USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 599 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 67 TYR OH : rot 70:sc= 1.13 USER MOD Set 1.2: A 87 MET CE :methyl 150:sc= -0.459 (180deg=-4.72!) USER MOD Set 2.1: A 60 HIS : no HD1:sc= 0.101 K(o=1.5,f=-2.1) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 171:sc= 1.37 (180deg=1.08) USER MOD Set 3.1: A 44 ASN : amide:sc= 0.272 K(o=-1.4,f=-2.7) USER MOD Set 3.2: A 47 GLN : amide:sc= -1.66 K(o=-1.4,f=-2.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 22 GLN : amide:sc= 0.708 K(o=0.71,f=-0.55) USER MOD Single : A 23 GLN : amide:sc= -0.0134 K(o=-0.013,f=-8.3!) USER MOD Single : A 30 GLN : amide:sc= -1.68! C(o=-1.7!,f=-5.4!) USER MOD Single : A 33 ASN : amide:sc= 0.977 K(o=0.98,f=-0.34) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 37 GLN : amide:sc= 0.806 K(o=0.81,f=-0.28) USER MOD Single : A 38 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.22) USER MOD Single : A 40 HIS : no HD1:sc=-0.00662 X(o=-0.0066,f=-0.063) USER MOD Single : A 43 SER OG : rot 76:sc= 1.02 USER MOD Single : A 56 MET CE :methyl -138:sc= -3.07 (180deg=-6.65!) USER MOD Single : A 65 ASN : amide:sc=-0.00558 K(o=-0.0056,f=-1.4) USER MOD Single : A 70 THR OG1 : rot -29:sc= 0.578 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.576 USER MOD Single : A 84 ASN : amide:sc= 0.0572 X(o=0.057,f=-0.022) USER MOD Single : A 85 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.319 0.920 -2.703 1.00 51.23 N ATOM 69 CA ALA A 18 8.463 -0.404 -2.155 1.00 24.13 C ATOM 70 C ALA A 18 7.700 -1.425 -2.998 1.00 53.03 C ATOM 71 O ALA A 18 7.886 -2.621 -2.861 1.00 33.13 O ATOM 72 CB ALA A 18 8.088 -0.456 -0.713 1.00 12.22 C ATOM 0 HA ALA A 18 9.519 -0.672 -2.198 1.00 24.13 H new ATOM 0 HB1 ALA A 18 8.212 -1.473 -0.341 1.00 12.22 H new ATOM 0 HB2 ALA A 18 8.730 0.218 -0.146 1.00 12.22 H new ATOM 0 HB3 ALA A 18 7.048 -0.151 -0.596 1.00 12.22 H new ATOM 78 N ALA A 19 6.810 -0.937 -3.852 1.00 64.03 N ATOM 79 CA ALA A 19 6.104 -1.795 -4.794 1.00 41.02 C ATOM 80 C ALA A 19 6.992 -2.026 -6.016 1.00 21.44 C ATOM 81 O ALA A 19 6.831 -2.996 -6.741 1.00 22.33 O ATOM 82 CB ALA A 19 4.777 -1.170 -5.202 1.00 74.41 C ATOM 0 H ALA A 19 6.560 0.050 -3.912 1.00 64.03 H new ATOM 0 HA ALA A 19 5.885 -2.751 -4.319 1.00 41.02 H new ATOM 0 HB1 ALA A 19 4.266 -1.827 -5.906 1.00 74.41 H new ATOM 0 HB2 ALA A 19 4.154 -1.030 -4.319 1.00 74.41 H new ATOM 0 HB3 ALA A 19 4.959 -0.205 -5.674 1.00 74.41 H new ATOM 88 N ASP A 20 7.961 -1.134 -6.195 1.00 61.05 N ATOM 89 CA ASP A 20 8.954 -1.203 -7.288 1.00 24.24 C ATOM 90 C ASP A 20 9.914 -2.388 -7.027 1.00 35.34 C ATOM 91 O ASP A 20 10.502 -2.975 -7.924 1.00 30.44 O ATOM 92 CB ASP A 20 9.694 0.142 -7.351 1.00 0.25 C ATOM 93 CG ASP A 20 10.768 0.227 -8.406 1.00 45.45 C ATOM 94 OD1 ASP A 20 10.445 0.095 -9.605 1.00 43.01 O ATOM 95 OD2 ASP A 20 11.943 0.461 -8.025 1.00 4.40 O ATOM 0 H ASP A 20 8.090 -0.328 -5.583 1.00 61.05 H new ATOM 0 HA ASP A 20 8.476 -1.377 -8.252 1.00 24.24 H new ATOM 0 HB2 ASP A 20 8.966 0.933 -7.530 1.00 0.25 H new ATOM 0 HB3 ASP A 20 10.144 0.338 -6.378 1.00 0.25 H new ATOM 100 N TYR A 21 9.964 -2.767 -5.755 1.00 41.32 N ATOM 101 CA TYR A 21 10.704 -3.927 -5.217 1.00 51.21 C ATOM 102 C TYR A 21 10.253 -5.214 -5.878 1.00 64.20 C ATOM 103 O TYR A 21 11.043 -6.136 -6.051 1.00 24.34 O ATOM 104 CB TYR A 21 10.409 -3.956 -3.726 1.00 55.40 C ATOM 105 CG TYR A 21 10.954 -5.102 -2.963 1.00 0.14 C ATOM 106 CD1 TYR A 21 12.302 -5.222 -2.752 1.00 52.34 C ATOM 107 CD2 TYR A 21 10.105 -6.056 -2.424 1.00 35.41 C ATOM 108 CE1 TYR A 21 12.804 -6.256 -2.033 1.00 71.32 C ATOM 109 CE2 TYR A 21 10.595 -7.098 -1.687 1.00 63.01 C ATOM 110 CZ TYR A 21 11.943 -7.200 -1.492 1.00 44.24 C ATOM 111 OH TYR A 21 12.434 -8.224 -0.735 1.00 34.23 O ATOM 0 H TYR A 21 9.468 -2.255 -5.026 1.00 41.32 H new ATOM 0 HA TYR A 21 11.773 -3.837 -5.411 1.00 51.21 H new ATOM 0 HB2 TYR A 21 10.797 -3.038 -3.284 1.00 55.40 H new ATOM 0 HB3 TYR A 21 9.327 -3.942 -3.593 1.00 55.40 H new ATOM 0 HD1 TYR A 21 12.974 -4.483 -3.164 1.00 52.34 H new ATOM 0 HD2 TYR A 21 9.041 -5.975 -2.589 1.00 35.41 H new ATOM 0 HE1 TYR A 21 13.870 -6.345 -1.882 1.00 71.32 H new ATOM 0 HE2 TYR A 21 9.924 -7.831 -1.264 1.00 63.01 H new ATOM 0 HH TYR A 21 11.694 -8.792 -0.434 1.00 34.23 H new ATOM 121 N GLN A 22 8.995 -5.253 -6.261 1.00 50.33 N ATOM 122 CA GLN A 22 8.415 -6.395 -6.955 1.00 31.13 C ATOM 123 C GLN A 22 9.110 -6.507 -8.313 1.00 23.44 C ATOM 124 O GLN A 22 9.609 -7.566 -8.697 1.00 12.34 O ATOM 125 CB GLN A 22 6.890 -6.131 -7.095 1.00 4.23 C ATOM 126 CG GLN A 22 5.986 -7.239 -7.676 1.00 3.22 C ATOM 127 CD GLN A 22 6.179 -7.520 -9.163 1.00 64.13 C ATOM 128 OE1 GLN A 22 5.573 -6.873 -10.013 1.00 4.42 O ATOM 129 NE2 GLN A 22 6.955 -8.508 -9.484 1.00 53.41 N ATOM 0 H GLN A 22 8.337 -4.490 -6.101 1.00 50.33 H new ATOM 0 HA GLN A 22 8.552 -7.335 -6.420 1.00 31.13 H new ATOM 0 HB2 GLN A 22 6.508 -5.881 -6.105 1.00 4.23 H new ATOM 0 HB3 GLN A 22 6.766 -5.245 -7.718 1.00 4.23 H new ATOM 0 HG2 GLN A 22 6.166 -8.160 -7.122 1.00 3.22 H new ATOM 0 HG3 GLN A 22 4.945 -6.963 -7.507 1.00 3.22 H new ATOM 0 HE21 GLN A 22 7.446 -9.028 -8.757 1.00 53.41 H new ATOM 0 HE22 GLN A 22 7.074 -8.765 -10.464 1.00 53.41 H new ATOM 138 N GLN A 23 9.242 -5.370 -8.969 1.00 34.22 N ATOM 139 CA GLN A 23 9.816 -5.293 -10.281 1.00 65.13 C ATOM 140 C GLN A 23 11.318 -5.607 -10.221 1.00 42.43 C ATOM 141 O GLN A 23 11.881 -6.119 -11.166 1.00 65.13 O ATOM 142 CB GLN A 23 9.543 -3.900 -10.865 1.00 51.24 C ATOM 143 CG GLN A 23 9.942 -3.715 -12.319 1.00 14.20 C ATOM 144 CD GLN A 23 9.217 -4.651 -13.284 1.00 13.44 C ATOM 145 OE1 GLN A 23 9.765 -5.021 -14.327 1.00 55.31 O ATOM 146 NE2 GLN A 23 7.999 -5.026 -12.970 1.00 3.25 N ATOM 0 H GLN A 23 8.948 -4.468 -8.594 1.00 34.22 H new ATOM 0 HA GLN A 23 9.359 -6.035 -10.936 1.00 65.13 H new ATOM 0 HB2 GLN A 23 8.479 -3.686 -10.768 1.00 51.24 H new ATOM 0 HB3 GLN A 23 10.073 -3.162 -10.263 1.00 51.24 H new ATOM 0 HG2 GLN A 23 9.744 -2.684 -12.611 1.00 14.20 H new ATOM 0 HG3 GLN A 23 11.016 -3.873 -12.414 1.00 14.20 H new ATOM 0 HE21 GLN A 23 7.574 -4.703 -12.101 1.00 3.25 H new ATOM 0 HE22 GLN A 23 7.477 -5.640 -13.595 1.00 3.25 H new ATOM 155 N LEU A 24 11.943 -5.299 -9.100 1.00 2.54 N ATOM 156 CA LEU A 24 13.352 -5.617 -8.885 1.00 3.54 C ATOM 157 C LEU A 24 13.490 -7.141 -8.702 1.00 23.23 C ATOM 158 O LEU A 24 14.218 -7.806 -9.450 1.00 60.22 O ATOM 159 CB LEU A 24 13.870 -4.875 -7.608 1.00 51.31 C ATOM 160 CG LEU A 24 15.410 -4.698 -7.419 1.00 34.43 C ATOM 161 CD1 LEU A 24 15.687 -3.919 -6.153 1.00 4.33 C ATOM 162 CD2 LEU A 24 16.163 -6.023 -7.367 1.00 12.52 C ATOM 0 H LEU A 24 11.497 -4.825 -8.315 1.00 2.54 H new ATOM 0 HA LEU A 24 13.944 -5.294 -9.741 1.00 3.54 H new ATOM 0 HB2 LEU A 24 13.419 -3.883 -7.596 1.00 51.31 H new ATOM 0 HB3 LEU A 24 13.489 -5.409 -6.738 1.00 51.31 H new ATOM 0 HG LEU A 24 15.770 -4.154 -8.292 1.00 34.43 H new ATOM 0 HD11 LEU A 24 16.763 -3.799 -6.028 1.00 4.33 H new ATOM 0 HD12 LEU A 24 15.218 -2.937 -6.220 1.00 4.33 H new ATOM 0 HD13 LEU A 24 15.280 -4.458 -5.298 1.00 4.33 H new ATOM 0 HD21 LEU A 24 17.228 -5.831 -7.234 1.00 12.52 H new ATOM 0 HD22 LEU A 24 15.795 -6.618 -6.532 1.00 12.52 H new ATOM 0 HD23 LEU A 24 16.006 -6.568 -8.298 1.00 12.52 H new ATOM 174 N ARG A 25 12.747 -7.665 -7.728 1.00 64.43 N ATOM 175 CA ARG A 25 12.789 -9.034 -7.294 1.00 53.31 C ATOM 176 C ARG A 25 12.611 -10.021 -8.442 1.00 63.20 C ATOM 177 O ARG A 25 13.510 -10.821 -8.726 1.00 4.20 O ATOM 178 CB ARG A 25 11.686 -9.228 -6.276 1.00 23.12 C ATOM 179 CG ARG A 25 11.706 -10.555 -5.612 1.00 14.22 C ATOM 180 CD ARG A 25 10.519 -10.706 -4.695 1.00 73.52 C ATOM 181 NE ARG A 25 10.522 -11.968 -3.955 1.00 2.34 N ATOM 182 CZ ARG A 25 9.581 -12.896 -4.043 1.00 41.54 C ATOM 183 NH1 ARG A 25 8.762 -12.930 -5.104 1.00 10.14 N ATOM 184 NH2 ARG A 25 9.567 -13.880 -3.156 1.00 2.32 N ATOM 0 H ARG A 25 12.072 -7.108 -7.204 1.00 64.43 H new ATOM 0 HA ARG A 25 13.771 -9.233 -6.865 1.00 53.31 H new ATOM 0 HB2 ARG A 25 11.766 -8.451 -5.516 1.00 23.12 H new ATOM 0 HB3 ARG A 25 10.723 -9.094 -6.768 1.00 23.12 H new ATOM 0 HG2 ARG A 25 11.695 -11.344 -6.364 1.00 14.22 H new ATOM 0 HG3 ARG A 25 12.629 -10.670 -5.043 1.00 14.22 H new ATOM 0 HD2 ARG A 25 10.506 -9.877 -3.987 1.00 73.52 H new ATOM 0 HD3 ARG A 25 9.603 -10.638 -5.282 1.00 73.52 H new ATOM 0 HE ARG A 25 11.305 -12.146 -3.326 1.00 2.34 H new ATOM 0 HH11 ARG A 25 8.862 -12.239 -5.848 1.00 10.14 H new ATOM 0 HH12 ARG A 25 8.039 -13.647 -5.167 1.00 10.14 H new ATOM 0 HH21 ARG A 25 10.273 -13.914 -2.421 1.00 2.32 H new ATOM 0 HH22 ARG A 25 8.850 -14.603 -3.208 1.00 2.32 H new ATOM 198 N GLU A 26 11.485 -9.933 -9.115 1.00 72.30 N ATOM 199 CA GLU A 26 11.146 -10.856 -10.178 1.00 71.54 C ATOM 200 C GLU A 26 12.101 -10.821 -11.370 1.00 44.34 C ATOM 201 O GLU A 26 12.222 -11.804 -12.090 1.00 72.55 O ATOM 202 CB GLU A 26 9.703 -10.699 -10.604 1.00 73.00 C ATOM 203 CG GLU A 26 8.724 -11.497 -9.741 1.00 65.23 C ATOM 204 CD GLU A 26 8.778 -11.192 -8.249 1.00 24.11 C ATOM 205 OE1 GLU A 26 8.224 -10.169 -7.819 1.00 34.32 O ATOM 206 OE2 GLU A 26 9.368 -11.983 -7.498 1.00 1.23 O ATOM 0 H GLU A 26 10.777 -9.219 -8.941 1.00 72.30 H new ATOM 0 HA GLU A 26 11.269 -11.851 -9.751 1.00 71.54 H new ATOM 0 HB2 GLU A 26 9.433 -9.644 -10.565 1.00 73.00 H new ATOM 0 HB3 GLU A 26 9.602 -11.016 -11.642 1.00 73.00 H new ATOM 0 HG2 GLU A 26 7.712 -11.307 -10.098 1.00 65.23 H new ATOM 0 HG3 GLU A 26 8.919 -12.560 -9.886 1.00 65.23 H new ATOM 213 N ARG A 27 12.810 -9.712 -11.559 1.00 32.20 N ATOM 214 CA ARG A 27 13.783 -9.618 -12.650 1.00 11.31 C ATOM 215 C ARG A 27 15.004 -10.444 -12.383 1.00 5.43 C ATOM 216 O ARG A 27 15.633 -10.956 -13.306 1.00 43.44 O ATOM 217 CB ARG A 27 14.192 -8.210 -12.933 1.00 12.32 C ATOM 218 CG ARG A 27 13.114 -7.391 -13.562 1.00 73.54 C ATOM 219 CD ARG A 27 13.663 -6.064 -13.935 1.00 21.42 C ATOM 220 NE ARG A 27 12.640 -5.152 -14.445 1.00 75.23 N ATOM 221 CZ ARG A 27 12.805 -3.845 -14.632 1.00 53.34 C ATOM 222 NH1 ARG A 27 13.972 -3.266 -14.327 1.00 23.00 N ATOM 223 NH2 ARG A 27 11.792 -3.116 -15.094 1.00 63.04 N ATOM 0 H ARG A 27 12.734 -8.875 -10.981 1.00 32.20 H new ATOM 0 HA ARG A 27 13.274 -10.011 -13.530 1.00 11.31 H new ATOM 0 HB2 ARG A 27 14.501 -7.736 -12.001 1.00 12.32 H new ATOM 0 HB3 ARG A 27 15.062 -8.218 -13.590 1.00 12.32 H new ATOM 0 HG2 ARG A 27 12.724 -7.898 -14.445 1.00 73.54 H new ATOM 0 HG3 ARG A 27 12.281 -7.271 -12.869 1.00 73.54 H new ATOM 0 HD2 ARG A 27 14.142 -5.616 -13.064 1.00 21.42 H new ATOM 0 HD3 ARG A 27 14.436 -6.195 -14.692 1.00 21.42 H new ATOM 0 HE ARG A 27 11.729 -5.549 -14.675 1.00 75.23 H new ATOM 0 HH11 ARG A 27 14.737 -3.827 -13.951 1.00 23.00 H new ATOM 0 HH12 ARG A 27 14.097 -2.264 -14.471 1.00 23.00 H new ATOM 0 HH21 ARG A 27 10.897 -3.560 -15.302 1.00 63.04 H new ATOM 0 HH22 ARG A 27 11.910 -2.113 -15.240 1.00 63.04 H new ATOM 237 N LEU A 28 15.319 -10.616 -11.114 1.00 51.14 N ATOM 238 CA LEU A 28 16.472 -11.405 -10.722 1.00 52.42 C ATOM 239 C LEU A 28 16.202 -12.826 -11.103 1.00 71.31 C ATOM 240 O LEU A 28 17.035 -13.509 -11.657 1.00 12.22 O ATOM 241 CB LEU A 28 16.686 -11.331 -9.207 1.00 52.51 C ATOM 242 CG LEU A 28 16.806 -9.934 -8.613 1.00 60.42 C ATOM 243 CD1 LEU A 28 17.046 -10.008 -7.123 1.00 74.32 C ATOM 244 CD2 LEU A 28 17.906 -9.170 -9.297 1.00 45.51 C ATOM 0 H LEU A 28 14.792 -10.220 -10.336 1.00 51.14 H new ATOM 0 HA LEU A 28 17.364 -11.023 -11.218 1.00 52.42 H new ATOM 0 HB2 LEU A 28 15.856 -11.841 -8.718 1.00 52.51 H new ATOM 0 HB3 LEU A 28 17.591 -11.887 -8.961 1.00 52.51 H new ATOM 0 HG LEU A 28 15.868 -9.404 -8.776 1.00 60.42 H new ATOM 0 HD11 LEU A 28 17.129 -9.000 -6.717 1.00 74.32 H new ATOM 0 HD12 LEU A 28 16.213 -10.524 -6.645 1.00 74.32 H new ATOM 0 HD13 LEU A 28 17.970 -10.554 -6.930 1.00 74.32 H new ATOM 0 HD21 LEU A 28 17.981 -8.173 -8.863 1.00 45.51 H new ATOM 0 HD22 LEU A 28 18.851 -9.696 -9.164 1.00 45.51 H new ATOM 0 HD23 LEU A 28 17.684 -9.087 -10.361 1.00 45.51 H new ATOM 256 N ILE A 29 14.975 -13.199 -10.887 1.00 24.42 N ATOM 257 CA ILE A 29 14.459 -14.539 -11.098 1.00 23.54 C ATOM 258 C ILE A 29 14.604 -14.954 -12.555 1.00 42.13 C ATOM 259 O ILE A 29 14.841 -16.118 -12.861 1.00 53.33 O ATOM 260 CB ILE A 29 12.958 -14.563 -10.673 1.00 30.44 C ATOM 261 CG1 ILE A 29 12.824 -14.035 -9.254 1.00 4.05 C ATOM 262 CG2 ILE A 29 12.337 -15.937 -10.777 1.00 51.21 C ATOM 263 CD1 ILE A 29 13.736 -14.725 -8.283 1.00 33.24 C ATOM 0 H ILE A 29 14.265 -12.553 -10.542 1.00 24.42 H new ATOM 0 HA ILE A 29 15.029 -15.247 -10.496 1.00 23.54 H new ATOM 0 HB ILE A 29 12.415 -13.922 -11.368 1.00 30.44 H new ATOM 0 HG12 ILE A 29 13.038 -12.966 -9.248 1.00 4.05 H new ATOM 0 HG13 ILE A 29 11.792 -14.155 -8.923 1.00 4.05 H new ATOM 0 HG21 ILE A 29 11.293 -15.889 -10.468 1.00 51.21 H new ATOM 0 HG22 ILE A 29 12.394 -16.285 -11.808 1.00 51.21 H new ATOM 0 HG23 ILE A 29 12.875 -16.629 -10.130 1.00 51.21 H new ATOM 0 HD11 ILE A 29 13.594 -14.304 -7.288 1.00 33.24 H new ATOM 0 HD12 ILE A 29 13.507 -15.790 -8.262 1.00 33.24 H new ATOM 0 HD13 ILE A 29 14.771 -14.583 -8.592 1.00 33.24 H new ATOM 275 N GLN A 30 14.533 -13.983 -13.428 1.00 51.30 N ATOM 276 CA GLN A 30 14.603 -14.219 -14.847 1.00 70.00 C ATOM 277 C GLN A 30 16.013 -14.627 -15.239 1.00 22.43 C ATOM 278 O GLN A 30 16.204 -15.539 -16.033 1.00 30.21 O ATOM 279 CB GLN A 30 14.202 -12.964 -15.597 1.00 13.21 C ATOM 280 CG GLN A 30 12.948 -12.320 -15.041 1.00 42.41 C ATOM 281 CD GLN A 30 12.462 -11.145 -15.868 1.00 11.23 C ATOM 282 OE1 GLN A 30 12.844 -10.008 -15.646 1.00 24.14 O ATOM 283 NE2 GLN A 30 11.609 -11.411 -16.825 1.00 12.43 N ATOM 0 H GLN A 30 14.424 -13.001 -13.174 1.00 51.30 H new ATOM 0 HA GLN A 30 13.917 -15.026 -15.106 1.00 70.00 H new ATOM 0 HB2 GLN A 30 15.021 -12.246 -15.558 1.00 13.21 H new ATOM 0 HB3 GLN A 30 14.043 -13.209 -16.647 1.00 13.21 H new ATOM 0 HG2 GLN A 30 12.157 -13.068 -14.985 1.00 42.41 H new ATOM 0 HG3 GLN A 30 13.141 -11.984 -14.022 1.00 42.41 H new ATOM 0 HE21 GLN A 30 11.308 -12.372 -16.987 1.00 12.43 H new ATOM 0 HE22 GLN A 30 11.246 -10.657 -17.408 1.00 12.43 H new ATOM 292 N GLU A 31 16.993 -13.966 -14.652 1.00 53.13 N ATOM 293 CA GLU A 31 18.386 -14.261 -14.951 1.00 24.34 C ATOM 294 C GLU A 31 18.886 -15.429 -14.125 1.00 51.31 C ATOM 295 O GLU A 31 19.810 -16.134 -14.524 1.00 12.13 O ATOM 296 CB GLU A 31 19.278 -13.038 -14.725 1.00 34.11 C ATOM 297 CG GLU A 31 18.859 -11.847 -15.551 1.00 12.51 C ATOM 298 CD GLU A 31 19.851 -10.708 -15.515 1.00 71.11 C ATOM 299 OE1 GLU A 31 21.005 -10.886 -15.979 1.00 55.44 O ATOM 300 OE2 GLU A 31 19.507 -9.606 -15.072 1.00 61.42 O ATOM 0 H GLU A 31 16.853 -13.223 -13.967 1.00 53.13 H new ATOM 0 HA GLU A 31 18.438 -14.532 -16.005 1.00 24.34 H new ATOM 0 HB2 GLU A 31 19.256 -12.768 -13.669 1.00 34.11 H new ATOM 0 HB3 GLU A 31 20.309 -13.297 -14.966 1.00 34.11 H new ATOM 0 HG2 GLU A 31 18.719 -12.163 -16.585 1.00 12.51 H new ATOM 0 HG3 GLU A 31 17.894 -11.489 -15.193 1.00 12.51 H new ATOM 307 N LEU A 32 18.278 -15.631 -12.973 1.00 61.31 N ATOM 308 CA LEU A 32 18.683 -16.687 -12.096 1.00 74.32 C ATOM 309 C LEU A 32 18.078 -18.028 -12.500 1.00 13.41 C ATOM 310 O LEU A 32 18.547 -19.061 -12.074 1.00 65.51 O ATOM 311 CB LEU A 32 18.351 -16.341 -10.643 1.00 35.54 C ATOM 312 CG LEU A 32 18.989 -15.057 -10.117 1.00 33.31 C ATOM 313 CD1 LEU A 32 18.769 -14.869 -8.637 1.00 2.45 C ATOM 314 CD2 LEU A 32 20.454 -14.938 -10.481 1.00 41.14 C ATOM 0 H LEU A 32 17.499 -15.069 -12.630 1.00 61.31 H new ATOM 0 HA LEU A 32 19.765 -16.790 -12.183 1.00 74.32 H new ATOM 0 HB2 LEU A 32 17.269 -16.256 -10.545 1.00 35.54 H new ATOM 0 HB3 LEU A 32 18.665 -17.170 -10.008 1.00 35.54 H new ATOM 0 HG LEU A 32 18.473 -14.242 -10.624 1.00 33.31 H new ATOM 0 HD11 LEU A 32 19.242 -13.942 -8.314 1.00 2.45 H new ATOM 0 HD12 LEU A 32 17.700 -14.821 -8.431 1.00 2.45 H new ATOM 0 HD13 LEU A 32 19.206 -15.708 -8.095 1.00 2.45 H new ATOM 0 HD21 LEU A 32 20.854 -14.006 -10.081 1.00 41.14 H new ATOM 0 HD22 LEU A 32 21.003 -15.780 -10.059 1.00 41.14 H new ATOM 0 HD23 LEU A 32 20.561 -14.942 -11.566 1.00 41.14 H new ATOM 326 N ASN A 33 17.007 -17.962 -13.299 1.00 31.22 N ATOM 327 CA ASN A 33 16.227 -19.103 -13.891 1.00 10.24 C ATOM 328 C ASN A 33 15.682 -20.065 -12.827 1.00 12.50 C ATOM 329 O ASN A 33 15.280 -21.190 -13.109 1.00 31.14 O ATOM 330 CB ASN A 33 16.961 -19.846 -15.086 1.00 72.23 C ATOM 331 CG ASN A 33 17.848 -21.093 -14.773 1.00 53.41 C ATOM 332 OD1 ASN A 33 17.934 -22.003 -15.593 1.00 71.15 O ATOM 333 ND2 ASN A 33 18.531 -21.136 -13.666 1.00 43.53 N ATOM 0 H ASN A 33 16.621 -17.061 -13.580 1.00 31.22 H new ATOM 0 HA ASN A 33 15.358 -18.636 -14.355 1.00 10.24 H new ATOM 0 HB2 ASN A 33 16.197 -20.156 -15.799 1.00 72.23 H new ATOM 0 HB3 ASN A 33 17.590 -19.114 -15.592 1.00 72.23 H new ATOM 0 HD21 ASN A 33 19.143 -21.929 -13.475 1.00 43.53 H new ATOM 0 HD22 ASN A 33 18.454 -20.376 -12.990 1.00 43.53 H new ATOM 340 N LEU A 34 15.572 -19.555 -11.635 1.00 32.22 N ATOM 341 CA LEU A 34 15.119 -20.297 -10.503 1.00 1.13 C ATOM 342 C LEU A 34 14.105 -19.482 -9.738 1.00 63.33 C ATOM 343 O LEU A 34 13.988 -18.300 -9.986 1.00 64.01 O ATOM 344 CB LEU A 34 16.318 -20.747 -9.650 1.00 2.14 C ATOM 345 CG LEU A 34 17.380 -19.696 -9.273 1.00 52.15 C ATOM 346 CD1 LEU A 34 16.846 -18.627 -8.348 1.00 5.25 C ATOM 347 CD2 LEU A 34 18.584 -20.379 -8.676 1.00 22.15 C ATOM 0 H LEU A 34 15.802 -18.585 -11.422 1.00 32.22 H new ATOM 0 HA LEU A 34 14.614 -21.209 -10.822 1.00 1.13 H new ATOM 0 HB2 LEU A 34 15.928 -21.172 -8.725 1.00 2.14 H new ATOM 0 HB3 LEU A 34 16.822 -21.553 -10.183 1.00 2.14 H new ATOM 0 HG LEU A 34 17.673 -19.183 -10.189 1.00 52.15 H new ATOM 0 HD11 LEU A 34 17.639 -17.916 -8.118 1.00 5.25 H new ATOM 0 HD12 LEU A 34 16.020 -18.106 -8.833 1.00 5.25 H new ATOM 0 HD13 LEU A 34 16.493 -19.088 -7.425 1.00 5.25 H new ATOM 0 HD21 LEU A 34 19.332 -19.632 -8.411 1.00 22.15 H new ATOM 0 HD22 LEU A 34 18.286 -20.927 -7.782 1.00 22.15 H new ATOM 0 HD23 LEU A 34 19.006 -21.073 -9.403 1.00 22.15 H new ATOM 359 N THR A 35 13.404 -20.076 -8.805 1.00 23.20 N ATOM 360 CA THR A 35 12.377 -19.366 -8.095 1.00 15.34 C ATOM 361 C THR A 35 12.998 -18.529 -6.967 1.00 33.13 C ATOM 362 O THR A 35 14.110 -18.818 -6.544 1.00 41.01 O ATOM 363 CB THR A 35 11.310 -20.353 -7.565 1.00 0.20 C ATOM 364 OG1 THR A 35 11.948 -21.453 -6.915 1.00 24.44 O ATOM 365 CG2 THR A 35 10.440 -20.871 -8.703 1.00 42.20 C ATOM 0 H THR A 35 13.527 -21.048 -8.522 1.00 23.20 H new ATOM 0 HA THR A 35 11.875 -18.679 -8.776 1.00 15.34 H new ATOM 0 HB THR A 35 10.676 -19.823 -6.854 1.00 0.20 H new ATOM 0 HG1 THR A 35 11.268 -22.074 -6.580 1.00 24.44 H new ATOM 0 HG21 THR A 35 9.697 -21.563 -8.307 1.00 42.20 H new ATOM 0 HG22 THR A 35 9.935 -20.034 -9.185 1.00 42.20 H new ATOM 0 HG23 THR A 35 11.064 -21.387 -9.432 1.00 42.20 H new ATOM 373 N PRO A 36 12.292 -17.489 -6.454 1.00 33.24 N ATOM 374 CA PRO A 36 12.841 -16.574 -5.415 1.00 62.24 C ATOM 375 C PRO A 36 13.316 -17.296 -4.133 1.00 13.24 C ATOM 376 O PRO A 36 14.172 -16.827 -3.431 1.00 35.13 O ATOM 377 CB PRO A 36 11.667 -15.652 -5.102 1.00 50.41 C ATOM 378 CG PRO A 36 10.797 -15.699 -6.305 1.00 1.23 C ATOM 379 CD PRO A 36 10.929 -17.082 -6.862 1.00 61.55 C ATOM 0 HA PRO A 36 13.733 -16.062 -5.776 1.00 62.24 H new ATOM 0 HB2 PRO A 36 11.130 -15.988 -4.215 1.00 50.41 H new ATOM 0 HB3 PRO A 36 12.008 -14.636 -4.903 1.00 50.41 H new ATOM 0 HG2 PRO A 36 9.761 -15.481 -6.045 1.00 1.23 H new ATOM 0 HG3 PRO A 36 11.105 -14.953 -7.038 1.00 1.23 H new ATOM 0 HD2 PRO A 36 10.171 -17.752 -6.456 1.00 61.55 H new ATOM 0 HD3 PRO A 36 10.815 -17.091 -7.946 1.00 61.55 H new ATOM 387 N GLN A 37 12.775 -18.462 -3.916 1.00 22.54 N ATOM 388 CA GLN A 37 13.076 -19.303 -2.754 1.00 70.04 C ATOM 389 C GLN A 37 14.107 -20.387 -3.081 1.00 22.31 C ATOM 390 O GLN A 37 14.377 -21.280 -2.288 1.00 33.22 O ATOM 391 CB GLN A 37 11.804 -19.884 -2.143 1.00 14.01 C ATOM 392 CG GLN A 37 11.026 -18.886 -1.283 1.00 1.44 C ATOM 393 CD GLN A 37 11.812 -18.473 -0.038 1.00 20.11 C ATOM 394 OE1 GLN A 37 11.713 -19.128 0.999 1.00 33.02 O ATOM 395 NE2 GLN A 37 12.536 -17.378 -0.117 1.00 42.24 N ATOM 0 H GLN A 37 12.093 -18.879 -4.549 1.00 22.54 H new ATOM 0 HA GLN A 37 13.531 -18.662 -1.999 1.00 70.04 H new ATOM 0 HB2 GLN A 37 11.157 -20.242 -2.944 1.00 14.01 H new ATOM 0 HB3 GLN A 37 12.066 -20.749 -1.534 1.00 14.01 H new ATOM 0 HG2 GLN A 37 10.792 -18.001 -1.875 1.00 1.44 H new ATOM 0 HG3 GLN A 37 10.076 -19.328 -0.983 1.00 1.44 H new ATOM 0 HE21 GLN A 37 12.591 -16.865 -0.997 1.00 42.24 H new ATOM 0 HE22 GLN A 37 13.043 -17.042 0.702 1.00 42.24 H new ATOM 404 N GLN A 38 14.624 -20.340 -4.290 1.00 24.40 N ATOM 405 CA GLN A 38 15.789 -21.126 -4.680 1.00 64.50 C ATOM 406 C GLN A 38 16.911 -20.130 -4.857 1.00 62.32 C ATOM 407 O GLN A 38 17.981 -20.404 -5.384 1.00 41.02 O ATOM 408 CB GLN A 38 15.518 -21.907 -5.965 1.00 72.20 C ATOM 409 CG GLN A 38 14.475 -22.998 -5.789 1.00 0.23 C ATOM 410 CD GLN A 38 14.934 -24.106 -4.856 1.00 21.31 C ATOM 411 OE1 GLN A 38 15.499 -25.092 -5.292 1.00 75.53 O ATOM 412 NE2 GLN A 38 14.731 -23.935 -3.570 1.00 71.34 N ATOM 0 H GLN A 38 14.251 -19.755 -5.038 1.00 24.40 H new ATOM 0 HA GLN A 38 16.043 -21.874 -3.928 1.00 64.50 H new ATOM 0 HB2 GLN A 38 15.186 -21.216 -6.740 1.00 72.20 H new ATOM 0 HB3 GLN A 38 16.448 -22.355 -6.314 1.00 72.20 H new ATOM 0 HG2 GLN A 38 13.557 -22.558 -5.399 1.00 0.23 H new ATOM 0 HG3 GLN A 38 14.235 -23.425 -6.763 1.00 0.23 H new ATOM 0 HE21 GLN A 38 14.254 -23.097 -3.236 1.00 71.34 H new ATOM 0 HE22 GLN A 38 15.050 -24.640 -2.905 1.00 71.34 H new ATOM 421 N LEU A 39 16.610 -18.975 -4.360 1.00 52.52 N ATOM 422 CA LEU A 39 17.407 -17.829 -4.360 1.00 51.43 C ATOM 423 C LEU A 39 17.495 -17.371 -2.921 1.00 51.21 C ATOM 424 O LEU A 39 16.596 -17.608 -2.140 1.00 25.45 O ATOM 425 CB LEU A 39 16.728 -16.749 -5.265 1.00 71.43 C ATOM 426 CG LEU A 39 16.957 -15.273 -4.909 1.00 42.15 C ATOM 427 CD1 LEU A 39 18.417 -14.859 -5.031 1.00 0.43 C ATOM 428 CD2 LEU A 39 16.092 -14.345 -5.732 1.00 32.20 C ATOM 0 H LEU A 39 15.712 -18.813 -3.905 1.00 52.52 H new ATOM 0 HA LEU A 39 18.407 -18.011 -4.754 1.00 51.43 H new ATOM 0 HB2 LEU A 39 17.071 -16.904 -6.288 1.00 71.43 H new ATOM 0 HB3 LEU A 39 15.654 -16.933 -5.258 1.00 71.43 H new ATOM 0 HG LEU A 39 16.666 -15.181 -3.863 1.00 42.15 H new ATOM 0 HD11 LEU A 39 18.520 -13.806 -4.768 1.00 0.43 H new ATOM 0 HD12 LEU A 39 19.024 -15.463 -4.357 1.00 0.43 H new ATOM 0 HD13 LEU A 39 18.754 -15.011 -6.056 1.00 0.43 H new ATOM 0 HD21 LEU A 39 16.290 -13.312 -5.444 1.00 32.20 H new ATOM 0 HD22 LEU A 39 16.321 -14.477 -6.790 1.00 32.20 H new ATOM 0 HD23 LEU A 39 15.041 -14.576 -5.556 1.00 32.20 H new ATOM 440 N HIS A 40 18.591 -16.794 -2.587 1.00 5.51 N ATOM 441 CA HIS A 40 18.803 -16.191 -1.336 1.00 2.23 C ATOM 442 C HIS A 40 18.217 -14.794 -1.438 1.00 71.32 C ATOM 443 O HIS A 40 18.929 -13.872 -1.756 1.00 54.11 O ATOM 444 CB HIS A 40 20.328 -16.094 -1.103 1.00 52.42 C ATOM 445 CG HIS A 40 21.052 -17.411 -0.991 1.00 23.31 C ATOM 446 ND1 HIS A 40 21.798 -17.977 -2.011 1.00 62.45 N ATOM 447 CD2 HIS A 40 21.163 -18.263 0.057 1.00 14.15 C ATOM 448 CE1 HIS A 40 22.317 -19.122 -1.559 1.00 34.53 C ATOM 449 NE2 HIS A 40 21.967 -19.340 -0.309 1.00 44.12 N ATOM 0 H HIS A 40 19.396 -16.730 -3.210 1.00 5.51 H new ATOM 0 HA HIS A 40 18.348 -16.751 -0.519 1.00 2.23 H new ATOM 0 HB2 HIS A 40 20.768 -15.526 -1.923 1.00 52.42 H new ATOM 0 HB3 HIS A 40 20.503 -15.524 -0.190 1.00 52.42 H new ATOM 0 HD2 HIS A 40 20.701 -18.128 1.024 1.00 14.15 H new ATOM 0 HE1 HIS A 40 22.942 -19.782 -2.143 1.00 34.53 H new ATOM 0 HE2 HIS A 40 22.231 -20.135 0.273 1.00 44.12 H new ATOM 457 N GLU A 41 16.907 -14.666 -1.316 1.00 25.21 N ATOM 458 CA GLU A 41 16.279 -13.354 -1.453 1.00 3.22 C ATOM 459 C GLU A 41 16.335 -12.614 -0.132 1.00 74.42 C ATOM 460 O GLU A 41 16.532 -11.382 -0.070 1.00 51.41 O ATOM 461 CB GLU A 41 14.832 -13.446 -2.000 1.00 23.41 C ATOM 462 CG GLU A 41 13.836 -14.203 -1.125 1.00 31.55 C ATOM 463 CD GLU A 41 12.435 -14.180 -1.701 1.00 3.44 C ATOM 464 OE1 GLU A 41 11.868 -13.077 -1.873 1.00 35.01 O ATOM 465 OE2 GLU A 41 11.863 -15.254 -1.989 1.00 63.04 O ATOM 0 H GLU A 41 16.264 -15.435 -1.126 1.00 25.21 H new ATOM 0 HA GLU A 41 16.843 -12.787 -2.193 1.00 3.22 H new ATOM 0 HB2 GLU A 41 14.457 -12.434 -2.152 1.00 23.41 H new ATOM 0 HB3 GLU A 41 14.864 -13.925 -2.979 1.00 23.41 H new ATOM 0 HG2 GLU A 41 14.164 -15.236 -1.014 1.00 31.55 H new ATOM 0 HG3 GLU A 41 13.824 -13.764 -0.128 1.00 31.55 H new ATOM 472 N GLU A 42 16.215 -13.376 0.906 1.00 34.22 N ATOM 473 CA GLU A 42 16.266 -12.899 2.256 1.00 65.31 C ATOM 474 C GLU A 42 17.685 -13.064 2.753 1.00 32.22 C ATOM 475 O GLU A 42 18.130 -12.380 3.672 1.00 71.44 O ATOM 476 CB GLU A 42 15.260 -13.680 3.157 1.00 55.50 C ATOM 477 CG GLU A 42 15.549 -15.190 3.356 1.00 65.42 C ATOM 478 CD GLU A 42 15.601 -15.982 2.059 1.00 72.53 C ATOM 479 OE1 GLU A 42 16.719 -16.081 1.472 1.00 23.53 O ATOM 480 OE2 GLU A 42 14.561 -16.436 1.595 1.00 22.21 O ATOM 0 H GLU A 42 16.074 -14.384 0.838 1.00 34.22 H new ATOM 0 HA GLU A 42 15.979 -11.848 2.296 1.00 65.31 H new ATOM 0 HB2 GLU A 42 15.237 -13.204 4.137 1.00 55.50 H new ATOM 0 HB3 GLU A 42 14.263 -13.576 2.728 1.00 55.50 H new ATOM 0 HG2 GLU A 42 16.499 -15.303 3.878 1.00 65.42 H new ATOM 0 HG3 GLU A 42 14.779 -15.616 4.000 1.00 65.42 H new ATOM 487 N SER A 43 18.381 -13.960 2.105 1.00 21.21 N ATOM 488 CA SER A 43 19.725 -14.271 2.393 1.00 63.23 C ATOM 489 C SER A 43 20.627 -13.493 1.425 1.00 41.30 C ATOM 490 O SER A 43 20.127 -12.829 0.519 1.00 22.12 O ATOM 491 CB SER A 43 19.901 -15.773 2.257 1.00 32.23 C ATOM 492 OG SER A 43 18.970 -16.464 3.068 1.00 65.13 O ATOM 0 H SER A 43 17.997 -14.506 1.334 1.00 21.21 H new ATOM 0 HA SER A 43 20.000 -13.984 3.408 1.00 63.23 H new ATOM 0 HB2 SER A 43 19.770 -16.066 1.215 1.00 32.23 H new ATOM 0 HB3 SER A 43 20.915 -16.052 2.542 1.00 32.23 H new ATOM 0 HG SER A 43 18.084 -16.432 2.649 1.00 65.13 H new ATOM 498 N ASN A 44 21.926 -13.497 1.674 1.00 63.42 N ATOM 499 CA ASN A 44 22.898 -12.773 0.835 1.00 13.53 C ATOM 500 C ASN A 44 22.786 -13.127 -0.640 1.00 21.04 C ATOM 501 O ASN A 44 23.043 -14.258 -1.046 1.00 45.31 O ATOM 502 CB ASN A 44 24.331 -13.013 1.310 1.00 70.23 C ATOM 503 CG ASN A 44 24.633 -12.406 2.661 1.00 33.40 C ATOM 504 OD1 ASN A 44 24.121 -11.356 3.010 1.00 53.34 O ATOM 505 ND2 ASN A 44 25.427 -13.091 3.442 1.00 64.05 N ATOM 0 H ASN A 44 22.347 -13.997 2.457 1.00 63.42 H new ATOM 0 HA ASN A 44 22.653 -11.716 0.943 1.00 13.53 H new ATOM 0 HB2 ASN A 44 24.515 -14.087 1.355 1.00 70.23 H new ATOM 0 HB3 ASN A 44 25.022 -12.602 0.574 1.00 70.23 H new ATOM 0 HD21 ASN A 44 25.637 -12.751 4.380 1.00 64.05 H new ATOM 0 HD22 ASN A 44 25.836 -13.966 3.113 1.00 64.05 H new ATOM 512 N LEU A 45 22.444 -12.129 -1.430 1.00 11.03 N ATOM 513 CA LEU A 45 22.281 -12.253 -2.874 1.00 11.31 C ATOM 514 C LEU A 45 23.587 -12.635 -3.564 1.00 23.25 C ATOM 515 O LEU A 45 23.574 -13.238 -4.620 1.00 54.11 O ATOM 516 CB LEU A 45 21.730 -10.951 -3.484 1.00 43.13 C ATOM 517 CG LEU A 45 20.300 -10.546 -3.092 1.00 5.20 C ATOM 518 CD1 LEU A 45 19.962 -9.191 -3.660 1.00 1.33 C ATOM 519 CD2 LEU A 45 19.302 -11.551 -3.609 1.00 75.42 C ATOM 0 H LEU A 45 22.267 -11.186 -1.083 1.00 11.03 H new ATOM 0 HA LEU A 45 21.562 -13.055 -3.041 1.00 11.31 H new ATOM 0 HB2 LEU A 45 22.400 -10.137 -3.207 1.00 43.13 H new ATOM 0 HB3 LEU A 45 21.771 -11.042 -4.569 1.00 43.13 H new ATOM 0 HG LEU A 45 20.251 -10.511 -2.004 1.00 5.20 H new ATOM 0 HD11 LEU A 45 18.946 -8.919 -3.373 1.00 1.33 H new ATOM 0 HD12 LEU A 45 20.660 -8.449 -3.271 1.00 1.33 H new ATOM 0 HD13 LEU A 45 20.036 -9.223 -4.747 1.00 1.33 H new ATOM 0 HD21 LEU A 45 18.296 -11.246 -3.321 1.00 75.42 H new ATOM 0 HD22 LEU A 45 19.368 -11.603 -4.696 1.00 75.42 H new ATOM 0 HD23 LEU A 45 19.519 -12.531 -3.185 1.00 75.42 H new ATOM 531 N ILE A 46 24.712 -12.321 -2.926 1.00 61.03 N ATOM 532 CA ILE A 46 26.043 -12.622 -3.487 1.00 70.13 C ATOM 533 C ILE A 46 26.316 -14.150 -3.381 1.00 51.35 C ATOM 534 O ILE A 46 27.260 -14.675 -3.941 1.00 61.53 O ATOM 535 CB ILE A 46 27.174 -11.808 -2.748 1.00 32.54 C ATOM 536 CG1 ILE A 46 26.791 -10.323 -2.610 1.00 53.51 C ATOM 537 CG2 ILE A 46 28.505 -11.899 -3.501 1.00 31.32 C ATOM 538 CD1 ILE A 46 26.625 -9.582 -3.923 1.00 64.03 C ATOM 0 H ILE A 46 24.737 -11.857 -2.018 1.00 61.03 H new ATOM 0 HA ILE A 46 26.054 -12.322 -4.535 1.00 70.13 H new ATOM 0 HB ILE A 46 27.284 -12.250 -1.758 1.00 32.54 H new ATOM 0 HG12 ILE A 46 25.858 -10.254 -2.050 1.00 53.51 H new ATOM 0 HG13 ILE A 46 27.556 -9.819 -2.019 1.00 53.51 H new ATOM 0 HG21 ILE A 46 29.265 -11.328 -2.967 1.00 31.32 H new ATOM 0 HG22 ILE A 46 28.815 -12.942 -3.567 1.00 31.32 H new ATOM 0 HG23 ILE A 46 28.384 -11.492 -4.505 1.00 31.32 H new ATOM 0 HD11 ILE A 46 26.356 -8.545 -3.724 1.00 64.03 H new ATOM 0 HD12 ILE A 46 27.562 -9.613 -4.479 1.00 64.03 H new ATOM 0 HD13 ILE A 46 25.838 -10.055 -4.511 1.00 64.03 H new ATOM 550 N GLN A 47 25.451 -14.845 -2.646 1.00 72.22 N ATOM 551 CA GLN A 47 25.524 -16.296 -2.516 1.00 42.02 C ATOM 552 C GLN A 47 24.744 -16.956 -3.655 1.00 35.01 C ATOM 553 O GLN A 47 24.709 -18.173 -3.791 1.00 24.51 O ATOM 554 CB GLN A 47 24.991 -16.747 -1.165 1.00 33.30 C ATOM 555 CG GLN A 47 25.813 -16.262 0.020 1.00 74.31 C ATOM 556 CD GLN A 47 25.195 -16.605 1.369 1.00 13.22 C ATOM 557 OE1 GLN A 47 25.385 -15.883 2.346 1.00 14.25 O ATOM 558 NE2 GLN A 47 24.446 -17.685 1.439 1.00 41.25 N ATOM 0 H GLN A 47 24.683 -14.419 -2.126 1.00 72.22 H new ATOM 0 HA GLN A 47 26.568 -16.602 -2.579 1.00 42.02 H new ATOM 0 HB2 GLN A 47 23.967 -16.391 -1.053 1.00 33.30 H new ATOM 0 HB3 GLN A 47 24.954 -17.836 -1.146 1.00 33.30 H new ATOM 0 HG2 GLN A 47 26.810 -16.700 -0.036 1.00 74.31 H new ATOM 0 HG3 GLN A 47 25.935 -15.181 -0.051 1.00 74.31 H new ATOM 0 HE21 GLN A 47 24.307 -18.264 0.611 1.00 41.25 H new ATOM 0 HE22 GLN A 47 24.004 -17.943 2.321 1.00 41.25 H new ATOM 567 N ALA A 48 24.066 -16.131 -4.415 1.00 52.43 N ATOM 568 CA ALA A 48 23.334 -16.544 -5.582 1.00 34.42 C ATOM 569 C ALA A 48 24.082 -15.987 -6.777 1.00 55.44 C ATOM 570 O ALA A 48 25.125 -15.355 -6.593 1.00 33.41 O ATOM 571 CB ALA A 48 21.907 -16.015 -5.534 1.00 32.01 C ATOM 0 H ALA A 48 24.008 -15.129 -4.232 1.00 52.43 H new ATOM 0 HA ALA A 48 23.263 -17.630 -5.641 1.00 34.42 H new ATOM 0 HB1 ALA A 48 21.369 -16.338 -6.425 1.00 32.01 H new ATOM 0 HB2 ALA A 48 21.405 -16.402 -4.647 1.00 32.01 H new ATOM 0 HB3 ALA A 48 21.924 -14.926 -5.495 1.00 32.01 H new ATOM 577 N GLY A 49 23.595 -16.194 -7.989 1.00 64.23 N ATOM 578 CA GLY A 49 24.335 -15.675 -9.110 1.00 4.53 C ATOM 579 C GLY A 49 24.047 -14.210 -9.323 1.00 32.40 C ATOM 580 O GLY A 49 23.203 -13.839 -10.111 1.00 31.13 O ATOM 0 H GLY A 49 22.733 -16.693 -8.210 1.00 64.23 H new ATOM 0 HA2 GLY A 49 25.402 -15.818 -8.942 1.00 4.53 H new ATOM 0 HA3 GLY A 49 24.077 -16.234 -10.010 1.00 4.53 H new ATOM 584 N LEU A 50 24.775 -13.396 -8.647 1.00 51.51 N ATOM 585 CA LEU A 50 24.655 -12.002 -8.767 1.00 42.44 C ATOM 586 C LEU A 50 26.034 -11.416 -8.853 1.00 74.32 C ATOM 587 O LEU A 50 26.736 -11.296 -7.848 1.00 45.23 O ATOM 588 CB LEU A 50 23.911 -11.405 -7.572 1.00 10.14 C ATOM 589 CG LEU A 50 23.733 -9.889 -7.640 1.00 51.22 C ATOM 590 CD1 LEU A 50 22.485 -9.497 -8.406 1.00 61.11 C ATOM 591 CD2 LEU A 50 23.822 -9.215 -6.279 1.00 15.24 C ATOM 0 H LEU A 50 25.486 -13.696 -7.980 1.00 51.51 H new ATOM 0 HA LEU A 50 24.082 -11.767 -9.664 1.00 42.44 H new ATOM 0 HB2 LEU A 50 22.929 -11.872 -7.499 1.00 10.14 H new ATOM 0 HB3 LEU A 50 24.452 -11.656 -6.659 1.00 10.14 H new ATOM 0 HG LEU A 50 24.582 -9.508 -8.208 1.00 51.22 H new ATOM 0 HD11 LEU A 50 22.398 -8.411 -8.429 1.00 61.11 H new ATOM 0 HD12 LEU A 50 22.549 -9.878 -9.425 1.00 61.11 H new ATOM 0 HD13 LEU A 50 21.609 -9.920 -7.915 1.00 61.11 H new ATOM 0 HD21 LEU A 50 23.687 -8.140 -6.396 1.00 15.24 H new ATOM 0 HD22 LEU A 50 23.043 -9.609 -5.626 1.00 15.24 H new ATOM 0 HD23 LEU A 50 24.799 -9.413 -5.838 1.00 15.24 H new ATOM 603 N ASP A 51 26.437 -11.141 -10.046 1.00 61.13 N ATOM 604 CA ASP A 51 27.697 -10.500 -10.309 1.00 53.14 C ATOM 605 C ASP A 51 27.502 -8.998 -10.244 1.00 1.45 C ATOM 606 O ASP A 51 26.421 -8.510 -9.852 1.00 31.31 O ATOM 607 CB ASP A 51 28.245 -10.917 -11.685 1.00 23.30 C ATOM 608 CG ASP A 51 27.242 -10.707 -12.798 1.00 51.11 C ATOM 609 OD1 ASP A 51 26.903 -9.561 -13.119 1.00 23.32 O ATOM 610 OD2 ASP A 51 26.729 -11.699 -13.327 1.00 63.14 O ATOM 0 H ASP A 51 25.898 -11.355 -10.885 1.00 61.13 H new ATOM 0 HA ASP A 51 28.425 -10.808 -9.559 1.00 53.14 H new ATOM 0 HB2 ASP A 51 29.147 -10.345 -11.901 1.00 23.30 H new ATOM 0 HB3 ASP A 51 28.533 -11.968 -11.654 1.00 23.30 H new ATOM 680 N ILE A 53 27.548 -6.925 -12.763 1.00 21.31 N ATOM 681 CA ILE A 53 26.903 -6.364 -13.866 1.00 14.51 C ATOM 682 C ILE A 53 25.410 -6.457 -13.632 1.00 33.14 C ATOM 683 O ILE A 53 24.621 -5.630 -14.109 1.00 73.41 O ATOM 684 CB ILE A 53 27.367 -6.979 -15.208 1.00 62.34 C ATOM 685 CG1 ILE A 53 27.653 -5.869 -16.197 1.00 25.13 C ATOM 686 CG2 ILE A 53 26.380 -8.000 -15.804 1.00 32.01 C ATOM 687 CD1 ILE A 53 26.519 -4.874 -16.343 1.00 31.13 C ATOM 0 HA ILE A 53 27.176 -5.313 -13.961 1.00 14.51 H new ATOM 0 HB ILE A 53 28.275 -7.544 -14.999 1.00 62.34 H new ATOM 0 HG12 ILE A 53 28.552 -5.338 -15.883 1.00 25.13 H new ATOM 0 HG13 ILE A 53 27.866 -6.309 -17.171 1.00 25.13 H new ATOM 0 HG21 ILE A 53 26.777 -8.385 -16.743 1.00 32.01 H new ATOM 0 HG22 ILE A 53 26.242 -8.824 -15.104 1.00 32.01 H new ATOM 0 HG23 ILE A 53 25.421 -7.515 -15.987 1.00 32.01 H new ATOM 0 HD11 ILE A 53 26.797 -4.109 -17.068 1.00 31.13 H new ATOM 0 HD12 ILE A 53 25.623 -5.391 -16.687 1.00 31.13 H new ATOM 0 HD13 ILE A 53 26.320 -4.405 -15.379 1.00 31.13 H new ATOM 699 N ARG A 54 25.022 -7.456 -12.894 1.00 3.51 N ATOM 700 CA ARG A 54 23.678 -7.516 -12.423 1.00 13.12 C ATOM 701 C ARG A 54 23.501 -6.419 -11.413 1.00 14.01 C ATOM 702 O ARG A 54 22.628 -5.582 -11.557 1.00 13.13 O ATOM 703 CB ARG A 54 23.332 -8.879 -11.815 1.00 45.44 C ATOM 704 CG ARG A 54 22.877 -9.928 -12.817 1.00 42.41 C ATOM 705 CD ARG A 54 23.928 -10.262 -13.860 1.00 42.25 C ATOM 706 NE ARG A 54 23.361 -11.140 -14.885 1.00 13.12 N ATOM 707 CZ ARG A 54 23.992 -12.069 -15.585 1.00 33.13 C ATOM 708 NH1 ARG A 54 25.251 -12.400 -15.318 1.00 22.12 N ATOM 709 NH2 ARG A 54 23.314 -12.704 -16.539 1.00 22.54 N ATOM 0 H ARG A 54 25.617 -8.234 -12.609 1.00 3.51 H new ATOM 0 HA ARG A 54 22.997 -7.383 -13.263 1.00 13.12 H new ATOM 0 HB2 ARG A 54 24.207 -9.258 -11.286 1.00 45.44 H new ATOM 0 HB3 ARG A 54 22.546 -8.741 -11.073 1.00 45.44 H new ATOM 0 HG2 ARG A 54 22.606 -10.838 -12.281 1.00 42.41 H new ATOM 0 HG3 ARG A 54 21.977 -9.573 -13.319 1.00 42.41 H new ATOM 0 HD2 ARG A 54 24.299 -9.346 -14.320 1.00 42.25 H new ATOM 0 HD3 ARG A 54 24.780 -10.748 -13.385 1.00 42.25 H new ATOM 0 HE ARG A 54 22.367 -11.022 -15.082 1.00 13.12 H new ATOM 0 HH11 ARG A 54 25.751 -11.935 -14.560 1.00 22.12 H new ATOM 0 HH12 ARG A 54 25.717 -13.119 -15.871 1.00 22.12 H new ATOM 0 HH21 ARG A 54 22.337 -12.469 -16.713 1.00 22.54 H new ATOM 0 HH22 ARG A 54 23.772 -13.425 -17.096 1.00 22.54 H new ATOM 723 N LEU A 55 24.416 -6.377 -10.460 1.00 61.15 N ATOM 724 CA LEU A 55 24.400 -5.416 -9.369 1.00 41.02 C ATOM 725 C LEU A 55 24.394 -3.959 -9.883 1.00 20.23 C ATOM 726 O LEU A 55 23.535 -3.175 -9.490 1.00 73.13 O ATOM 727 CB LEU A 55 25.604 -5.662 -8.476 1.00 51.31 C ATOM 728 CG LEU A 55 25.682 -4.892 -7.162 1.00 35.11 C ATOM 729 CD1 LEU A 55 24.580 -5.296 -6.209 1.00 33.02 C ATOM 730 CD2 LEU A 55 27.006 -5.140 -6.526 1.00 12.51 C ATOM 0 H LEU A 55 25.206 -7.021 -10.421 1.00 61.15 H new ATOM 0 HA LEU A 55 23.481 -5.554 -8.800 1.00 41.02 H new ATOM 0 HB2 LEU A 55 25.637 -6.726 -8.243 1.00 51.31 H new ATOM 0 HB3 LEU A 55 26.501 -5.434 -9.052 1.00 51.31 H new ATOM 0 HG LEU A 55 25.559 -3.832 -7.383 1.00 35.11 H new ATOM 0 HD11 LEU A 55 24.671 -4.725 -5.285 1.00 33.02 H new ATOM 0 HD12 LEU A 55 23.611 -5.095 -6.667 1.00 33.02 H new ATOM 0 HD13 LEU A 55 24.663 -6.360 -5.987 1.00 33.02 H new ATOM 0 HD21 LEU A 55 27.067 -4.591 -5.586 1.00 12.51 H new ATOM 0 HD22 LEU A 55 27.122 -6.206 -6.332 1.00 12.51 H new ATOM 0 HD23 LEU A 55 27.799 -4.804 -7.194 1.00 12.51 H new ATOM 742 N MET A 56 25.330 -3.605 -10.782 1.00 45.32 N ATOM 743 CA MET A 56 25.403 -2.228 -11.316 1.00 71.25 C ATOM 744 C MET A 56 24.153 -1.835 -12.081 1.00 1.03 C ATOM 745 O MET A 56 23.764 -0.666 -12.072 1.00 25.52 O ATOM 746 CB MET A 56 26.655 -1.972 -12.171 1.00 61.32 C ATOM 747 CG MET A 56 27.943 -1.528 -11.436 1.00 70.25 C ATOM 748 SD MET A 56 28.596 -2.662 -10.179 1.00 64.55 S ATOM 749 CE MET A 56 27.571 -2.323 -8.764 1.00 71.15 C ATOM 0 H MET A 56 26.037 -4.240 -11.151 1.00 45.32 H new ATOM 0 HA MET A 56 25.477 -1.591 -10.435 1.00 71.25 H new ATOM 0 HB2 MET A 56 26.879 -2.886 -12.721 1.00 61.32 H new ATOM 0 HB3 MET A 56 26.408 -1.208 -12.909 1.00 61.32 H new ATOM 0 HG2 MET A 56 28.720 -1.363 -12.182 1.00 70.25 H new ATOM 0 HG3 MET A 56 27.749 -0.567 -10.959 1.00 70.25 H new ATOM 0 HE1 MET A 56 28.188 -2.293 -7.866 1.00 71.15 H new ATOM 0 HE2 MET A 56 27.076 -1.361 -8.896 1.00 71.15 H new ATOM 0 HE3 MET A 56 26.820 -3.107 -8.662 1.00 71.15 H new ATOM 759 N ARG A 57 23.508 -2.809 -12.720 1.00 51.42 N ATOM 760 CA ARG A 57 22.261 -2.561 -13.422 1.00 2.41 C ATOM 761 C ARG A 57 21.170 -2.114 -12.508 1.00 34.24 C ATOM 762 O ARG A 57 20.309 -1.330 -12.895 1.00 44.24 O ATOM 763 CB ARG A 57 21.821 -3.750 -14.180 1.00 74.42 C ATOM 764 CG ARG A 57 22.403 -3.751 -15.553 1.00 41.13 C ATOM 765 CD ARG A 57 21.772 -4.806 -16.348 1.00 34.54 C ATOM 766 NE ARG A 57 22.293 -6.136 -16.031 1.00 61.32 N ATOM 767 CZ ARG A 57 21.558 -7.251 -15.933 1.00 25.10 C ATOM 768 NH1 ARG A 57 20.240 -7.189 -15.835 1.00 13.00 N ATOM 769 NH2 ARG A 57 22.147 -8.427 -15.888 1.00 2.10 N ATOM 0 H ARG A 57 23.832 -3.775 -12.763 1.00 51.42 H new ATOM 0 HA ARG A 57 22.466 -1.750 -14.121 1.00 2.41 H new ATOM 0 HB2 ARG A 57 22.122 -4.655 -13.652 1.00 74.42 H new ATOM 0 HB3 ARG A 57 20.733 -3.765 -14.242 1.00 74.42 H new ATOM 0 HG2 ARG A 57 22.248 -2.782 -16.026 1.00 41.13 H new ATOM 0 HG3 ARG A 57 23.480 -3.913 -15.503 1.00 41.13 H new ATOM 0 HD2 ARG A 57 20.696 -4.791 -16.176 1.00 34.54 H new ATOM 0 HD3 ARG A 57 21.929 -4.601 -17.407 1.00 34.54 H new ATOM 0 HE ARG A 57 23.297 -6.221 -15.872 1.00 61.32 H new ATOM 0 HH11 ARG A 57 19.771 -6.283 -15.833 1.00 13.00 H new ATOM 0 HH12 ARG A 57 19.693 -8.047 -15.761 1.00 13.00 H new ATOM 0 HH21 ARG A 57 23.164 -8.490 -15.928 1.00 2.10 H new ATOM 0 HH22 ARG A 57 21.586 -9.276 -15.813 1.00 2.10 H new ATOM 783 N TRP A 58 21.221 -2.596 -11.295 1.00 21.23 N ATOM 784 CA TRP A 58 20.262 -2.213 -10.277 1.00 1.55 C ATOM 785 C TRP A 58 20.396 -0.772 -9.914 1.00 61.33 C ATOM 786 O TRP A 58 19.413 -0.029 -9.976 1.00 23.35 O ATOM 787 CB TRP A 58 20.268 -3.200 -9.106 1.00 52.31 C ATOM 788 CG TRP A 58 19.913 -4.555 -9.635 1.00 42.24 C ATOM 789 CD1 TRP A 58 20.582 -5.715 -9.444 1.00 42.02 C ATOM 790 CD2 TRP A 58 18.817 -4.860 -10.536 1.00 51.45 C ATOM 791 NE1 TRP A 58 20.007 -6.714 -10.188 1.00 43.14 N ATOM 792 CE2 TRP A 58 18.920 -6.212 -10.858 1.00 61.04 C ATOM 793 CE3 TRP A 58 17.762 -4.112 -11.105 1.00 32.24 C ATOM 794 CZ2 TRP A 58 18.029 -6.838 -11.726 1.00 70.14 C ATOM 795 CZ3 TRP A 58 16.881 -4.740 -11.949 1.00 55.15 C ATOM 796 CH2 TRP A 58 17.022 -6.087 -12.257 1.00 11.41 C ATOM 0 H TRP A 58 21.924 -3.264 -10.979 1.00 21.23 H new ATOM 0 HA TRP A 58 19.254 -2.289 -10.685 1.00 1.55 H new ATOM 0 HB2 TRP A 58 21.249 -3.222 -8.632 1.00 52.31 H new ATOM 0 HB3 TRP A 58 19.553 -2.890 -8.344 1.00 52.31 H new ATOM 0 HD1 TRP A 58 21.441 -5.837 -8.801 1.00 42.02 H new ATOM 0 HE1 TRP A 58 20.336 -7.678 -10.236 1.00 43.14 H new ATOM 0 HE3 TRP A 58 17.651 -3.062 -10.879 1.00 32.24 H new ATOM 0 HZ2 TRP A 58 18.132 -7.885 -11.971 1.00 70.14 H new ATOM 0 HZ3 TRP A 58 16.066 -4.178 -12.380 1.00 55.15 H new ATOM 0 HH2 TRP A 58 16.318 -6.550 -12.932 1.00 11.41 H new ATOM 807 N LEU A 59 21.614 -0.336 -9.662 1.00 62.14 N ATOM 808 CA LEU A 59 21.894 1.081 -9.365 1.00 20.14 C ATOM 809 C LEU A 59 21.464 1.932 -10.510 1.00 13.51 C ATOM 810 O LEU A 59 20.735 2.895 -10.346 1.00 72.10 O ATOM 811 CB LEU A 59 23.390 1.341 -9.135 1.00 23.43 C ATOM 812 CG LEU A 59 23.997 0.867 -7.832 1.00 54.34 C ATOM 813 CD1 LEU A 59 23.318 1.535 -6.662 1.00 71.13 C ATOM 814 CD2 LEU A 59 23.937 -0.636 -7.724 1.00 2.33 C ATOM 0 H LEU A 59 22.439 -0.935 -9.654 1.00 62.14 H new ATOM 0 HA LEU A 59 21.345 1.325 -8.456 1.00 20.14 H new ATOM 0 HB2 LEU A 59 23.941 0.873 -9.951 1.00 23.43 H new ATOM 0 HB3 LEU A 59 23.559 2.415 -9.212 1.00 23.43 H new ATOM 0 HG LEU A 59 25.049 1.151 -7.816 1.00 54.34 H new ATOM 0 HD11 LEU A 59 23.766 1.184 -5.732 1.00 71.13 H new ATOM 0 HD12 LEU A 59 23.441 2.615 -6.738 1.00 71.13 H new ATOM 0 HD13 LEU A 59 22.256 1.289 -6.669 1.00 71.13 H new ATOM 0 HD21 LEU A 59 24.379 -0.951 -6.779 1.00 2.33 H new ATOM 0 HD22 LEU A 59 22.898 -0.963 -7.765 1.00 2.33 H new ATOM 0 HD23 LEU A 59 24.490 -1.083 -8.550 1.00 2.33 H new ATOM 826 N HIS A 60 21.884 1.521 -11.675 1.00 15.43 N ATOM 827 CA HIS A 60 21.631 2.214 -12.906 1.00 43.10 C ATOM 828 C HIS A 60 20.118 2.363 -13.178 1.00 1.25 C ATOM 829 O HIS A 60 19.679 3.330 -13.830 1.00 13.34 O ATOM 830 CB HIS A 60 22.342 1.451 -14.036 1.00 62.42 C ATOM 831 CG HIS A 60 22.187 2.057 -15.410 1.00 2.41 C ATOM 832 ND1 HIS A 60 23.084 2.939 -15.978 1.00 32.31 N ATOM 833 CD2 HIS A 60 21.184 1.919 -16.309 1.00 24.22 C ATOM 834 CE1 HIS A 60 22.604 3.309 -17.169 1.00 61.41 C ATOM 835 NE2 HIS A 60 21.441 2.718 -17.418 1.00 31.22 N ATOM 0 H HIS A 60 22.429 0.667 -11.796 1.00 15.43 H new ATOM 0 HA HIS A 60 22.023 3.229 -12.845 1.00 43.10 H new ATOM 0 HB2 HIS A 60 23.404 1.389 -13.800 1.00 62.42 H new ATOM 0 HB3 HIS A 60 21.961 0.430 -14.060 1.00 62.42 H new ATOM 0 HD2 HIS A 60 20.318 1.286 -16.184 1.00 24.22 H new ATOM 0 HE1 HIS A 60 23.096 3.997 -17.840 1.00 61.41 H new ATOM 0 HE2 HIS A 60 20.859 2.827 -18.248 1.00 31.22 H new ATOM 843 N TRP A 61 19.343 1.432 -12.684 1.00 21.30 N ATOM 844 CA TRP A 61 17.920 1.444 -12.879 1.00 1.14 C ATOM 845 C TRP A 61 17.235 2.373 -11.879 1.00 24.24 C ATOM 846 O TRP A 61 16.693 3.406 -12.271 1.00 44.02 O ATOM 847 CB TRP A 61 17.397 0.016 -12.750 1.00 75.21 C ATOM 848 CG TRP A 61 15.903 -0.136 -12.873 1.00 1.25 C ATOM 849 CD1 TRP A 61 15.113 0.205 -13.935 1.00 33.15 C ATOM 850 CD2 TRP A 61 15.038 -0.711 -11.898 1.00 2.51 C ATOM 851 NE1 TRP A 61 13.802 -0.121 -13.666 1.00 34.13 N ATOM 852 CE2 TRP A 61 13.735 -0.686 -12.411 1.00 35.34 C ATOM 853 CE3 TRP A 61 15.250 -1.234 -10.638 1.00 32.12 C ATOM 854 CZ2 TRP A 61 12.644 -1.185 -11.693 1.00 3.34 C ATOM 855 CZ3 TRP A 61 14.179 -1.724 -9.925 1.00 55.12 C ATOM 856 CH2 TRP A 61 12.895 -1.703 -10.455 1.00 42.14 C ATOM 0 H TRP A 61 19.684 0.643 -12.134 1.00 21.30 H new ATOM 0 HA TRP A 61 17.693 1.826 -13.874 1.00 1.14 H new ATOM 0 HB2 TRP A 61 17.872 -0.598 -13.515 1.00 75.21 H new ATOM 0 HB3 TRP A 61 17.708 -0.381 -11.784 1.00 75.21 H new ATOM 0 HD1 TRP A 61 15.464 0.662 -14.848 1.00 33.15 H new ATOM 0 HE1 TRP A 61 13.011 0.031 -14.292 1.00 34.13 H new ATOM 0 HE3 TRP A 61 16.244 -1.258 -10.217 1.00 32.12 H new ATOM 0 HZ2 TRP A 61 11.644 -1.162 -12.101 1.00 3.34 H new ATOM 0 HZ3 TRP A 61 14.340 -2.131 -8.938 1.00 55.12 H new ATOM 0 HH2 TRP A 61 12.078 -2.105 -9.875 1.00 42.14 H new ATOM 867 N PHE A 62 17.354 2.068 -10.598 1.00 43.21 N ATOM 868 CA PHE A 62 16.675 2.853 -9.585 1.00 70.31 C ATOM 869 C PHE A 62 17.231 4.239 -9.343 1.00 62.15 C ATOM 870 O PHE A 62 16.521 5.110 -8.852 1.00 63.15 O ATOM 871 CB PHE A 62 16.271 2.103 -8.302 1.00 11.12 C ATOM 872 CG PHE A 62 17.173 1.048 -7.831 1.00 62.32 C ATOM 873 CD1 PHE A 62 18.417 1.326 -7.308 1.00 15.25 C ATOM 874 CD2 PHE A 62 16.759 -0.247 -7.929 1.00 24.03 C ATOM 875 CE1 PHE A 62 19.238 0.288 -6.911 1.00 10.33 C ATOM 876 CE2 PHE A 62 17.539 -1.269 -7.534 1.00 4.02 C ATOM 877 CZ PHE A 62 18.784 -1.019 -7.030 1.00 54.12 C ATOM 0 H PHE A 62 17.908 1.291 -10.239 1.00 43.21 H new ATOM 0 HA PHE A 62 15.720 3.040 -10.076 1.00 70.31 H new ATOM 0 HB2 PHE A 62 16.162 2.836 -7.503 1.00 11.12 H new ATOM 0 HB3 PHE A 62 15.289 1.660 -8.465 1.00 11.12 H new ATOM 0 HD1 PHE A 62 18.748 2.349 -7.209 1.00 15.25 H new ATOM 0 HD2 PHE A 62 15.780 -0.458 -8.334 1.00 24.03 H new ATOM 0 HE1 PHE A 62 20.221 0.491 -6.513 1.00 10.33 H new ATOM 0 HE2 PHE A 62 17.182 -2.285 -7.615 1.00 4.02 H new ATOM 0 HZ PHE A 62 19.416 -1.839 -6.724 1.00 54.12 H new ATOM 887 N ARG A 63 18.498 4.467 -9.667 1.00 31.11 N ATOM 888 CA ARG A 63 19.078 5.809 -9.516 1.00 33.41 C ATOM 889 C ARG A 63 18.281 6.844 -10.343 1.00 63.51 C ATOM 890 O ARG A 63 18.192 8.012 -9.964 1.00 23.21 O ATOM 891 CB ARG A 63 20.574 5.843 -9.907 1.00 31.35 C ATOM 892 CG ARG A 63 21.240 7.201 -9.707 1.00 33.15 C ATOM 893 CD ARG A 63 21.217 7.609 -8.244 1.00 1.35 C ATOM 894 NE ARG A 63 21.566 9.023 -8.049 1.00 54.41 N ATOM 895 CZ ARG A 63 20.840 9.891 -7.305 1.00 12.40 C ATOM 896 NH1 ARG A 63 19.770 9.462 -6.619 1.00 15.44 N ATOM 897 NH2 ARG A 63 21.201 11.180 -7.239 1.00 35.41 N ATOM 0 H ARG A 63 19.138 3.760 -10.029 1.00 31.11 H new ATOM 0 HA ARG A 63 19.010 6.072 -8.460 1.00 33.41 H new ATOM 0 HB2 ARG A 63 21.109 5.098 -9.318 1.00 31.35 H new ATOM 0 HB3 ARG A 63 20.672 5.553 -10.953 1.00 31.35 H new ATOM 0 HG2 ARG A 63 22.270 7.160 -10.061 1.00 33.15 H new ATOM 0 HG3 ARG A 63 20.727 7.953 -10.306 1.00 33.15 H new ATOM 0 HD2 ARG A 63 20.224 7.423 -7.834 1.00 1.35 H new ATOM 0 HD3 ARG A 63 21.915 6.985 -7.685 1.00 1.35 H new ATOM 0 HE ARG A 63 22.409 9.373 -8.503 1.00 54.41 H new ATOM 0 HH11 ARG A 63 19.501 8.479 -6.657 1.00 15.44 H new ATOM 0 HH12 ARG A 63 19.226 10.119 -6.060 1.00 15.44 H new ATOM 0 HH21 ARG A 63 22.022 11.506 -7.749 1.00 35.41 H new ATOM 0 HH22 ARG A 63 20.655 11.835 -6.679 1.00 35.41 H new ATOM 911 N LYS A 64 17.661 6.382 -11.433 1.00 35.42 N ATOM 912 CA LYS A 64 16.860 7.244 -12.294 1.00 52.12 C ATOM 913 C LYS A 64 15.540 7.593 -11.630 1.00 74.21 C ATOM 914 O LYS A 64 14.942 8.620 -11.910 1.00 2.10 O ATOM 915 CB LYS A 64 16.567 6.564 -13.612 1.00 22.15 C ATOM 916 CG LYS A 64 17.796 6.154 -14.379 1.00 54.54 C ATOM 917 CD LYS A 64 17.445 6.013 -15.826 1.00 1.34 C ATOM 918 CE LYS A 64 18.599 5.474 -16.658 1.00 43.20 C ATOM 919 NZ LYS A 64 18.933 4.073 -16.305 1.00 21.35 N ATOM 0 H LYS A 64 17.702 5.409 -11.738 1.00 35.42 H new ATOM 0 HA LYS A 64 17.436 8.153 -12.469 1.00 52.12 H new ATOM 0 HB2 LYS A 64 15.957 5.680 -13.425 1.00 22.15 H new ATOM 0 HB3 LYS A 64 15.973 7.236 -14.231 1.00 22.15 H new ATOM 0 HG2 LYS A 64 18.583 6.898 -14.254 1.00 54.54 H new ATOM 0 HG3 LYS A 64 18.184 5.211 -13.992 1.00 54.54 H new ATOM 0 HD2 LYS A 64 16.588 5.346 -15.925 1.00 1.34 H new ATOM 0 HD3 LYS A 64 17.141 6.983 -16.219 1.00 1.34 H new ATOM 0 HE2 LYS A 64 18.340 5.529 -17.715 1.00 43.20 H new ATOM 0 HE3 LYS A 64 19.477 6.104 -16.511 1.00 43.20 H new ATOM 0 HZ1 LYS A 64 19.616 3.695 -16.992 1.00 21.35 H new ATOM 0 HZ2 LYS A 64 19.349 4.045 -15.352 1.00 21.35 H new ATOM 0 HZ3 LYS A 64 18.069 3.495 -16.322 1.00 21.35 H new ATOM 933 N ASN A 65 15.120 6.734 -10.722 1.00 53.42 N ATOM 934 CA ASN A 65 13.851 6.879 -10.012 1.00 30.14 C ATOM 935 C ASN A 65 14.053 7.702 -8.737 1.00 41.31 C ATOM 936 O ASN A 65 13.143 7.853 -7.926 1.00 52.10 O ATOM 937 CB ASN A 65 13.261 5.495 -9.647 1.00 14.32 C ATOM 938 CG ASN A 65 12.849 4.615 -10.827 1.00 62.32 C ATOM 939 OD1 ASN A 65 13.388 4.712 -11.930 1.00 71.30 O ATOM 940 ND2 ASN A 65 11.923 3.714 -10.582 1.00 24.03 N ATOM 0 H ASN A 65 15.650 5.906 -10.449 1.00 53.42 H new ATOM 0 HA ASN A 65 13.151 7.394 -10.670 1.00 30.14 H new ATOM 0 HB2 ASN A 65 13.997 4.953 -9.053 1.00 14.32 H new ATOM 0 HB3 ASN A 65 12.389 5.649 -9.011 1.00 14.32 H new ATOM 0 HD21 ASN A 65 11.632 3.069 -11.317 1.00 24.03 H new ATOM 0 HD22 ASN A 65 11.496 3.660 -9.657 1.00 24.03 H new ATOM 947 N GLY A 66 15.266 8.200 -8.545 1.00 75.53 N ATOM 948 CA GLY A 66 15.540 9.061 -7.414 1.00 22.45 C ATOM 949 C GLY A 66 16.282 8.377 -6.281 1.00 64.55 C ATOM 950 O GLY A 66 16.802 9.050 -5.388 1.00 44.10 O ATOM 0 H GLY A 66 16.066 8.023 -9.153 1.00 75.53 H new ATOM 0 HA2 GLY A 66 16.126 9.915 -7.754 1.00 22.45 H new ATOM 0 HA3 GLY A 66 14.597 9.453 -7.032 1.00 22.45 H new ATOM 954 N TYR A 67 16.366 7.055 -6.328 1.00 0.41 N ATOM 955 CA TYR A 67 17.022 6.263 -5.281 1.00 75.40 C ATOM 956 C TYR A 67 18.487 6.682 -5.104 1.00 41.25 C ATOM 957 O TYR A 67 19.228 6.788 -6.081 1.00 34.32 O ATOM 958 CB TYR A 67 16.972 4.789 -5.637 1.00 22.24 C ATOM 959 CG TYR A 67 15.609 4.113 -5.648 1.00 1.02 C ATOM 960 CD1 TYR A 67 14.693 4.348 -6.660 1.00 72.44 C ATOM 961 CD2 TYR A 67 15.275 3.183 -4.686 1.00 24.41 C ATOM 962 CE1 TYR A 67 13.490 3.684 -6.708 1.00 65.32 C ATOM 963 CE2 TYR A 67 14.078 2.508 -4.744 1.00 33.02 C ATOM 964 CZ TYR A 67 13.194 2.765 -5.751 1.00 70.10 C ATOM 965 OH TYR A 67 12.030 2.068 -5.814 1.00 72.01 O ATOM 0 H TYR A 67 15.983 6.495 -7.090 1.00 0.41 H new ATOM 0 HA TYR A 67 16.489 6.441 -4.347 1.00 75.40 H new ATOM 0 HB2 TYR A 67 17.416 4.667 -6.625 1.00 22.24 H new ATOM 0 HB3 TYR A 67 17.608 4.252 -4.933 1.00 22.24 H new ATOM 0 HD1 TYR A 67 14.929 5.069 -7.429 1.00 72.44 H new ATOM 0 HD2 TYR A 67 15.962 2.982 -3.877 1.00 24.41 H new ATOM 0 HE1 TYR A 67 12.786 3.891 -7.500 1.00 65.32 H new ATOM 0 HE2 TYR A 67 13.837 1.773 -3.991 1.00 33.02 H new ATOM 0 HH TYR A 67 12.068 1.435 -6.561 1.00 72.01 H new ATOM 975 N ARG A 68 18.884 6.958 -3.879 1.00 44.41 N ATOM 976 CA ARG A 68 20.197 7.339 -3.552 1.00 74.01 C ATOM 977 C ARG A 68 20.947 6.125 -3.016 1.00 65.41 C ATOM 978 O ARG A 68 20.678 5.680 -1.914 1.00 13.20 O ATOM 979 CB ARG A 68 20.107 8.404 -2.461 1.00 20.12 C ATOM 980 CG ARG A 68 21.431 8.910 -2.005 1.00 70.51 C ATOM 981 CD ARG A 68 21.641 8.751 -0.486 1.00 4.40 C ATOM 982 NE ARG A 68 21.713 7.333 -0.097 1.00 43.43 N ATOM 983 CZ ARG A 68 22.002 6.861 1.112 1.00 33.13 C ATOM 984 NH1 ARG A 68 22.081 7.650 2.147 1.00 55.41 N ATOM 985 NH2 ARG A 68 22.197 5.565 1.292 1.00 41.13 N ATOM 0 H ARG A 68 18.261 6.915 -3.072 1.00 44.41 H new ATOM 0 HA ARG A 68 20.722 7.727 -4.425 1.00 74.01 H new ATOM 0 HB2 ARG A 68 19.516 9.242 -2.832 1.00 20.12 H new ATOM 0 HB3 ARG A 68 19.572 7.991 -1.606 1.00 20.12 H new ATOM 0 HG2 ARG A 68 22.221 8.376 -2.534 1.00 70.51 H new ATOM 0 HG3 ARG A 68 21.524 9.963 -2.272 1.00 70.51 H new ATOM 0 HD2 ARG A 68 22.559 9.258 -0.190 1.00 4.40 H new ATOM 0 HD3 ARG A 68 20.823 9.235 0.048 1.00 4.40 H new ATOM 0 HE ARG A 68 21.523 6.646 -0.826 1.00 43.43 H new ATOM 0 HH11 ARG A 68 21.920 8.651 2.038 1.00 55.41 H new ATOM 0 HH12 ARG A 68 22.304 7.266 3.065 1.00 55.41 H new ATOM 0 HH21 ARG A 68 22.126 4.924 0.502 1.00 41.13 H new ATOM 0 HH22 ARG A 68 22.419 5.207 2.221 1.00 41.13 H new ATOM 999 N LEU A 69 21.813 5.552 -3.793 1.00 5.32 N ATOM 1000 CA LEU A 69 22.614 4.449 -3.316 1.00 24.51 C ATOM 1001 C LEU A 69 23.979 4.537 -3.874 1.00 63.22 C ATOM 1002 O LEU A 69 24.163 4.928 -5.036 1.00 41.03 O ATOM 1003 CB LEU A 69 22.025 3.056 -3.664 1.00 74.21 C ATOM 1004 CG LEU A 69 20.594 2.749 -3.205 1.00 63.02 C ATOM 1005 CD1 LEU A 69 19.574 3.290 -4.161 1.00 53.42 C ATOM 1006 CD2 LEU A 69 20.371 1.281 -2.982 1.00 4.21 C ATOM 0 H LEU A 69 21.989 5.823 -4.760 1.00 5.32 H new ATOM 0 HA LEU A 69 22.626 4.536 -2.230 1.00 24.51 H new ATOM 0 HB2 LEU A 69 22.062 2.938 -4.747 1.00 74.21 H new ATOM 0 HB3 LEU A 69 22.683 2.298 -3.238 1.00 74.21 H new ATOM 0 HG LEU A 69 20.468 3.255 -2.248 1.00 63.02 H new ATOM 0 HD11 LEU A 69 18.574 3.051 -3.799 1.00 53.42 H new ATOM 0 HD12 LEU A 69 19.684 4.372 -4.237 1.00 53.42 H new ATOM 0 HD13 LEU A 69 19.722 2.841 -5.143 1.00 53.42 H new ATOM 0 HD21 LEU A 69 19.344 1.114 -2.658 1.00 4.21 H new ATOM 0 HD22 LEU A 69 20.551 0.740 -3.911 1.00 4.21 H new ATOM 0 HD23 LEU A 69 21.056 0.921 -2.214 1.00 4.21 H new ATOM 1018 N THR A 70 24.935 4.250 -3.048 1.00 61.01 N ATOM 1019 CA THR A 70 26.254 4.060 -3.512 1.00 35.14 C ATOM 1020 C THR A 70 26.396 2.561 -3.626 1.00 73.31 C ATOM 1021 O THR A 70 25.449 1.856 -3.338 1.00 62.41 O ATOM 1022 CB THR A 70 27.341 4.681 -2.575 1.00 72.42 C ATOM 1023 OG1 THR A 70 27.328 4.085 -1.274 1.00 25.44 O ATOM 1024 CG2 THR A 70 27.148 6.185 -2.443 1.00 44.22 C ATOM 0 H THR A 70 24.815 4.143 -2.041 1.00 61.01 H new ATOM 0 HA THR A 70 26.416 4.573 -4.460 1.00 35.14 H new ATOM 0 HB THR A 70 28.308 4.478 -3.036 1.00 72.42 H new ATOM 0 HG1 THR A 70 26.423 3.771 -1.067 1.00 25.44 H new ATOM 0 HG21 THR A 70 27.916 6.594 -1.786 1.00 44.22 H new ATOM 0 HG22 THR A 70 27.226 6.649 -3.426 1.00 44.22 H new ATOM 0 HG23 THR A 70 26.164 6.390 -2.022 1.00 44.22 H new ATOM 1032 N LEU A 71 27.518 2.051 -4.008 1.00 33.02 N ATOM 1033 CA LEU A 71 27.608 0.608 -4.202 1.00 42.23 C ATOM 1034 C LEU A 71 27.738 -0.118 -2.864 1.00 15.41 C ATOM 1035 O LEU A 71 27.468 -1.302 -2.742 1.00 44.45 O ATOM 1036 CB LEU A 71 28.737 0.215 -5.165 1.00 54.15 C ATOM 1037 CG LEU A 71 28.706 0.862 -6.574 1.00 23.41 C ATOM 1038 CD1 LEU A 71 27.318 0.789 -7.167 1.00 23.41 C ATOM 1039 CD2 LEU A 71 29.179 2.300 -6.538 1.00 50.30 C ATOM 0 H LEU A 71 28.373 2.576 -4.193 1.00 33.02 H new ATOM 0 HA LEU A 71 26.676 0.291 -4.670 1.00 42.23 H new ATOM 0 HB2 LEU A 71 29.688 0.467 -4.696 1.00 54.15 H new ATOM 0 HB3 LEU A 71 28.719 -0.868 -5.287 1.00 54.15 H new ATOM 0 HG LEU A 71 29.391 0.296 -7.205 1.00 23.41 H new ATOM 0 HD11 LEU A 71 27.320 1.249 -8.155 1.00 23.41 H new ATOM 0 HD12 LEU A 71 27.013 -0.254 -7.253 1.00 23.41 H new ATOM 0 HD13 LEU A 71 26.618 1.320 -6.521 1.00 23.41 H new ATOM 0 HD21 LEU A 71 29.143 2.720 -7.543 1.00 50.30 H new ATOM 0 HD22 LEU A 71 28.532 2.879 -5.879 1.00 50.30 H new ATOM 0 HD23 LEU A 71 30.203 2.337 -6.165 1.00 50.30 H new ATOM 1051 N ARG A 72 28.087 0.662 -1.880 1.00 15.44 N ATOM 1052 CA ARG A 72 28.361 0.247 -0.503 1.00 54.14 C ATOM 1053 C ARG A 72 27.212 -0.553 0.110 1.00 62.24 C ATOM 1054 O ARG A 72 27.405 -1.675 0.544 1.00 22.20 O ATOM 1055 CB ARG A 72 28.581 1.522 0.305 1.00 13.44 C ATOM 1056 CG ARG A 72 28.566 1.371 1.815 1.00 64.21 C ATOM 1057 CD ARG A 72 28.230 2.707 2.483 1.00 34.43 C ATOM 1058 NE ARG A 72 26.889 3.207 2.071 1.00 14.20 N ATOM 1059 CZ ARG A 72 26.043 3.932 2.841 1.00 64.25 C ATOM 1060 NH1 ARG A 72 26.373 4.276 4.082 1.00 71.55 N ATOM 1061 NH2 ARG A 72 24.873 4.312 2.360 1.00 20.32 N ATOM 0 H ARG A 72 28.199 1.668 -2.009 1.00 15.44 H new ATOM 0 HA ARG A 72 29.233 -0.407 -0.492 1.00 54.14 H new ATOM 0 HB2 ARG A 72 29.540 1.951 0.013 1.00 13.44 H new ATOM 0 HB3 ARG A 72 27.812 2.242 0.025 1.00 13.44 H new ATOM 0 HG2 ARG A 72 27.833 0.618 2.104 1.00 64.21 H new ATOM 0 HG3 ARG A 72 29.538 1.019 2.161 1.00 64.21 H new ATOM 0 HD2 ARG A 72 28.257 2.589 3.566 1.00 34.43 H new ATOM 0 HD3 ARG A 72 28.989 3.445 2.223 1.00 34.43 H new ATOM 0 HE ARG A 72 26.580 2.984 1.125 1.00 14.20 H new ATOM 0 HH11 ARG A 72 27.274 3.994 4.467 1.00 71.55 H new ATOM 0 HH12 ARG A 72 25.725 4.822 4.649 1.00 71.55 H new ATOM 0 HH21 ARG A 72 24.606 4.059 1.408 1.00 20.32 H new ATOM 0 HH22 ARG A 72 24.236 4.858 2.940 1.00 20.32 H new ATOM 1075 N GLU A 73 26.040 0.030 0.137 1.00 43.03 N ATOM 1076 CA GLU A 73 24.888 -0.564 0.788 1.00 25.42 C ATOM 1077 C GLU A 73 24.439 -1.882 0.177 1.00 35.33 C ATOM 1078 O GLU A 73 23.975 -2.767 0.886 1.00 63.21 O ATOM 1079 CB GLU A 73 23.731 0.425 0.947 1.00 31.42 C ATOM 1080 CG GLU A 73 23.500 1.242 -0.270 1.00 34.31 C ATOM 1081 CD GLU A 73 24.260 2.557 -0.256 1.00 3.41 C ATOM 1082 OE1 GLU A 73 25.494 2.548 -0.397 1.00 4.22 O ATOM 1083 OE2 GLU A 73 23.647 3.613 -0.090 1.00 14.13 O ATOM 0 H GLU A 73 25.852 0.936 -0.293 1.00 43.03 H new ATOM 0 HA GLU A 73 25.233 -0.818 1.790 1.00 25.42 H new ATOM 0 HB2 GLU A 73 22.821 -0.124 1.188 1.00 31.42 H new ATOM 0 HB3 GLU A 73 23.937 1.086 1.789 1.00 31.42 H new ATOM 0 HG2 GLU A 73 23.795 0.667 -1.148 1.00 34.31 H new ATOM 0 HG3 GLU A 73 22.434 1.446 -0.367 1.00 34.31 H new ATOM 1090 N LEU A 74 24.651 -2.044 -1.114 1.00 52.41 N ATOM 1091 CA LEU A 74 24.221 -3.262 -1.789 1.00 21.14 C ATOM 1092 C LEU A 74 25.292 -4.325 -1.674 1.00 24.24 C ATOM 1093 O LEU A 74 25.080 -5.480 -2.011 1.00 73.13 O ATOM 1094 CB LEU A 74 23.870 -3.008 -3.264 1.00 54.55 C ATOM 1095 CG LEU A 74 22.973 -1.806 -3.521 1.00 3.54 C ATOM 1096 CD1 LEU A 74 23.806 -0.587 -3.795 1.00 75.13 C ATOM 1097 CD2 LEU A 74 21.980 -2.056 -4.632 1.00 55.43 C ATOM 0 H LEU A 74 25.112 -1.360 -1.714 1.00 52.41 H new ATOM 0 HA LEU A 74 23.314 -3.612 -1.297 1.00 21.14 H new ATOM 0 HB2 LEU A 74 24.796 -2.876 -3.823 1.00 54.55 H new ATOM 0 HB3 LEU A 74 23.381 -3.897 -3.662 1.00 54.55 H new ATOM 0 HG LEU A 74 22.386 -1.633 -2.619 1.00 3.54 H new ATOM 0 HD11 LEU A 74 23.153 0.266 -3.977 1.00 75.13 H new ATOM 0 HD12 LEU A 74 24.442 -0.380 -2.934 1.00 75.13 H new ATOM 0 HD13 LEU A 74 24.429 -0.761 -4.673 1.00 75.13 H new ATOM 0 HD21 LEU A 74 21.364 -1.168 -4.776 1.00 55.43 H new ATOM 0 HD22 LEU A 74 22.515 -2.280 -5.555 1.00 55.43 H new ATOM 0 HD23 LEU A 74 21.343 -2.900 -4.368 1.00 55.43 H new ATOM 1109 N TYR A 75 26.440 -3.904 -1.207 1.00 53.20 N ATOM 1110 CA TYR A 75 27.558 -4.777 -0.965 1.00 15.45 C ATOM 1111 C TYR A 75 27.602 -5.217 0.478 1.00 43.01 C ATOM 1112 O TYR A 75 27.834 -6.381 0.772 1.00 24.32 O ATOM 1113 CB TYR A 75 28.866 -4.080 -1.333 1.00 31.35 C ATOM 1114 CG TYR A 75 29.302 -4.274 -2.757 1.00 2.33 C ATOM 1115 CD1 TYR A 75 29.220 -5.527 -3.368 1.00 71.12 C ATOM 1116 CD2 TYR A 75 29.819 -3.218 -3.486 1.00 41.34 C ATOM 1117 CE1 TYR A 75 29.637 -5.709 -4.663 1.00 1.01 C ATOM 1118 CE2 TYR A 75 30.247 -3.391 -4.788 1.00 13.02 C ATOM 1119 CZ TYR A 75 30.155 -4.635 -5.373 1.00 14.12 C ATOM 1120 OH TYR A 75 30.576 -4.811 -6.671 1.00 20.15 O ATOM 0 H TYR A 75 26.626 -2.927 -0.981 1.00 53.20 H new ATOM 0 HA TYR A 75 27.434 -5.660 -1.591 1.00 15.45 H new ATOM 0 HB2 TYR A 75 28.759 -3.012 -1.143 1.00 31.35 H new ATOM 0 HB3 TYR A 75 29.654 -4.444 -0.673 1.00 31.35 H new ATOM 0 HD1 TYR A 75 28.823 -6.365 -2.814 1.00 71.12 H new ATOM 0 HD2 TYR A 75 29.889 -2.242 -3.029 1.00 41.34 H new ATOM 0 HE1 TYR A 75 29.562 -6.682 -5.126 1.00 1.01 H new ATOM 0 HE2 TYR A 75 30.651 -2.557 -5.343 1.00 13.02 H new ATOM 0 HH TYR A 75 30.910 -3.960 -7.025 1.00 20.15 H new ATOM 1130 N ALA A 76 27.382 -4.275 1.371 1.00 25.52 N ATOM 1131 CA ALA A 76 27.440 -4.545 2.789 1.00 11.00 C ATOM 1132 C ALA A 76 26.235 -5.352 3.246 1.00 24.53 C ATOM 1133 O ALA A 76 26.341 -6.192 4.131 1.00 32.30 O ATOM 1134 CB ALA A 76 27.562 -3.252 3.581 1.00 74.30 C ATOM 0 H ALA A 76 27.160 -3.308 1.135 1.00 25.52 H new ATOM 0 HA ALA A 76 28.331 -5.144 2.979 1.00 11.00 H new ATOM 0 HB1 ALA A 76 27.604 -3.480 4.646 1.00 74.30 H new ATOM 0 HB2 ALA A 76 28.472 -2.729 3.286 1.00 74.30 H new ATOM 0 HB3 ALA A 76 26.698 -2.619 3.379 1.00 74.30 H new ATOM 1140 N ALA A 77 25.098 -5.088 2.645 1.00 41.41 N ATOM 1141 CA ALA A 77 23.904 -5.818 2.962 1.00 43.52 C ATOM 1142 C ALA A 77 23.178 -6.200 1.683 1.00 65.30 C ATOM 1143 O ALA A 77 22.252 -5.514 1.245 1.00 1.30 O ATOM 1144 CB ALA A 77 22.999 -5.020 3.897 1.00 2.31 C ATOM 0 H ALA A 77 24.980 -4.369 1.931 1.00 41.41 H new ATOM 0 HA ALA A 77 24.183 -6.731 3.489 1.00 43.52 H new ATOM 0 HB1 ALA A 77 22.103 -5.600 4.118 1.00 2.31 H new ATOM 0 HB2 ALA A 77 23.531 -4.806 4.824 1.00 2.31 H new ATOM 0 HB3 ALA A 77 22.716 -4.083 3.417 1.00 2.31 H new ATOM 1150 N PRO A 78 23.615 -7.265 1.016 1.00 22.52 N ATOM 1151 CA PRO A 78 23.013 -7.684 -0.207 1.00 75.12 C ATOM 1152 C PRO A 78 21.920 -8.699 0.035 1.00 3.04 C ATOM 1153 O PRO A 78 22.160 -9.895 0.022 1.00 32.12 O ATOM 1154 CB PRO A 78 24.177 -8.323 -0.973 1.00 11.43 C ATOM 1155 CG PRO A 78 25.245 -8.617 0.060 1.00 10.03 C ATOM 1156 CD PRO A 78 24.729 -8.139 1.394 1.00 33.24 C ATOM 0 HA PRO A 78 22.539 -6.862 -0.743 1.00 75.12 H new ATOM 0 HB2 PRO A 78 23.859 -9.236 -1.476 1.00 11.43 H new ATOM 0 HB3 PRO A 78 24.554 -7.650 -1.743 1.00 11.43 H new ATOM 0 HG2 PRO A 78 25.463 -9.685 0.093 1.00 10.03 H new ATOM 0 HG3 PRO A 78 26.175 -8.110 -0.195 1.00 10.03 H new ATOM 0 HD2 PRO A 78 24.399 -8.968 2.021 1.00 33.24 H new ATOM 0 HD3 PRO A 78 25.493 -7.601 1.954 1.00 33.24 H new ATOM 1164 N THR A 79 20.744 -8.215 0.274 1.00 14.03 N ATOM 1165 CA THR A 79 19.572 -9.024 0.494 1.00 12.33 C ATOM 1166 C THR A 79 18.413 -8.181 0.051 1.00 53.03 C ATOM 1167 O THR A 79 18.465 -6.963 0.207 1.00 53.40 O ATOM 1168 CB THR A 79 19.361 -9.361 2.019 1.00 1.22 C ATOM 1169 OG1 THR A 79 19.330 -8.157 2.787 1.00 3.44 O ATOM 1170 CG2 THR A 79 20.440 -10.265 2.588 1.00 4.43 C ATOM 0 H THR A 79 20.559 -7.213 0.325 1.00 14.03 H new ATOM 0 HA THR A 79 19.669 -9.967 -0.045 1.00 12.33 H new ATOM 0 HB THR A 79 18.412 -9.893 2.083 1.00 1.22 H new ATOM 0 HG1 THR A 79 19.197 -8.376 3.733 1.00 3.44 H new ATOM 0 HG21 THR A 79 20.235 -10.458 3.641 1.00 4.43 H new ATOM 0 HG22 THR A 79 20.450 -11.208 2.042 1.00 4.43 H new ATOM 0 HG23 THR A 79 21.411 -9.779 2.490 1.00 4.43 H new ATOM 1178 N LEU A 80 17.366 -8.767 -0.478 1.00 53.43 N ATOM 1179 CA LEU A 80 16.206 -7.967 -0.840 1.00 22.24 C ATOM 1180 C LEU A 80 15.517 -7.503 0.398 1.00 34.12 C ATOM 1181 O LEU A 80 14.787 -6.522 0.404 1.00 0.01 O ATOM 1182 CB LEU A 80 15.262 -8.715 -1.730 1.00 22.41 C ATOM 1183 CG LEU A 80 15.778 -8.996 -3.101 1.00 64.42 C ATOM 1184 CD1 LEU A 80 14.698 -9.655 -3.916 1.00 53.31 C ATOM 1185 CD2 LEU A 80 16.241 -7.720 -3.800 1.00 62.21 C ATOM 0 H LEU A 80 17.286 -9.766 -0.666 1.00 53.43 H new ATOM 0 HA LEU A 80 16.552 -7.103 -1.408 1.00 22.24 H new ATOM 0 HB2 LEU A 80 15.009 -9.661 -1.252 1.00 22.41 H new ATOM 0 HB3 LEU A 80 14.338 -8.144 -1.816 1.00 22.41 H new ATOM 0 HG LEU A 80 16.638 -9.659 -3.010 1.00 64.42 H new ATOM 0 HD11 LEU A 80 15.073 -9.861 -4.918 1.00 53.31 H new ATOM 0 HD12 LEU A 80 14.402 -10.590 -3.440 1.00 53.31 H new ATOM 0 HD13 LEU A 80 13.835 -8.992 -3.981 1.00 53.31 H new ATOM 0 HD21 LEU A 80 16.610 -7.964 -4.796 1.00 62.21 H new ATOM 0 HD22 LEU A 80 15.404 -7.027 -3.883 1.00 62.21 H new ATOM 0 HD23 LEU A 80 17.040 -7.257 -3.220 1.00 62.21 H new ATOM 1197 N ALA A 81 15.768 -8.230 1.437 1.00 21.22 N ATOM 1198 CA ALA A 81 15.321 -7.877 2.776 1.00 32.03 C ATOM 1199 C ALA A 81 15.864 -6.481 3.171 1.00 73.22 C ATOM 1200 O ALA A 81 15.119 -5.621 3.644 1.00 55.25 O ATOM 1201 CB ALA A 81 15.772 -8.930 3.778 1.00 32.42 C ATOM 0 H ALA A 81 16.296 -9.102 1.396 1.00 21.22 H new ATOM 0 HA ALA A 81 14.232 -7.839 2.784 1.00 32.03 H new ATOM 0 HB1 ALA A 81 15.431 -8.653 4.775 1.00 32.42 H new ATOM 0 HB2 ALA A 81 15.349 -9.897 3.505 1.00 32.42 H new ATOM 0 HB3 ALA A 81 16.860 -8.996 3.772 1.00 32.42 H new ATOM 1207 N ALA A 82 17.156 -6.252 2.954 1.00 61.15 N ATOM 1208 CA ALA A 82 17.754 -4.958 3.253 1.00 61.20 C ATOM 1209 C ALA A 82 17.468 -3.955 2.146 1.00 73.25 C ATOM 1210 O ALA A 82 17.233 -2.775 2.414 1.00 72.12 O ATOM 1211 CB ALA A 82 19.250 -5.079 3.481 1.00 35.43 C ATOM 0 H ALA A 82 17.804 -6.942 2.574 1.00 61.15 H new ATOM 0 HA ALA A 82 17.299 -4.595 4.174 1.00 61.20 H new ATOM 0 HB1 ALA A 82 19.665 -4.096 3.702 1.00 35.43 H new ATOM 0 HB2 ALA A 82 19.437 -5.749 4.320 1.00 35.43 H new ATOM 0 HB3 ALA A 82 19.723 -5.480 2.585 1.00 35.43 H new ATOM 1217 N TRP A 83 17.459 -4.426 0.904 1.00 30.24 N ATOM 1218 CA TRP A 83 17.209 -3.553 -0.239 1.00 54.32 C ATOM 1219 C TRP A 83 15.821 -2.951 -0.192 1.00 43.42 C ATOM 1220 O TRP A 83 15.652 -1.822 -0.568 1.00 43.52 O ATOM 1221 CB TRP A 83 17.471 -4.240 -1.592 1.00 73.34 C ATOM 1222 CG TRP A 83 18.920 -4.612 -1.840 1.00 43.53 C ATOM 1223 CD1 TRP A 83 19.954 -4.569 -0.946 1.00 11.21 C ATOM 1224 CD2 TRP A 83 19.482 -5.085 -3.070 1.00 13.11 C ATOM 1225 NE1 TRP A 83 21.108 -5.004 -1.531 1.00 14.04 N ATOM 1226 CE2 TRP A 83 20.852 -5.322 -2.839 1.00 45.21 C ATOM 1227 CE3 TRP A 83 18.959 -5.335 -4.343 1.00 44.52 C ATOM 1228 CZ2 TRP A 83 21.702 -5.798 -3.834 1.00 14.23 C ATOM 1229 CZ3 TRP A 83 19.805 -5.804 -5.329 1.00 54.11 C ATOM 1230 CH2 TRP A 83 21.160 -6.032 -5.069 1.00 23.15 C ATOM 0 H TRP A 83 17.621 -5.404 0.662 1.00 30.24 H new ATOM 0 HA TRP A 83 17.932 -2.741 -0.158 1.00 54.32 H new ATOM 0 HB2 TRP A 83 16.863 -5.143 -1.650 1.00 73.34 H new ATOM 0 HB3 TRP A 83 17.137 -3.578 -2.391 1.00 73.34 H new ATOM 0 HD1 TRP A 83 19.869 -4.238 0.078 1.00 11.21 H new ATOM 0 HE1 TRP A 83 22.014 -5.080 -1.069 1.00 14.04 H new ATOM 0 HE3 TRP A 83 17.913 -5.164 -4.551 1.00 44.52 H new ATOM 0 HZ2 TRP A 83 22.749 -5.976 -3.639 1.00 14.23 H new ATOM 0 HZ3 TRP A 83 19.414 -5.998 -6.317 1.00 54.11 H new ATOM 0 HH2 TRP A 83 21.794 -6.402 -5.861 1.00 23.15 H new ATOM 1241 N ASN A 84 14.841 -3.696 0.311 1.00 51.14 N ATOM 1242 CA ASN A 84 13.476 -3.162 0.469 1.00 31.52 C ATOM 1243 C ASN A 84 13.494 -1.928 1.365 1.00 74.45 C ATOM 1244 O ASN A 84 12.904 -0.902 1.038 1.00 43.31 O ATOM 1245 CB ASN A 84 12.521 -4.225 1.038 1.00 13.42 C ATOM 1246 CG ASN A 84 11.120 -3.687 1.318 1.00 24.22 C ATOM 1247 OD1 ASN A 84 10.827 -3.243 2.413 1.00 51.44 O ATOM 1248 ND2 ASN A 84 10.257 -3.718 0.331 1.00 72.44 N ATOM 0 H ASN A 84 14.956 -4.663 0.616 1.00 51.14 H new ATOM 0 HA ASN A 84 13.108 -2.879 -0.517 1.00 31.52 H new ATOM 0 HB2 ASN A 84 12.451 -5.055 0.335 1.00 13.42 H new ATOM 0 HB3 ASN A 84 12.941 -4.625 1.961 1.00 13.42 H new ATOM 0 HD21 ASN A 84 9.311 -3.364 0.470 1.00 72.44 H new ATOM 0 HD22 ASN A 84 10.532 -4.096 -0.575 1.00 72.44 H new ATOM 1255 N GLN A 85 14.246 -2.023 2.447 1.00 44.32 N ATOM 1256 CA GLN A 85 14.413 -0.930 3.395 1.00 20.52 C ATOM 1257 C GLN A 85 15.111 0.253 2.712 1.00 72.45 C ATOM 1258 O GLN A 85 14.725 1.410 2.898 1.00 41.42 O ATOM 1259 CB GLN A 85 15.191 -1.425 4.609 1.00 63.43 C ATOM 1260 CG GLN A 85 14.429 -2.470 5.417 1.00 0.12 C ATOM 1261 CD GLN A 85 15.283 -3.145 6.466 1.00 1.41 C ATOM 1262 OE1 GLN A 85 15.398 -2.679 7.584 1.00 2.22 O ATOM 1263 NE2 GLN A 85 15.840 -4.279 6.125 1.00 64.14 N ATOM 0 H GLN A 85 14.763 -2.866 2.697 1.00 44.32 H new ATOM 0 HA GLN A 85 13.439 -0.582 3.738 1.00 20.52 H new ATOM 0 HB2 GLN A 85 16.139 -1.849 4.278 1.00 63.43 H new ATOM 0 HB3 GLN A 85 15.428 -0.578 5.252 1.00 63.43 H new ATOM 0 HG2 GLN A 85 13.576 -1.995 5.902 1.00 0.12 H new ATOM 0 HG3 GLN A 85 14.031 -3.225 4.740 1.00 0.12 H new ATOM 0 HE21 GLN A 85 15.723 -4.640 5.178 1.00 64.14 H new ATOM 0 HE22 GLN A 85 16.391 -4.801 6.806 1.00 64.14 H new ATOM 1272 N LEU A 86 16.113 -0.054 1.899 1.00 13.13 N ATOM 1273 CA LEU A 86 16.792 0.941 1.067 1.00 64.23 C ATOM 1274 C LEU A 86 15.806 1.629 0.133 1.00 5.21 C ATOM 1275 O LEU A 86 15.755 2.862 0.043 1.00 51.31 O ATOM 1276 CB LEU A 86 17.880 0.265 0.230 1.00 55.14 C ATOM 1277 CG LEU A 86 19.209 0.030 0.923 1.00 41.03 C ATOM 1278 CD1 LEU A 86 20.046 -0.936 0.121 1.00 43.32 C ATOM 1279 CD2 LEU A 86 19.941 1.338 1.010 1.00 13.21 C ATOM 0 H LEU A 86 16.481 -1.000 1.795 1.00 13.13 H new ATOM 0 HA LEU A 86 17.238 1.686 1.726 1.00 64.23 H new ATOM 0 HB2 LEU A 86 17.499 -0.696 -0.115 1.00 55.14 H new ATOM 0 HB3 LEU A 86 18.059 0.874 -0.656 1.00 55.14 H new ATOM 0 HG LEU A 86 19.031 -0.382 1.916 1.00 41.03 H new ATOM 0 HD11 LEU A 86 20.998 -1.099 0.626 1.00 43.32 H new ATOM 0 HD12 LEU A 86 19.518 -1.885 0.028 1.00 43.32 H new ATOM 0 HD13 LEU A 86 20.228 -0.523 -0.871 1.00 43.32 H new ATOM 0 HD21 LEU A 86 20.900 1.186 1.506 1.00 13.21 H new ATOM 0 HD22 LEU A 86 20.110 1.728 0.006 1.00 13.21 H new ATOM 0 HD23 LEU A 86 19.346 2.051 1.581 1.00 13.21 H new ATOM 1291 N MET A 87 15.000 0.826 -0.508 1.00 13.33 N ATOM 1292 CA MET A 87 14.041 1.273 -1.499 1.00 0.51 C ATOM 1293 C MET A 87 12.951 2.142 -0.918 1.00 12.43 C ATOM 1294 O MET A 87 12.400 3.002 -1.610 1.00 61.35 O ATOM 1295 CB MET A 87 13.431 0.097 -2.233 1.00 2.41 C ATOM 1296 CG MET A 87 14.426 -0.705 -3.048 1.00 42.44 C ATOM 1297 SD MET A 87 13.652 -2.042 -3.937 1.00 74.22 S ATOM 1298 CE MET A 87 12.557 -1.080 -4.964 1.00 24.22 C ATOM 0 H MET A 87 14.987 -0.183 -0.357 1.00 13.33 H new ATOM 0 HA MET A 87 14.600 1.888 -2.204 1.00 0.51 H new ATOM 0 HB2 MET A 87 12.955 -0.563 -1.508 1.00 2.41 H new ATOM 0 HB3 MET A 87 12.646 0.463 -2.895 1.00 2.41 H new ATOM 0 HG2 MET A 87 14.929 -0.045 -3.755 1.00 42.44 H new ATOM 0 HG3 MET A 87 15.193 -1.108 -2.387 1.00 42.44 H new ATOM 0 HE1 MET A 87 12.390 -1.602 -5.906 1.00 24.22 H new ATOM 0 HE2 MET A 87 11.605 -0.942 -4.451 1.00 24.22 H new ATOM 0 HE3 MET A 87 13.006 -0.107 -5.163 1.00 24.22 H new ATOM 1308 N LEU A 88 12.617 1.932 0.322 1.00 63.22 N ATOM 1309 CA LEU A 88 11.625 2.751 0.935 1.00 40.13 C ATOM 1310 C LEU A 88 12.173 3.980 1.639 1.00 42.01 C ATOM 1311 O LEU A 88 11.426 4.925 1.913 1.00 13.54 O ATOM 1312 CB LEU A 88 10.645 1.954 1.752 1.00 72.21 C ATOM 1313 CG LEU A 88 11.170 1.020 2.784 1.00 13.20 C ATOM 1314 CD1 LEU A 88 11.590 1.768 4.025 1.00 64.15 C ATOM 1315 CD2 LEU A 88 10.113 0.015 3.051 1.00 44.30 C ATOM 0 H LEU A 88 13.015 1.207 0.919 1.00 63.22 H new ATOM 0 HA LEU A 88 11.047 3.172 0.113 1.00 40.13 H new ATOM 0 HB2 LEU A 88 9.980 2.659 2.251 1.00 72.21 H new ATOM 0 HB3 LEU A 88 10.033 1.374 1.061 1.00 72.21 H new ATOM 0 HG LEU A 88 12.068 0.512 2.432 1.00 13.20 H new ATOM 0 HD11 LEU A 88 11.970 1.063 4.764 1.00 64.15 H new ATOM 0 HD12 LEU A 88 12.372 2.484 3.771 1.00 64.15 H new ATOM 0 HD13 LEU A 88 10.732 2.299 4.438 1.00 64.15 H new ATOM 0 HD21 LEU A 88 10.463 -0.690 3.805 1.00 44.30 H new ATOM 0 HD22 LEU A 88 9.216 0.518 3.412 1.00 44.30 H new ATOM 0 HD23 LEU A 88 9.882 -0.523 2.132 1.00 44.30 H new