATOM 178 NH2 ARG A 16 5.863 1.598 5.392 1.00 0.00 N ATOM 0 H ARG A 16 3.208 3.518 10.831 1.00 0.00 H new ATOM 0 HA ARG A 16 3.427 5.992 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.615 3.553 9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.481 4.921 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.961 4.676 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.994 3.232 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.921 2.497 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.566 3.687 5.943 1.00 0.00 H new ATOM 0 HE ARG A 16 3.675 1.071 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.504 4.433 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.069 4.059 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.687 0.602 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.734 1.908 4.961 1.00 0.00 H new ATOM 192 N ASP A 17 0.855 5.561 11.437 1.00 0.00 N ATOM 193 CA ASP A 17 -0.273 6.242 12.061 1.00 0.00 C ATOM 194 C ASP A 17 0.173 7.554 12.699 1.00 0.00 C ATOM 195 O ASP A 17 -0.301 8.628 12.327 1.00 0.00 O ATOM 196 CB ASP A 17 -0.904 5.343 13.126 1.00 0.00 C ATOM 197 CG ASP A 17 -2.116 6.034 13.740 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.954 6.498 12.984 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.189 6.089 14.956 1.00 0.00 O ATOM 0 H ASP A 17 1.068 4.644 11.829 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.009 6.461 11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.203 4.394 12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.173 5.116 13.902 1.00 0.00 H new ATOM 204 N ARG A 18 1.085 7.461 13.661 1.00 0.00 N ATOM 205 CA ARG A 18 1.583 8.651 14.342 1.00 0.00 C ATOM 206 C ARG A 18 2.265 9.592 13.354 1.00 0.00 C ATOM 207 O ARG A 18 2.024 10.800 13.367 1.00 0.00 O ATOM 208 CB ARG A 18 2.572 8.254 15.441 1.00 0.00 C ATOM 209 CG ARG A 18 3.725 7.453 14.832 1.00 0.00 C ATOM 210 CD ARG A 18 4.495 6.738 15.943 1.00 0.00 C ATOM 211 NE ARG A 18 3.669 5.693 16.537 1.00 0.00 N ATOM 212 CZ ARG A 18 4.179 4.821 17.399 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.441 4.889 17.725 1.00 0.00 N ATOM 214 NH2 ARG A 18 3.420 3.895 17.919 1.00 0.00 N ATOM 0 H ARG A 18 1.491 6.583 13.985 1.00 0.00 H new ATOM 0 HA ARG A 18 0.734 9.168 14.790 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.957 9.145 15.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.066 7.660 16.202 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.339 6.726 14.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.392 8.117 14.282 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.410 6.303 15.540 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.793 7.455 16.708 1.00 0.00 H new ATOM 0 HE ARG A 18 2.682 5.631 16.286 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.035 5.612 17.318 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.834 4.220 18.387 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.434 3.841 17.663 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.813 3.226 18.581 1.00 0.00 H new ATOM 228 N GLU A 19 3.114 9.034 12.497 1.00 0.00 N ATOM 229 CA GLU A 19 3.822 9.838 11.508 1.00 0.00 C ATOM 230 C GLU A 19 2.843 10.724 10.742 1.00 0.00 C ATOM 231 O GLU A 19 2.917 11.951 10.811 1.00 0.00 O ATOM 232 CB GLU A 19 4.568 8.928 10.528 1.00 0.00 C ATOM 233 CG GLU A 19 5.857 8.419 11.178 1.00 0.00 C ATOM 234 CD GLU A 19 6.915 9.518 11.173 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.579 10.633 10.812 1.00 0.00 O ATOM 236 OE2 GLU A 19 8.045 9.227 11.529 1.00 0.00 O ATOM 0 H GLU A 19 3.327 8.037 12.467 1.00 0.00 H new ATOM 0 HA GLU A 19 4.540 10.472 12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.936 8.087 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.801 9.475 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.657 8.101 12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.225 7.546 10.639 1.00 0.00 H new ATOM 243 N LEU A 20 1.927 10.095 10.012 1.00 0.00 N ATOM 244 CA LEU A 20 0.939 10.840 9.239 1.00 0.00 C ATOM 245 C LEU A 20 0.170 11.798 10.145 1.00 0.00 C ATOM 246 O LEU A 20 0.178 13.010 9.930 1.00 0.00 O ATOM 247 CB LEU A 20 -0.037 9.868 8.558 1.00 0.00 C ATOM 248 CG LEU A 20 0.463 9.522 7.151 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.790 8.766 7.245 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.573 8.643 6.447 1.00 0.00 C ATOM 0 H LEU A 20 1.848 9.081 9.939 1.00 0.00 H new ATOM 0 HA LEU A 20 1.458 11.419 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.132 8.959 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.029 10.317 8.500 1.00 0.00 H new ATOM 0 HG LEU A 20 0.611 10.441 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.142 8.522 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.529 9.390 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.646 7.847 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.220 8.395 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.720 7.726 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.518 9.181 6.376 1.00 0.00 H new ATOM 262 N ALA A 21 -0.491 11.247 11.159 1.00 0.00 N ATOM 263 CA ALA A 21 -1.260 12.065 12.090 1.00 0.00 C ATOM 264 C ALA A 21 -0.451 13.285 12.522 1.00 0.00 C ATOM 265 O ALA A 21 -1.002 14.368 12.722 1.00 0.00 O ATOM 266 CB ALA A 21 -1.640 11.240 13.321 1.00 0.00 C ATOM 0 H ALA A 21 -0.510 10.246 11.356 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.166 12.402 11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.214 11.859 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.242 10.385 13.014 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.735 10.888 13.816 1.00 0.00 H new ATOM 272 N LEU A 22 0.857 13.100 12.664 1.00 0.00 N ATOM 273 CA LEU A 22 1.734 14.191 13.072 1.00 0.00 C ATOM 274 C LEU A 22 1.931 15.174 11.921 1.00 0.00 C ATOM 275 O LEU A 22 1.915 16.388 12.120 1.00 0.00 O ATOM 276 CB LEU A 22 3.092 13.635 13.510 1.00 0.00 C ATOM 277 CG LEU A 22 3.897 14.728 14.226 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.523 14.762 15.711 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.393 14.432 14.093 1.00 0.00 C ATOM 0 H LEU A 22 1.331 12.211 12.504 1.00 0.00 H new ATOM 0 HA LEU A 22 1.270 14.714 13.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.949 12.783 14.174 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.644 13.274 12.642 1.00 0.00 H new ATOM 0 HG LEU A 22 3.669 15.692 13.772 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.098 15.540 16.213 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.459 14.974 15.813 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.746 13.796 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.964 15.209 14.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.614 13.465 14.544 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.668 14.412 13.038 1.00 0.00 H new ATOM 291 N ARG A 23 2.116 14.638 10.718 1.00 0.00 N ATOM 292 CA ARG A 23 2.314 15.477 9.542 1.00 0.00 C ATOM 293 C ARG A 23 1.102 16.374 9.317 1.00 0.00 C ATOM 294 O ARG A 23 1.240 17.576 9.090 1.00 0.00 O ATOM 295 CB ARG A 23 2.539 14.600 8.310 1.00 0.00 C ATOM 296 CG ARG A 23 3.929 13.964 8.383 1.00 0.00 C ATOM 297 CD ARG A 23 4.027 12.828 7.361 1.00 0.00 C ATOM 298 NE ARG A 23 3.265 13.162 6.163 1.00 0.00 N ATOM 299 CZ ARG A 23 3.747 14.004 5.255 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.921 14.548 5.428 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.047 14.286 4.190 1.00 0.00 N ATOM 0 H ARG A 23 2.133 13.635 10.533 1.00 0.00 H new ATOM 0 HA ARG A 23 3.190 16.104 9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.775 13.824 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.448 15.198 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.694 14.714 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.113 13.581 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.071 12.653 7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.648 11.903 7.796 1.00 0.00 H new ATOM 0 HE ARG A 23 2.347 12.742 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.468 14.327 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.291 15.194 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.130 13.860 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.417 14.932 3.493 1.00 0.00 H new ATOM 315 N ILE A 24 -0.085 15.782 9.382 1.00 0.00 N ATOM 316 CA ILE A 24 -1.317 16.535 9.184 1.00 0.00 C ATOM 317 C ILE A 24 -1.575 17.459 10.370 1.00 0.00 C ATOM 318 O ILE A 24 -2.013 18.597 10.200 1.00 0.00 O ATOM 319 CB ILE A 24 -2.495 15.575 9.016 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.135 14.506 7.981 1.00 0.00 C ATOM 321 CG2 ILE A 24 -3.725 16.351 8.538 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.341 13.593 7.748 1.00 0.00 C ATOM 0 H ILE A 24 -0.220 14.788 9.569 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.211 17.139 8.283 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.715 15.100 9.972 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.836 14.977 7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.284 13.920 8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.564 15.665 8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.982 17.114 9.273 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.506 16.827 7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.084 12.832 7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.619 13.111 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.180 14.185 7.381 1.00 0.00 H new ATOM 334 N ALA A 25 -1.302 16.960 11.572 1.00 0.00 N ATOM 335 CA ALA A 25 -1.508 17.750 12.781 1.00 0.00 C ATOM 336 C ALA A 25 -0.560 18.944 12.809 1.00 0.00 C ATOM 337 O ALA A 25 -0.969 20.068 13.105 1.00 0.00 O ATOM 338 CB ALA A 25 -1.274 16.881 14.018 1.00 0.00 C ATOM 0 H ALA A 25 -0.941 16.020 11.734 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.535 18.116 12.783 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.430 17.478 14.917 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.973 16.044 14.012 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.253 16.501 14.008 1.00 0.00 H new ATOM 344 N GLN A 26 0.708 18.696 12.500 1.00 0.00 N ATOM 345 CA GLN A 26 1.702 19.762 12.495 1.00 0.00 C ATOM 346 C GLN A 26 1.438 20.734 11.351 1.00 0.00 C ATOM 347 O GLN A 26 1.628 21.941 11.492 1.00 0.00 O ATOM 348 CB GLN A 26 3.105 19.166 12.348 1.00 0.00 C ATOM 349 CG GLN A 26 3.503 18.471 13.650 1.00 0.00 C ATOM 350 CD GLN A 26 3.754 19.508 14.740 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.205 20.616 14.451 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.486 19.213 15.983 1.00 0.00 N ATOM 0 H GLN A 26 1.069 17.775 12.252 1.00 0.00 H new ATOM 0 HA GLN A 26 1.634 20.303 13.439 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.125 18.454 11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.822 19.951 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.714 17.787 13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.400 17.872 13.493 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.112 18.294 16.220 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.650 19.902 16.717 1.00 0.00 H new ATOM 361 N SER A 27 0.997 20.200 10.216 1.00 0.00 N ATOM 362 CA SER A 27 0.710 21.030 9.052 1.00 0.00 C ATOM 363 C SER A 27 -0.546 21.866 9.281 1.00 0.00 C ATOM 364 O SER A 27 -0.506 23.094 9.197 1.00 0.00 O ATOM 365 CB SER A 27 0.520 20.149 7.819 1.00 0.00 C ATOM 366 OG SER A 27 1.754 19.524 7.492 1.00 0.00 O ATOM 0 H SER A 27 0.832 19.203 10.078 1.00 0.00 H new ATOM 0 HA SER A 27 1.553 21.702 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.243 19.395 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.170 20.750 6.979 1.00 0.00 H new ATOM 0 HG SER A 27 1.772 18.619 7.867 1.00 0.00 H new ATOM 372 N GLU A 28 -1.658 21.197 9.569 1.00 0.00 N ATOM 373 CA GLU A 28 -2.915 21.899 9.804 1.00 0.00 C ATOM 374 C GLU A 28 -2.767 22.877 10.964 1.00 0.00 C ATOM 375 O GLU A 28 -3.331 23.971 10.941 1.00 0.00 O ATOM 376 CB GLU A 28 -4.033 20.894 10.104 1.00 0.00 C ATOM 377 CG GLU A 28 -3.849 20.308 11.509 1.00 0.00 C ATOM 378 CD GLU A 28 -4.479 21.227 12.551 1.00 0.00 C ATOM 379 OE1 GLU A 28 -5.564 21.724 12.296 1.00 0.00 O ATOM 380 OE2 GLU A 28 -3.867 21.421 13.589 1.00 0.00 O ATOM 0 H GLU A 28 -1.715 20.181 9.645 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.174 22.459 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.004 21.385 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.023 20.094 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.306 19.320 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.788 20.180 11.721 1.00 0.00 H new ATOM 387 N ALA A 29 -1.998 22.478 11.972 1.00 0.00 N ATOM 388 CA ALA A 29 -1.777 23.333 13.132 1.00 0.00 C ATOM 389 C ALA A 29 -0.907 24.524 12.748 1.00 0.00 C ATOM 390 O ALA A 29 -1.134 25.646 13.203 1.00 0.00 O ATOM 391 CB ALA A 29 -1.094 22.538 14.246 1.00 0.00 C ATOM 0 H ALA A 29 -1.522 21.577 12.009 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.742 23.695 13.488 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.933 23.185 15.108 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.727 21.699 14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.135 22.163 13.890 1.00 0.00 H new ATOM 397 N GLU A 30 0.087 24.272 11.901 1.00 0.00 N ATOM 398 CA GLU A 30 0.986 25.330 11.453 1.00 0.00 C ATOM 399 C GLU A 30 0.327 26.154 10.351 1.00 0.00 C ATOM 400 O GLU A 30 0.667 27.318 10.146 1.00 0.00 O ATOM 401 CB GLU A 30 2.288 24.720 10.928 1.00 0.00 C ATOM 402 CG GLU A 30 3.130 24.221 12.105 1.00 0.00 C ATOM 403 CD GLU A 30 3.781 25.402 12.818 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.129 25.992 13.663 1.00 0.00 O ATOM 405 OE2 GLU A 30 4.923 25.699 12.508 1.00 0.00 O ATOM 0 H GLU A 30 0.289 23.350 11.513 1.00 0.00 H new ATOM 0 HA GLU A 30 1.206 25.981 12.299 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.068 23.896 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.846 25.463 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.503 23.666 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.897 23.533 11.749 1.00 0.00 H new ATOM 412 N LEU A 31 -0.616 25.538 9.646 1.00 0.00 N ATOM 413 CA LEU A 31 -1.320 26.221 8.567 1.00 0.00 C ATOM 414 C LEU A 31 -0.358 26.564 7.432 1.00 0.00 C ATOM 415 O LEU A 31 -0.478 27.613 6.799 1.00 0.00 O ATOM 416 CB LEU A 31 -1.972 27.503 9.097 1.00 0.00 C ATOM 417 CG LEU A 31 -3.180 27.875 8.225 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.428 27.148 8.735 1.00 0.00 C ATOM 419 CD2 LEU A 31 -3.413 29.387 8.289 1.00 0.00 C ATOM 0 H LEU A 31 -0.909 24.573 9.801 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.092 25.555 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.289 27.360 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.247 28.317 9.096 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.983 27.579 7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.283 27.414 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.266 26.071 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.623 27.441 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.271 29.650 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.606 29.682 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.528 29.907 7.923 1.00 0.00 H new ATOM 450 N SER A 33 1.239 23.608 5.354 1.00 0.00 N ATOM 451 CA SER A 33 1.028 22.543 4.382 1.00 0.00 C ATOM 452 C SER A 33 1.652 22.890 3.031 1.00 0.00 C ATOM 453 O SER A 33 0.979 22.864 2.001 1.00 0.00 O ATOM 454 CB SER A 33 -0.470 22.299 4.223 1.00 0.00 C ATOM 455 OG SER A 33 -1.127 22.610 5.444 1.00 0.00 O ATOM 0 HA SER A 33 1.514 21.638 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.867 22.914 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.654 21.260 3.952 1.00 0.00 H new ATOM 0 HG SER A 33 -0.516 23.106 6.027 1.00 0.00 H new ATOM 461 N ASP A 34 2.941 23.212 3.046 1.00 0.00 N ATOM 462 CA ASP A 34 3.645 23.561 1.817 1.00 0.00 C ATOM 463 C ASP A 34 3.311 22.570 0.706 1.00 0.00 C ATOM 464 O ASP A 34 3.352 22.911 -0.476 1.00 0.00 O ATOM 465 CB ASP A 34 5.155 23.564 2.062 1.00 0.00 C ATOM 466 CG ASP A 34 5.870 24.248 0.902 1.00 0.00 C ATOM 467 OD1 ASP A 34 5.588 25.410 0.660 1.00 0.00 O ATOM 468 OD2 ASP A 34 6.690 23.601 0.273 1.00 0.00 O ATOM 0 H ASP A 34 3.516 23.239 3.888 1.00 0.00 H new ATOM 0 HA ASP A 34 3.325 24.556 1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.379 24.082 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.516 22.541 2.170 1.00 0.00 H new ATOM 473 N GLU A 35 2.981 21.343 1.093 1.00 0.00 N ATOM 474 CA GLU A 35 2.643 20.310 0.122 1.00 0.00 C ATOM 475 C GLU A 35 1.509 20.779 -0.785 1.00 0.00 C ATOM 476 O GLU A 35 1.562 20.601 -2.003 1.00 0.00 O ATOM 477 CB GLU A 35 2.223 19.033 0.849 1.00 0.00 C ATOM 478 CG GLU A 35 2.202 17.866 -0.137 1.00 0.00 C ATOM 479 CD GLU A 35 3.626 17.496 -0.538 1.00 0.00 C ATOM 480 OE1 GLU A 35 4.218 16.673 0.142 1.00 0.00 O ATOM 481 OE2 GLU A 35 4.105 18.042 -1.518 1.00 0.00 O ATOM 0 H GLU A 35 2.940 21.041 2.066 1.00 0.00 H new ATOM 0 HA GLU A 35 3.522 20.108 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.916 18.822 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.237 19.164 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.708 17.006 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.625 18.137 -1.021 1.00 0.00 H new ATOM 488 N ALA A 36 0.486 21.377 -0.185 1.00 0.00 N ATOM 489 CA ALA A 36 -0.654 21.868 -0.951 1.00 0.00 C ATOM 490 C ALA A 36 -0.209 22.927 -1.954 1.00 0.00 C ATOM 491 O ALA A 36 -0.592 22.889 -3.123 1.00 0.00 O ATOM 492 CB ALA A 36 -1.701 22.463 -0.007 1.00 0.00 C ATOM 0 H ALA A 36 0.422 21.533 0.821 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.091 21.030 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.549 22.827 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.040 21.696 0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.261 23.290 0.550 1.00 0.00 H new ATOM 498 N GLN A 37 0.602 23.871 -1.488 1.00 0.00 N ATOM 499 CA GLN A 37 1.095 24.937 -2.354 1.00 0.00 C ATOM 500 C GLN A 37 1.816 24.351 -3.563 1.00 0.00 C ATOM 501 O GLN A 37 1.394 24.544 -4.703 1.00 0.00 O ATOM 502 CB GLN A 37 2.050 25.842 -1.574 1.00 0.00 C ATOM 503 CG GLN A 37 1.420 26.219 -0.233 1.00 0.00 C ATOM 504 CD GLN A 37 0.049 26.848 -0.460 1.00 0.00 C ATOM 505 OE1 GLN A 37 -0.878 26.617 0.317 1.00 0.00 O ATOM 506 NE2 GLN A 37 -0.135 27.635 -1.484 1.00 0.00 N ATOM 0 H GLN A 37 0.930 23.920 -0.523 1.00 0.00 H new ATOM 0 HA GLN A 37 0.244 25.523 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.999 25.331 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.267 26.741 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.324 25.333 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.066 26.917 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.634 27.825 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.048 28.061 -1.642 1.00 0.00 H new ATOM 515 N ALA A 38 2.906 23.637 -3.306 1.00 0.00 N ATOM 516 CA ALA A 38 3.678 23.026 -4.381 1.00 0.00 C ATOM 517 C ALA A 38 2.773 22.200 -5.289 1.00 0.00 C ATOM 518 O ALA A 38 2.836 22.314 -6.513 1.00 0.00 O ATOM 519 CB ALA A 38 4.772 22.131 -3.796 1.00 0.00 C ATOM 0 H ALA A 38 3.273 23.468 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 38 4.136 23.821 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.344 21.679 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.437 22.729 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.316 21.347 -3.192 1.00 0.00 H new ATOM 525 N ASP A 39 1.934 21.369 -4.680 1.00 0.00 N ATOM 526 CA ASP A 39 1.020 20.526 -5.444 1.00 0.00 C ATOM 527 C ASP A 39 0.185 21.369 -6.403 1.00 0.00 C ATOM 528 O ASP A 39 0.292 21.227 -7.621 1.00 0.00 O ATOM 529 CB ASP A 39 0.096 19.765 -4.493 1.00 0.00 C ATOM 530 CG ASP A 39 -0.745 18.761 -5.277 1.00 0.00 C ATOM 531 OD1 ASP A 39 -0.406 18.499 -6.419 1.00 0.00 O ATOM 532 OD2 ASP A 39 -1.715 18.271 -4.723 1.00 0.00 O ATOM 0 H ASP A 39 1.867 21.261 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 39 1.610 19.816 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.685 19.247 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.554 20.464 -3.967 1.00 0.00 H new ATOM 537 N LEU A 40 -0.647 22.244 -5.847 1.00 0.00 N ATOM 538 CA LEU A 40 -1.494 23.103 -6.667 1.00 0.00 C ATOM 539 C LEU A 40 -0.687 23.724 -7.801 1.00 0.00 C ATOM 540 O LEU A 40 -1.088 23.671 -8.964 1.00 0.00 O ATOM 541 CB LEU A 40 -2.105 24.212 -5.805 1.00 0.00 C ATOM 542 CG LEU A 40 -3.177 23.622 -4.879 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.306 24.489 -3.624 1.00 0.00 C ATOM 544 CD2 LEU A 40 -4.526 23.583 -5.606 1.00 0.00 C ATOM 0 H LEU A 40 -0.753 22.377 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.291 22.495 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.327 24.695 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.545 24.979 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.886 22.610 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.068 24.068 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.350 24.516 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.592 25.502 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.284 23.163 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.814 24.594 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.440 22.964 -6.499 1.00 0.00 H new ATOM 556 N ALA A 41 0.453 24.314 -7.455 1.00 0.00 N ATOM 557 CA ALA A 41 1.309 24.944 -8.453 1.00 0.00 C ATOM 558 C ALA A 41 1.725 23.933 -9.517 1.00 0.00 C ATOM 559 O ALA A 41 1.691 24.225 -10.712 1.00 0.00 O ATOM 560 CB ALA A 41 2.556 25.524 -7.782 1.00 0.00 C ATOM 0 H ALA A 41 0.803 24.369 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 41 0.748 25.747 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.190 25.993 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.259 26.269 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.109 24.725 -7.289 1.00 0.00 H new ATOM 566 N LEU A 42 2.116 22.742 -9.075 1.00 0.00 N ATOM 567 CA LEU A 42 2.536 21.695 -9.999 1.00 0.00 C ATOM 568 C LEU A 42 1.387 21.308 -10.926 1.00 0.00 C ATOM 569 O LEU A 42 1.603 20.965 -12.088 1.00 0.00 O ATOM 570 CB LEU A 42 3.003 20.463 -9.218 1.00 0.00 C ATOM 571 CG LEU A 42 4.358 20.750 -8.554 1.00 0.00 C ATOM 572 CD1 LEU A 42 4.525 19.854 -7.324 1.00 0.00 C ATOM 573 CD2 LEU A 42 5.493 20.464 -9.543 1.00 0.00 C ATOM 0 H LEU A 42 2.151 22.479 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 42 3.361 22.076 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.265 20.200 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.090 19.608 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 42 4.393 21.797 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.487 20.058 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.723 20.057 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.484 18.808 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.451 20.669 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.456 19.418 -9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.380 21.101 -10.420 1.00 0.00 H new ATOM 585 N ARG A 43 0.166 21.367 -10.404 1.00 0.00 N ATOM 586 CA ARG A 43 -1.009 21.022 -11.195 1.00 0.00 C ATOM 587 C ARG A 43 -1.388 22.174 -12.121 1.00 0.00 C ATOM 588 O ARG A 43 -1.878 21.958 -13.229 1.00 0.00 O ATOM 589 CB ARG A 43 -2.186 20.701 -10.272 1.00 0.00 C ATOM 590 CG ARG A 43 -3.395 20.283 -11.112 1.00 0.00 C ATOM 591 CD ARG A 43 -4.486 19.727 -10.197 1.00 0.00 C ATOM 592 NE ARG A 43 -5.561 19.138 -10.990 1.00 0.00 N ATOM 593 CZ ARG A 43 -5.381 18.000 -11.653 1.00 0.00 C ATOM 594 NH1 ARG A 43 -4.229 17.390 -11.602 1.00 0.00 N ATOM 595 NH2 ARG A 43 -6.358 17.494 -12.354 1.00 0.00 N ATOM 0 H ARG A 43 -0.035 21.648 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.772 20.146 -11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.914 19.901 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.435 21.572 -9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.776 21.138 -11.671 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.100 19.530 -11.843 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.063 18.975 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.883 20.524 -9.568 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.465 19.608 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.466 17.786 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.091 16.517 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.258 17.972 -12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.221 16.621 -12.863 1.00 0.00 H new ATOM 609 N ARG A 44 -1.158 23.397 -11.657 1.00 0.00 N ATOM 610 CA ARG A 44 -1.476 24.580 -12.446 1.00 0.00 C ATOM 611 C ARG A 44 -0.382 24.844 -13.479 1.00 0.00 C ATOM 612 O ARG A 44 -0.385 25.875 -14.151 1.00 0.00 O ATOM 613 CB ARG A 44 -1.620 25.792 -11.518 1.00 0.00 C ATOM 614 CG ARG A 44 -2.749 26.696 -12.017 1.00 0.00 C ATOM 615 CD ARG A 44 -2.640 28.066 -11.347 1.00 0.00 C ATOM 616 NE ARG A 44 -3.803 28.882 -11.675 1.00 0.00 N ATOM 617 CZ ARG A 44 -4.061 30.007 -11.017 1.00 0.00 C ATOM 618 NH1 ARG A 44 -3.267 30.400 -10.058 1.00 0.00 N ATOM 619 NH2 ARG A 44 -5.108 30.720 -11.329 1.00 0.00 N ATOM 0 H ARG A 44 -0.754 23.594 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.416 24.411 -12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.830 25.460 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.684 26.349 -11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.691 26.804 -13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.716 26.246 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.565 27.945 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.730 28.568 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.429 28.584 -12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.448 29.843 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.466 31.264 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.729 30.414 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.306 31.584 -10.824 1.00 0.00 H new ATOM 633 N SER A 45 0.554 23.908 -13.592 1.00 0.00 N ATOM 634 CA SER A 45 1.654 24.050 -14.540 1.00 0.00 C ATOM 635 C SER A 45 1.141 24.036 -15.976 1.00 0.00 C ATOM 636 O SER A 45 1.820 24.500 -16.892 1.00 0.00 O ATOM 637 CB SER A 45 2.658 22.913 -14.345 1.00 0.00 C ATOM 638 OG SER A 45 2.017 21.670 -14.602 1.00 0.00 O ATOM 0 H SER A 45 0.574 23.048 -13.043 1.00 0.00 H new ATOM 0 HA SER A 45 2.142 25.007 -14.355 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.507 23.043 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.050 22.929 -13.328 1.00 0.00 H new ATOM 0 HG SER A 45 2.024 21.124 -13.788 1.00 0.00 H new ATOM 644 N LEU A 46 -0.060 23.503 -16.166 1.00 0.00 N ATOM 645 CA LEU A 46 -0.651 23.438 -17.499 1.00 0.00 C ATOM 646 C LEU A 46 -0.636 24.817 -18.153 1.00 0.00 C ATOM 647 O LEU A 46 -0.923 24.953 -19.343 1.00 0.00 O ATOM 648 CB LEU A 46 -2.094 22.922 -17.409 1.00 0.00 C ATOM 649 CG LEU A 46 -2.106 21.386 -17.380 1.00 0.00 C ATOM 650 CD1 LEU A 46 -1.687 20.825 -18.747 1.00 0.00 C ATOM 651 CD2 LEU A 46 -1.139 20.886 -16.302 1.00 0.00 C ATOM 0 H LEU A 46 -0.640 23.113 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.062 22.752 -18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.573 23.314 -16.512 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.671 23.282 -18.261 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.116 21.045 -17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.700 19.736 -18.713 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.382 21.172 -19.511 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.681 21.169 -18.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.148 19.796 -16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.131 21.236 -16.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.448 21.269 -15.330 1.00 0.00 H new ATOM 663 N ASP A 47 -0.299 25.835 -17.369 1.00 0.00 N ATOM 664 CA ASP A 47 -0.248 27.198 -17.884 1.00 0.00 C ATOM 665 C ASP A 47 1.035 27.421 -18.679 1.00 0.00 C ATOM 666 O ASP A 47 1.297 28.526 -19.155 1.00 0.00 O ATOM 667 CB ASP A 47 -0.315 28.197 -16.727 1.00 0.00 C ATOM 668 CG ASP A 47 0.771 27.883 -15.703 1.00 0.00 C ATOM 669 OD1 ASP A 47 1.649 27.099 -16.022 1.00 0.00 O ATOM 670 OD2 ASP A 47 0.706 28.429 -14.614 1.00 0.00 O ATOM 0 H ASP A 47 -0.059 25.744 -16.382 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.102 27.350 -18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.188 29.212 -17.104 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.296 28.153 -16.254 1.00 0.00 H new ATOM 675 N SER A 48 1.832 26.364 -18.816 1.00 0.00 N ATOM 676 CA SER A 48 3.090 26.448 -19.554 1.00 0.00 C ATOM 677 C SER A 48 3.018 25.617 -20.831 1.00 0.00 C ATOM 678 O SER A 48 3.633 24.556 -20.928 1.00 0.00 O ATOM 679 CB SER A 48 4.239 25.944 -18.681 1.00 0.00 C ATOM 680 OG SER A 48 4.013 24.580 -18.348 1.00 0.00 O ATOM 0 H SER A 48 1.630 25.443 -18.427 1.00 0.00 H new ATOM 0 HA SER A 48 3.265 27.490 -19.821 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.186 26.049 -19.210 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.312 26.544 -17.774 1.00 0.00 H new ATOM 0 HG SER A 48 3.347 24.524 -17.631 1.00 0.00 H new ATOM 894 N THR A 62 3.600 41.972 -48.520 1.00 0.00 N ATOM 895 CA THR A 62 4.207 42.739 -49.600 1.00 0.00 C ATOM 896 C THR A 62 3.318 42.702 -50.843 1.00 0.00 C ATOM 897 O THR A 62 2.645 41.703 -51.099 1.00 0.00 O ATOM 898 CB THR A 62 5.584 42.161 -49.938 1.00 0.00 C ATOM 899 OG1 THR A 62 5.421 40.952 -50.665 1.00 0.00 O ATOM 900 CG2 THR A 62 6.353 41.881 -48.647 1.00 0.00 C ATOM 0 HA THR A 62 4.317 43.773 -49.274 1.00 0.00 H new ATOM 0 HB THR A 62 6.141 42.877 -50.542 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.301 40.581 -50.884 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.333 41.470 -48.889 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.477 42.809 -48.089 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.798 41.164 -48.041 1.00 0.00 H new ATOM 908 N PRO A 63 3.300 43.759 -51.616 1.00 0.00 N ATOM 909 CA PRO A 63 2.474 43.833 -52.852 1.00 0.00 C ATOM 910 C PRO A 63 2.435 42.503 -53.601 1.00 0.00 C ATOM 911 O PRO A 63 1.389 42.093 -54.104 1.00 0.00 O ATOM 912 CB PRO A 63 3.176 44.911 -53.676 1.00 0.00 C ATOM 913 CG PRO A 63 3.796 45.831 -52.671 1.00 0.00 C ATOM 914 CD PRO A 63 4.063 45.003 -51.405 1.00 0.00 C ATOM 0 HA PRO A 63 1.429 44.060 -52.641 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.931 44.477 -54.331 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.469 45.442 -54.313 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.723 46.254 -53.057 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.131 46.666 -52.452 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.127 44.801 -51.279 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.730 45.527 -50.509 1.00 0.00 H new ATOM 922 N GLU A 64 3.582 41.835 -53.671 1.00 0.00 N ATOM 923 CA GLU A 64 3.666 40.553 -54.363 1.00 0.00 C ATOM 924 C GLU A 64 2.865 39.486 -53.623 1.00 0.00 C ATOM 925 O GLU A 64 2.119 38.722 -54.236 1.00 0.00 O ATOM 926 CB GLU A 64 5.128 40.113 -54.471 1.00 0.00 C ATOM 927 CG GLU A 64 5.244 38.972 -55.485 1.00 0.00 C ATOM 928 CD GLU A 64 6.613 38.310 -55.369 1.00 0.00 C ATOM 929 OE1 GLU A 64 7.167 38.325 -54.282 1.00 0.00 O ATOM 930 OE2 GLU A 64 7.087 37.797 -56.370 1.00 0.00 O ATOM 0 H GLU A 64 4.459 42.156 -53.261 1.00 0.00 H new ATOM 0 HA GLU A 64 3.247 40.675 -55.362 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.750 40.953 -54.780 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.494 39.787 -53.497 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.459 38.237 -55.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.101 39.356 -56.495 1.00 0.00 H new ATOM 937 N GLN A 65 3.024 39.439 -52.305 1.00 0.00 N ATOM 938 CA GLN A 65 2.311 38.458 -51.495 1.00 0.00 C ATOM 939 C GLN A 65 0.802 38.640 -51.635 1.00 0.00 C ATOM 940 O GLN A 65 0.104 37.747 -52.116 1.00 0.00 O ATOM 941 CB GLN A 65 2.708 38.603 -50.023 1.00 0.00 C ATOM 942 CG GLN A 65 4.128 38.069 -49.820 1.00 0.00 C ATOM 943 CD GLN A 65 4.481 38.080 -48.336 1.00 0.00 C ATOM 944 OE1 GLN A 65 5.349 38.841 -47.910 1.00 0.00 O ATOM 945 NE2 GLN A 65 3.856 37.276 -47.519 1.00 0.00 N ATOM 0 H GLN A 65 3.635 40.063 -51.778 1.00 0.00 H new ATOM 0 HA GLN A 65 2.581 37.463 -51.848 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.656 39.650 -49.723 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.009 38.055 -49.391 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.204 37.055 -50.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.839 38.681 -50.376 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.137 36.646 -47.874 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.087 37.278 -46.525 1.00 0.00 H new ATOM 954 N MET A 66 0.305 39.797 -51.212 1.00 0.00 N ATOM 955 CA MET A 66 -1.124 40.079 -51.295 1.00 0.00 C ATOM 956 C MET A 66 -1.626 39.880 -52.722 1.00 0.00 C ATOM 957 O MET A 66 -2.684 39.290 -52.940 1.00 0.00 O ATOM 958 CB MET A 66 -1.406 41.514 -50.845 1.00 0.00 C ATOM 959 CG MET A 66 -0.594 42.490 -51.699 1.00 0.00 C ATOM 960 SD MET A 66 -0.622 44.129 -50.930 1.00 0.00 S ATOM 961 CE MET A 66 -2.275 44.613 -51.485 1.00 0.00 C ATOM 0 H MET A 66 0.865 40.550 -50.811 1.00 0.00 H new ATOM 0 HA MET A 66 -1.649 39.387 -50.637 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.470 41.732 -50.938 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.147 41.633 -49.793 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.433 42.139 -51.795 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.009 42.541 -52.706 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.198 45.472 -52.152 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.739 43.781 -52.016 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.886 44.878 -50.622 1.00 0.00 H new ATOM 971 N ALA A 67 -0.862 40.377 -53.689 1.00 0.00 N ATOM 972 CA ALA A 67 -1.243 40.245 -55.091 1.00 0.00 C ATOM 973 C ALA A 67 -1.442 38.778 -55.454 1.00 0.00 C ATOM 974 O ALA A 67 -2.441 38.411 -56.073 1.00 0.00 O ATOM 975 CB ALA A 67 -0.162 40.853 -55.987 1.00 0.00 C ATOM 0 H ALA A 67 0.017 40.870 -53.531 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.182 40.777 -55.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.455 40.750 -57.032 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.042 41.909 -55.746 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.782 40.334 -55.822 1.00 0.00 H new ATOM 981 N LYS A 68 -0.485 37.942 -55.063 1.00 0.00 N ATOM 982 CA LYS A 68 -0.566 36.515 -55.351 1.00 0.00 C ATOM 983 C LYS A 68 -1.720 35.879 -54.582 1.00 0.00 C ATOM 984 O LYS A 68 -2.643 35.322 -55.178 1.00 0.00 O ATOM 985 CB LYS A 68 0.747 35.829 -54.965 1.00 0.00 C ATOM 986 CG LYS A 68 1.827 36.177 -55.991 1.00 0.00 C ATOM 987 CD LYS A 68 3.202 35.791 -55.440 1.00 0.00 C ATOM 988 CE LYS A 68 3.247 34.283 -55.179 1.00 0.00 C ATOM 989 NZ LYS A 68 2.601 33.985 -53.869 1.00 0.00 N ATOM 0 H LYS A 68 0.350 38.226 -54.550 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.742 36.388 -56.419 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.058 36.150 -53.971 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.606 34.749 -54.922 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.638 35.650 -56.926 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.800 37.243 -56.215 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.981 36.071 -56.150 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.401 36.336 -54.517 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.734 33.749 -55.979 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.280 33.935 -55.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.214 33.354 -53.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.453 34.871 -53.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.684 33.522 -54.031 1.00 0.00 H new ATOM 1003 N GLU A 69 -1.662 35.966 -53.257 1.00 0.00 N ATOM 1004 CA GLU A 69 -2.709 35.396 -52.418 1.00 0.00 C ATOM 1005 C GLU A 69 -4.086 35.789 -52.942 1.00 0.00 C ATOM 1006 O GLU A 69 -4.961 34.940 -53.114 1.00 0.00 O ATOM 1007 CB GLU A 69 -2.550 35.886 -50.978 1.00 0.00 C ATOM 1008 CG GLU A 69 -1.256 35.322 -50.387 1.00 0.00 C ATOM 1009 CD GLU A 69 -0.919 36.043 -49.086 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -1.738 36.828 -48.638 1.00 0.00 O ATOM 1011 OE2 GLU A 69 0.152 35.799 -48.557 1.00 0.00 O ATOM 0 H GLU A 69 -0.907 36.422 -52.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.618 34.310 -52.443 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.529 36.976 -50.954 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.404 35.570 -50.379 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.366 34.253 -50.202 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.440 35.440 -51.100 1.00 0.00 H new ATOM 1018 N MET A 70 -4.271 37.081 -53.193 1.00 0.00 N ATOM 1019 CA MET A 70 -5.547 37.575 -53.698 1.00 0.00 C ATOM 1020 C MET A 70 -5.911 36.877 -55.005 1.00 0.00 C ATOM 1021 O MET A 70 -6.934 36.198 -55.094 1.00 0.00 O ATOM 1022 CB MET A 70 -5.468 39.086 -53.929 1.00 0.00 C ATOM 1023 CG MET A 70 -5.467 39.809 -52.581 1.00 0.00 C ATOM 1024 SD MET A 70 -4.935 41.523 -52.816 1.00 0.00 S ATOM 1025 CE MET A 70 -5.691 42.203 -51.319 1.00 0.00 C ATOM 0 H MET A 70 -3.560 37.800 -53.056 1.00 0.00 H new ATOM 0 HA MET A 70 -6.318 37.361 -52.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.564 39.333 -54.487 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.314 39.417 -54.531 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.464 39.784 -52.142 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.799 39.302 -51.885 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.484 43.272 -51.260 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.769 42.043 -51.351 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.276 41.704 -50.443 1.00 0.00 H new ATOM 1035 N SER A 71 -5.066 37.047 -56.016 1.00 0.00 N ATOM 1036 CA SER A 71 -5.308 36.427 -57.315 1.00 0.00 C ATOM 1037 C SER A 71 -5.494 34.921 -57.162 1.00 0.00 C ATOM 1038 O SER A 71 -6.234 34.297 -57.924 1.00 0.00 O ATOM 1039 CB SER A 71 -4.133 36.706 -58.253 1.00 0.00 C ATOM 1040 OG SER A 71 -4.150 38.076 -58.631 1.00 0.00 O ATOM 0 H SER A 71 -4.213 37.604 -55.963 1.00 0.00 H new ATOM 0 HA SER A 71 -6.218 36.853 -57.737 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.192 36.465 -57.758 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.200 36.072 -59.137 1.00 0.00 H new ATOM 0 HG SER A 71 -3.643 38.602 -57.978 1.00 0.00 H new ATOM 1046 N GLU A 72 -4.819 34.344 -56.174 1.00 0.00 N ATOM 1047 CA GLU A 72 -4.915 32.909 -55.930 1.00 0.00 C ATOM 1048 C GLU A 72 -6.187 32.581 -55.155 1.00 0.00 C ATOM 1049 O GLU A 72 -6.760 31.503 -55.312 1.00 0.00 O ATOM 1050 CB GLU A 72 -3.696 32.432 -55.137 1.00 0.00 C ATOM 1051 CG GLU A 72 -3.844 30.943 -54.819 1.00 0.00 C ATOM 1052 CD GLU A 72 -2.516 30.383 -54.322 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -1.514 30.618 -54.977 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -2.521 29.725 -53.294 1.00 0.00 O ATOM 0 H GLU A 72 -4.203 34.844 -55.533 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.947 32.397 -56.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.786 32.603 -55.711 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.603 33.004 -54.214 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.615 30.799 -54.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.166 30.403 -55.709 1.00 0.00 H new ATOM 1061 N PHE A 73 -6.625 33.518 -54.321 1.00 0.00 N ATOM 1062 CA PHE A 73 -7.833 33.316 -53.528 1.00 0.00 C ATOM 1063 C PHE A 73 -9.077 33.541 -54.381 1.00 0.00 C ATOM 1064 O PHE A 73 -9.995 32.722 -54.386 1.00 0.00 O ATOM 1065 CB PHE A 73 -7.845 34.281 -52.339 1.00 0.00 C ATOM 1066 CG PHE A 73 -8.865 33.822 -51.325 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -8.527 32.837 -50.389 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -10.149 34.380 -51.321 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -9.474 32.411 -49.449 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -11.095 33.953 -50.382 1.00 0.00 C ATOM 1071 CZ PHE A 73 -10.757 32.969 -49.445 1.00 0.00 C ATOM 0 H PHE A 73 -6.166 34.418 -54.177 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.838 32.289 -53.162 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.856 34.323 -51.882 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.083 35.289 -52.678 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.537 32.406 -50.392 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.410 35.140 -52.043 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.214 31.651 -48.727 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.086 34.383 -50.380 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.486 32.641 -48.719 1.00 0.00 H new ATOM 1081 N LEU A 74 -9.098 34.656 -55.104 1.00 0.00 N ATOM 1082 CA LEU A 74 -10.233 34.981 -55.959 1.00 0.00 C ATOM 1083 C LEU A 74 -10.470 33.869 -56.977 1.00 0.00 C ATOM 1084 O LEU A 74 -11.607 33.601 -57.364 1.00 0.00 O ATOM 1085 CB LEU A 74 -9.975 36.300 -56.692 1.00 0.00 C ATOM 1086 CG LEU A 74 -9.730 37.421 -55.673 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -8.996 38.579 -56.354 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -11.067 37.926 -55.122 1.00 0.00 C ATOM 0 H LEU A 74 -8.347 35.346 -55.115 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.119 35.082 -55.333 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.112 36.199 -57.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.828 36.549 -57.323 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.125 37.032 -54.854 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.822 39.375 -55.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.040 38.226 -56.742 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.602 38.961 -57.175 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.886 38.722 -54.399 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.676 38.311 -55.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.593 37.105 -54.634 1.00 0.00 H new