USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -0.64 K(o=1.5,f=-14!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.698 K(o=1.5,f=-14!) USER MOD Set 1.3: A 68 ASN : amide:sc= 0 K(o=1.5,f=-0.98) USER MOD Set 1.4: A 70 THR OG1 : rot 88:sc= 1.4 USER MOD Set 2.1: A 21 TYR OH : rot -154:sc= 1.1 USER MOD Set 2.2: A 28 ASN : amide:sc= 1.29 K(o=2.4,f=-0.089) USER MOD Single : A 7 THR OG1 : rot 33:sc= 0.0582 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.989 K(o=0.99,f=-7.2!) USER MOD Single : A 37 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.054) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -22:sc= 0.521 USER MOD Single : A 73 ASN : amide:sc= 2.15 K(o=2.2,f=-7.2!) USER MOD Single : A 74 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.8) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0.13 USER MOD Single : A 99 MET CE :methyl -147:sc= -0.412 (180deg=-1.33) USER MOD Single : A 100 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.520 -8.171 1.956 1.00 12.21 N ATOM 63 CA THR A 7 -4.271 -6.942 2.633 1.00 75.21 C ATOM 64 C THR A 7 -4.226 -5.837 1.599 1.00 34.20 C ATOM 65 O THR A 7 -3.552 -5.971 0.576 1.00 10.43 O ATOM 66 CB THR A 7 -2.932 -6.975 3.414 1.00 65.02 C ATOM 67 OG1 THR A 7 -2.949 -8.052 4.375 1.00 2.52 O ATOM 68 CG2 THR A 7 -2.689 -5.650 4.144 1.00 22.33 C ATOM 0 HA THR A 7 -5.067 -6.772 3.358 1.00 75.21 H new ATOM 0 HB THR A 7 -2.127 -7.132 2.697 1.00 65.02 H new ATOM 0 HG1 THR A 7 -3.473 -8.800 4.019 1.00 2.52 H new ATOM 0 HG21 THR A 7 -1.743 -5.700 4.684 1.00 22.33 H new ATOM 0 HG22 THR A 7 -2.650 -4.837 3.419 1.00 22.33 H new ATOM 0 HG23 THR A 7 -3.500 -5.469 4.849 1.00 22.33 H new ATOM 76 N SER A 8 -4.982 -4.817 1.822 1.00 41.14 N ATOM 77 CA SER A 8 -4.987 -3.669 0.978 1.00 45.13 C ATOM 78 C SER A 8 -4.678 -2.440 1.814 1.00 42.52 C ATOM 79 O SER A 8 -5.311 -2.204 2.846 1.00 2.32 O ATOM 80 CB SER A 8 -6.337 -3.539 0.270 1.00 52.51 C ATOM 81 OG SER A 8 -6.600 -4.699 -0.519 1.00 5.14 O ATOM 0 H SER A 8 -5.626 -4.755 2.610 1.00 41.14 H new ATOM 0 HA SER A 8 -4.222 -3.770 0.208 1.00 45.13 H new ATOM 0 HB2 SER A 8 -7.129 -3.405 1.006 1.00 52.51 H new ATOM 0 HB3 SER A 8 -6.338 -2.652 -0.364 1.00 52.51 H new ATOM 0 HG SER A 8 -7.467 -4.602 -0.964 1.00 5.14 H new ATOM 87 N VAL A 9 -3.676 -1.710 1.414 1.00 14.04 N ATOM 88 CA VAL A 9 -3.284 -0.514 2.113 1.00 25.20 C ATOM 89 C VAL A 9 -4.053 0.648 1.531 1.00 62.30 C ATOM 90 O VAL A 9 -4.020 0.880 0.321 1.00 3.41 O ATOM 91 CB VAL A 9 -1.768 -0.245 1.978 1.00 64.25 C ATOM 92 CG1 VAL A 9 -1.355 0.961 2.806 1.00 34.35 C ATOM 93 CG2 VAL A 9 -0.957 -1.466 2.371 1.00 74.44 C ATOM 0 H VAL A 9 -3.107 -1.925 0.595 1.00 14.04 H new ATOM 0 HA VAL A 9 -3.505 -0.639 3.173 1.00 25.20 H new ATOM 0 HB VAL A 9 -1.562 -0.027 0.930 1.00 64.25 H new ATOM 0 HG11 VAL A 9 -0.284 1.130 2.694 1.00 34.35 H new ATOM 0 HG12 VAL A 9 -1.899 1.841 2.463 1.00 34.35 H new ATOM 0 HG13 VAL A 9 -1.586 0.778 3.855 1.00 34.35 H new ATOM 0 HG21 VAL A 9 0.105 -1.246 2.266 1.00 74.44 H new ATOM 0 HG22 VAL A 9 -1.173 -1.728 3.407 1.00 74.44 H new ATOM 0 HG23 VAL A 9 -1.221 -2.302 1.723 1.00 74.44 H new ATOM 103 N THR A 10 -4.736 1.341 2.360 1.00 55.21 N ATOM 104 CA THR A 10 -5.532 2.433 1.957 1.00 64.33 C ATOM 105 C THR A 10 -4.994 3.703 2.605 1.00 31.04 C ATOM 106 O THR A 10 -4.796 3.755 3.827 1.00 72.11 O ATOM 107 CB THR A 10 -6.997 2.196 2.382 1.00 4.31 C ATOM 108 OG1 THR A 10 -7.432 0.901 1.914 1.00 45.22 O ATOM 109 CG2 THR A 10 -7.902 3.260 1.790 1.00 1.53 C ATOM 0 H THR A 10 -4.757 1.159 3.363 1.00 55.21 H new ATOM 0 HA THR A 10 -5.497 2.537 0.873 1.00 64.33 H new ATOM 0 HB THR A 10 -7.053 2.242 3.470 1.00 4.31 H new ATOM 0 HG1 THR A 10 -8.361 0.750 2.186 1.00 45.22 H new ATOM 0 HG21 THR A 10 -8.931 3.077 2.100 1.00 1.53 H new ATOM 0 HG22 THR A 10 -7.587 4.242 2.141 1.00 1.53 H new ATOM 0 HG23 THR A 10 -7.840 3.226 0.702 1.00 1.53 H new ATOM 117 N LEU A 11 -4.692 4.680 1.793 1.00 73.35 N ATOM 118 CA LEU A 11 -4.225 5.953 2.274 1.00 51.34 C ATOM 119 C LEU A 11 -5.412 6.842 2.474 1.00 21.13 C ATOM 120 O LEU A 11 -6.201 7.033 1.556 1.00 75.42 O ATOM 121 CB LEU A 11 -3.288 6.593 1.271 1.00 75.11 C ATOM 122 CG LEU A 11 -2.122 5.747 0.823 1.00 11.24 C ATOM 123 CD1 LEU A 11 -1.287 6.499 -0.196 1.00 4.23 C ATOM 124 CD2 LEU A 11 -1.262 5.307 2.002 1.00 30.31 C ATOM 0 H LEU A 11 -4.763 4.616 0.777 1.00 73.35 H new ATOM 0 HA LEU A 11 -3.684 5.810 3.209 1.00 51.34 H new ATOM 0 HB2 LEU A 11 -3.867 6.874 0.391 1.00 75.11 H new ATOM 0 HB3 LEU A 11 -2.898 7.514 1.704 1.00 75.11 H new ATOM 0 HG LEU A 11 -2.522 4.847 0.356 1.00 11.24 H new ATOM 0 HD11 LEU A 11 -0.449 5.877 -0.510 1.00 4.23 H new ATOM 0 HD12 LEU A 11 -1.903 6.743 -1.062 1.00 4.23 H new ATOM 0 HD13 LEU A 11 -0.908 7.418 0.251 1.00 4.23 H new ATOM 0 HD21 LEU A 11 -0.432 4.700 1.640 1.00 30.31 H new ATOM 0 HD22 LEU A 11 -0.872 6.186 2.516 1.00 30.31 H new ATOM 0 HD23 LEU A 11 -1.866 4.721 2.694 1.00 30.31 H new ATOM 136 N GLN A 12 -5.539 7.353 3.642 1.00 20.10 N ATOM 137 CA GLN A 12 -6.665 8.195 3.992 1.00 74.10 C ATOM 138 C GLN A 12 -6.180 9.646 4.111 1.00 41.40 C ATOM 139 O GLN A 12 -5.274 9.949 4.904 1.00 12.23 O ATOM 140 CB GLN A 12 -7.264 7.699 5.322 1.00 62.12 C ATOM 141 CG GLN A 12 -8.750 8.016 5.563 1.00 64.31 C ATOM 142 CD GLN A 12 -9.086 9.487 5.633 1.00 62.34 C ATOM 143 OE1 GLN A 12 -9.411 10.106 4.639 1.00 72.53 O ATOM 144 NE2 GLN A 12 -9.008 10.047 6.802 1.00 13.30 N ATOM 0 H GLN A 12 -4.871 7.210 4.400 1.00 20.10 H new ATOM 0 HA GLN A 12 -7.438 8.148 3.225 1.00 74.10 H new ATOM 0 HB2 GLN A 12 -7.132 6.618 5.374 1.00 62.12 H new ATOM 0 HB3 GLN A 12 -6.686 8.130 6.139 1.00 62.12 H new ATOM 0 HG2 GLN A 12 -9.337 7.562 4.764 1.00 64.31 H new ATOM 0 HG3 GLN A 12 -9.060 7.543 6.495 1.00 64.31 H new ATOM 0 HE21 GLN A 12 -8.732 9.495 7.614 1.00 13.30 H new ATOM 0 HE22 GLN A 12 -9.223 11.038 6.908 1.00 13.30 H new ATOM 153 N LEU A 13 -6.747 10.500 3.302 1.00 60.04 N ATOM 154 CA LEU A 13 -6.452 11.910 3.280 1.00 24.44 C ATOM 155 C LEU A 13 -7.687 12.660 3.720 1.00 21.33 C ATOM 156 O LEU A 13 -8.762 12.498 3.108 1.00 72.11 O ATOM 157 CB LEU A 13 -6.131 12.352 1.853 1.00 71.44 C ATOM 158 CG LEU A 13 -5.966 13.858 1.660 1.00 74.45 C ATOM 159 CD1 LEU A 13 -4.651 14.367 2.221 1.00 52.41 C ATOM 160 CD2 LEU A 13 -6.174 14.260 0.214 1.00 43.42 C ATOM 0 H LEU A 13 -7.451 10.225 2.617 1.00 60.04 H new ATOM 0 HA LEU A 13 -5.604 12.111 3.935 1.00 24.44 H new ATOM 0 HB2 LEU A 13 -5.213 11.858 1.535 1.00 71.44 H new ATOM 0 HB3 LEU A 13 -6.926 12.002 1.194 1.00 71.44 H new ATOM 0 HG LEU A 13 -6.751 14.345 2.239 1.00 74.45 H new ATOM 0 HD11 LEU A 13 -4.579 15.443 2.060 1.00 52.41 H new ATOM 0 HD12 LEU A 13 -4.605 14.156 3.289 1.00 52.41 H new ATOM 0 HD13 LEU A 13 -3.823 13.869 1.717 1.00 52.41 H new ATOM 0 HD21 LEU A 13 -6.049 15.338 0.115 1.00 43.42 H new ATOM 0 HD22 LEU A 13 -5.443 13.750 -0.414 1.00 43.42 H new ATOM 0 HD23 LEU A 13 -7.180 13.981 -0.100 1.00 43.42 H new ATOM 172 N ASP A 14 -7.569 13.505 4.714 1.00 44.12 N ATOM 173 CA ASP A 14 -8.720 14.216 5.154 1.00 63.13 C ATOM 174 C ASP A 14 -8.902 15.400 4.263 1.00 14.31 C ATOM 175 O ASP A 14 -8.197 16.417 4.357 1.00 50.02 O ATOM 176 CB ASP A 14 -8.642 14.657 6.612 1.00 63.22 C ATOM 177 CG ASP A 14 -9.972 15.215 7.099 1.00 30.42 C ATOM 178 OD1 ASP A 14 -10.367 16.318 6.697 1.00 33.15 O ATOM 179 OD2 ASP A 14 -10.647 14.548 7.903 1.00 44.31 O ATOM 0 H ASP A 14 -6.705 13.707 5.217 1.00 44.12 H new ATOM 0 HA ASP A 14 -9.575 13.542 5.096 1.00 63.13 H new ATOM 0 HB2 ASP A 14 -8.352 13.810 7.234 1.00 63.22 H new ATOM 0 HB3 ASP A 14 -7.866 15.415 6.723 1.00 63.22 H new ATOM 184 N ASP A 15 -9.789 15.226 3.364 1.00 0.24 N ATOM 185 CA ASP A 15 -10.164 16.229 2.420 1.00 62.44 C ATOM 186 C ASP A 15 -11.576 16.720 2.785 1.00 55.24 C ATOM 187 O ASP A 15 -12.435 16.967 1.940 1.00 25.13 O ATOM 188 CB ASP A 15 -10.102 15.596 1.020 1.00 15.12 C ATOM 189 CG ASP A 15 -10.531 16.501 -0.115 1.00 4.53 C ATOM 190 OD1 ASP A 15 -9.891 17.534 -0.340 1.00 53.14 O ATOM 191 OD2 ASP A 15 -11.484 16.135 -0.849 1.00 45.35 O ATOM 0 H ASP A 15 -10.300 14.351 3.252 1.00 0.24 H new ATOM 0 HA ASP A 15 -9.498 17.091 2.433 1.00 62.44 H new ATOM 0 HB2 ASP A 15 -9.080 15.265 0.833 1.00 15.12 H new ATOM 0 HB3 ASP A 15 -10.732 14.707 1.012 1.00 15.12 H new ATOM 196 N GLY A 16 -11.813 16.829 4.062 1.00 63.02 N ATOM 197 CA GLY A 16 -13.097 17.254 4.532 1.00 34.41 C ATOM 198 C GLY A 16 -13.873 16.086 5.058 1.00 35.54 C ATOM 199 O GLY A 16 -14.314 16.093 6.209 1.00 52.42 O ATOM 0 H GLY A 16 -11.132 16.629 4.795 1.00 63.02 H new ATOM 0 HA2 GLY A 16 -12.975 18.001 5.316 1.00 34.41 H new ATOM 0 HA3 GLY A 16 -13.649 17.730 3.721 1.00 34.41 H new ATOM 203 N SER A 17 -14.025 15.074 4.238 1.00 32.33 N ATOM 204 CA SER A 17 -14.714 13.887 4.644 1.00 10.05 C ATOM 205 C SER A 17 -13.690 12.760 4.722 1.00 0.34 C ATOM 206 O SER A 17 -13.494 12.153 5.785 1.00 74.22 O ATOM 207 CB SER A 17 -15.858 13.563 3.655 1.00 11.14 C ATOM 208 OG SER A 17 -16.696 12.510 4.129 1.00 2.33 O ATOM 0 H SER A 17 -13.676 15.056 3.280 1.00 32.33 H new ATOM 0 HA SER A 17 -15.177 14.021 5.622 1.00 10.05 H new ATOM 0 HB2 SER A 17 -16.459 14.458 3.491 1.00 11.14 H new ATOM 0 HB3 SER A 17 -15.434 13.282 2.691 1.00 11.14 H new ATOM 0 HG SER A 17 -17.406 12.338 3.476 1.00 2.33 H new ATOM 214 N GLY A 18 -13.002 12.519 3.623 1.00 74.13 N ATOM 215 CA GLY A 18 -11.983 11.518 3.610 1.00 42.42 C ATOM 216 C GLY A 18 -11.802 10.890 2.253 1.00 35.34 C ATOM 217 O GLY A 18 -12.683 10.171 1.769 1.00 73.13 O ATOM 0 H GLY A 18 -13.138 13.006 2.737 1.00 74.13 H new ATOM 0 HA2 GLY A 18 -11.040 11.961 3.929 1.00 42.42 H new ATOM 0 HA3 GLY A 18 -12.232 10.743 4.334 1.00 42.42 H new ATOM 221 N ARG A 19 -10.689 11.186 1.622 1.00 41.33 N ATOM 222 CA ARG A 19 -10.347 10.563 0.364 1.00 13.30 C ATOM 223 C ARG A 19 -9.450 9.411 0.637 1.00 73.41 C ATOM 224 O ARG A 19 -8.575 9.501 1.490 1.00 22.10 O ATOM 225 CB ARG A 19 -9.626 11.480 -0.600 1.00 54.30 C ATOM 226 CG ARG A 19 -10.440 12.616 -1.156 1.00 12.40 C ATOM 227 CD ARG A 19 -9.657 13.354 -2.226 1.00 43.14 C ATOM 228 NE ARG A 19 -10.348 14.559 -2.700 1.00 11.03 N ATOM 229 CZ ARG A 19 -10.258 15.086 -3.930 1.00 42.33 C ATOM 230 NH1 ARG A 19 -9.683 14.404 -4.927 1.00 25.50 N ATOM 231 NH2 ARG A 19 -10.790 16.278 -4.172 1.00 43.52 N ATOM 0 H ARG A 19 -10.001 11.858 1.962 1.00 41.33 H new ATOM 0 HA ARG A 19 -11.288 10.271 -0.102 1.00 13.30 H new ATOM 0 HB2 ARG A 19 -8.755 11.896 -0.094 1.00 54.30 H new ATOM 0 HB3 ARG A 19 -9.255 10.882 -1.433 1.00 54.30 H new ATOM 0 HG2 ARG A 19 -11.370 12.234 -1.576 1.00 12.40 H new ATOM 0 HG3 ARG A 19 -10.711 13.304 -0.355 1.00 12.40 H new ATOM 0 HD2 ARG A 19 -8.680 13.632 -1.830 1.00 43.14 H new ATOM 0 HD3 ARG A 19 -9.481 12.685 -3.069 1.00 43.14 H new ATOM 0 HE ARG A 19 -10.952 15.040 -2.033 1.00 11.03 H new ATOM 0 HH11 ARG A 19 -9.307 13.472 -4.756 1.00 25.50 H new ATOM 0 HH12 ARG A 19 -9.621 14.817 -5.858 1.00 25.50 H new ATOM 0 HH21 ARG A 19 -11.263 16.786 -3.425 1.00 43.52 H new ATOM 0 HH22 ARG A 19 -10.726 16.685 -5.105 1.00 43.52 H new ATOM 245 N THR A 20 -9.629 8.357 -0.078 1.00 54.14 N ATOM 246 CA THR A 20 -8.850 7.194 0.145 1.00 3.21 C ATOM 247 C THR A 20 -8.226 6.688 -1.141 1.00 73.12 C ATOM 248 O THR A 20 -8.874 6.658 -2.196 1.00 21.42 O ATOM 249 CB THR A 20 -9.685 6.095 0.841 1.00 0.51 C ATOM 250 OG1 THR A 20 -10.899 5.842 0.110 1.00 2.23 O ATOM 251 CG2 THR A 20 -10.035 6.511 2.256 1.00 10.31 C ATOM 0 H THR A 20 -10.315 8.278 -0.829 1.00 54.14 H new ATOM 0 HA THR A 20 -8.033 7.464 0.814 1.00 3.21 H new ATOM 0 HB THR A 20 -9.085 5.185 0.869 1.00 0.51 H new ATOM 0 HG1 THR A 20 -11.414 5.143 0.564 1.00 2.23 H new ATOM 0 HG21 THR A 20 -10.623 5.726 2.731 1.00 10.31 H new ATOM 0 HG22 THR A 20 -9.119 6.673 2.825 1.00 10.31 H new ATOM 0 HG23 THR A 20 -10.615 7.434 2.231 1.00 10.31 H new ATOM 259 N TYR A 21 -6.970 6.348 -1.072 1.00 73.32 N ATOM 260 CA TYR A 21 -6.272 5.804 -2.194 1.00 63.04 C ATOM 261 C TYR A 21 -5.753 4.449 -1.822 1.00 4.22 C ATOM 262 O TYR A 21 -4.894 4.331 -0.948 1.00 13.31 O ATOM 263 CB TYR A 21 -5.120 6.720 -2.637 1.00 40.43 C ATOM 264 CG TYR A 21 -4.307 6.165 -3.800 1.00 43.22 C ATOM 265 CD1 TYR A 21 -4.867 6.040 -5.060 1.00 72.40 C ATOM 266 CD2 TYR A 21 -2.983 5.771 -3.631 1.00 53.34 C ATOM 267 CE1 TYR A 21 -4.136 5.540 -6.115 1.00 25.30 C ATOM 268 CE2 TYR A 21 -2.245 5.269 -4.687 1.00 43.44 C ATOM 269 CZ TYR A 21 -2.827 5.155 -5.925 1.00 25.12 C ATOM 270 OH TYR A 21 -2.093 4.661 -6.991 1.00 53.35 O ATOM 0 H TYR A 21 -6.402 6.442 -0.230 1.00 73.32 H new ATOM 0 HA TYR A 21 -6.959 5.723 -3.037 1.00 63.04 H new ATOM 0 HB2 TYR A 21 -5.528 7.690 -2.921 1.00 40.43 H new ATOM 0 HB3 TYR A 21 -4.456 6.889 -1.789 1.00 40.43 H new ATOM 0 HD1 TYR A 21 -5.893 6.339 -5.218 1.00 72.40 H new ATOM 0 HD2 TYR A 21 -2.524 5.859 -2.657 1.00 53.34 H new ATOM 0 HE1 TYR A 21 -4.589 5.450 -7.091 1.00 25.30 H new ATOM 0 HE2 TYR A 21 -1.218 4.969 -4.539 1.00 43.44 H new ATOM 0 HH TYR A 21 -1.385 4.072 -6.656 1.00 53.35 H new ATOM 280 N GLN A 22 -6.309 3.434 -2.413 1.00 73.54 N ATOM 281 CA GLN A 22 -5.834 2.110 -2.176 1.00 64.12 C ATOM 282 C GLN A 22 -4.582 1.888 -2.990 1.00 5.13 C ATOM 283 O GLN A 22 -4.546 2.183 -4.189 1.00 53.45 O ATOM 284 CB GLN A 22 -6.879 1.055 -2.541 1.00 64.44 C ATOM 285 CG GLN A 22 -6.396 -0.371 -2.283 1.00 2.14 C ATOM 286 CD GLN A 22 -7.343 -1.430 -2.784 1.00 0.41 C ATOM 287 OE1 GLN A 22 -8.564 -1.241 -2.822 1.00 24.51 O ATOM 288 NE2 GLN A 22 -6.800 -2.545 -3.177 1.00 10.22 N ATOM 0 H GLN A 22 -7.092 3.501 -3.063 1.00 73.54 H new ATOM 0 HA GLN A 22 -5.623 2.007 -1.112 1.00 64.12 H new ATOM 0 HB2 GLN A 22 -7.787 1.236 -1.966 1.00 64.44 H new ATOM 0 HB3 GLN A 22 -7.142 1.160 -3.594 1.00 64.44 H new ATOM 0 HG2 GLN A 22 -5.426 -0.509 -2.760 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -6.247 -0.507 -1.212 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -5.788 -2.664 -3.130 1.00 10.22 H new ATOM 0 HE22 GLN A 22 -7.386 -3.301 -3.532 1.00 10.22 H new ATOM 297 N LEU A 23 -3.565 1.421 -2.341 1.00 70.34 N ATOM 298 CA LEU A 23 -2.346 1.085 -2.993 1.00 10.01 C ATOM 299 C LEU A 23 -2.512 -0.245 -3.668 1.00 31.40 C ATOM 300 O LEU A 23 -2.956 -1.219 -3.048 1.00 62.35 O ATOM 301 CB LEU A 23 -1.192 0.995 -1.993 1.00 40.14 C ATOM 302 CG LEU A 23 -0.784 2.283 -1.283 1.00 54.04 C ATOM 303 CD1 LEU A 23 0.270 1.977 -0.250 1.00 61.05 C ATOM 304 CD2 LEU A 23 -0.237 3.290 -2.278 1.00 52.25 C ATOM 0 H LEU A 23 -3.559 1.261 -1.334 1.00 70.34 H new ATOM 0 HA LEU A 23 -2.112 1.863 -3.720 1.00 10.01 H new ATOM 0 HB2 LEU A 23 -1.459 0.260 -1.233 1.00 40.14 H new ATOM 0 HB3 LEU A 23 -0.319 0.607 -2.518 1.00 40.14 H new ATOM 0 HG LEU A 23 -1.663 2.709 -0.800 1.00 54.04 H new ATOM 0 HD11 LEU A 23 0.561 2.897 0.257 1.00 61.05 H new ATOM 0 HD12 LEU A 23 -0.129 1.272 0.479 1.00 61.05 H new ATOM 0 HD13 LEU A 23 1.141 1.540 -0.738 1.00 61.05 H new ATOM 0 HD21 LEU A 23 0.049 4.202 -1.753 1.00 52.25 H new ATOM 0 HD22 LEU A 23 0.636 2.870 -2.778 1.00 52.25 H new ATOM 0 HD23 LEU A 23 -1.002 3.522 -3.019 1.00 52.25 H new ATOM 316 N ARG A 24 -2.237 -0.276 -4.931 1.00 10.14 N ATOM 317 CA ARG A 24 -2.228 -1.508 -5.650 1.00 11.33 C ATOM 318 C ARG A 24 -0.818 -1.970 -5.824 1.00 0.34 C ATOM 319 O ARG A 24 0.123 -1.205 -5.542 1.00 41.32 O ATOM 320 CB ARG A 24 -2.926 -1.418 -6.992 1.00 15.22 C ATOM 321 CG ARG A 24 -4.431 -1.317 -6.902 1.00 21.40 C ATOM 322 CD ARG A 24 -5.058 -1.593 -8.252 1.00 13.13 C ATOM 323 NE ARG A 24 -4.676 -2.931 -8.758 1.00 71.32 N ATOM 324 CZ ARG A 24 -5.361 -3.649 -9.645 1.00 33.43 C ATOM 325 NH1 ARG A 24 -6.547 -3.224 -10.091 1.00 32.45 N ATOM 326 NH2 ARG A 24 -4.860 -4.808 -10.069 1.00 63.24 N ATOM 0 H ARG A 24 -2.013 0.547 -5.491 1.00 10.14 H new ATOM 0 HA ARG A 24 -2.791 -2.233 -5.062 1.00 11.33 H new ATOM 0 HB2 ARG A 24 -2.546 -0.549 -7.529 1.00 15.22 H new ATOM 0 HB3 ARG A 24 -2.667 -2.296 -7.583 1.00 15.22 H new ATOM 0 HG2 ARG A 24 -4.807 -2.029 -6.167 1.00 21.40 H new ATOM 0 HG3 ARG A 24 -4.716 -0.323 -6.558 1.00 21.40 H new ATOM 0 HD2 ARG A 24 -6.143 -1.528 -8.172 1.00 13.13 H new ATOM 0 HD3 ARG A 24 -4.745 -0.829 -8.964 1.00 13.13 H new ATOM 0 HE ARG A 24 -3.814 -3.338 -8.396 1.00 71.32 H new ATOM 0 HH11 ARG A 24 -6.934 -2.343 -9.752 1.00 32.45 H new ATOM 0 HH12 ARG A 24 -7.065 -3.780 -10.771 1.00 32.45 H new ATOM 0 HH21 ARG A 24 -3.962 -5.136 -9.714 1.00 63.24 H new ATOM 0 HH22 ARG A 24 -5.375 -5.368 -10.749 1.00 63.24 H new ATOM 340 N GLU A 25 -0.668 -3.187 -6.298 1.00 43.33 N ATOM 341 CA GLU A 25 0.617 -3.816 -6.443 1.00 33.54 C ATOM 342 C GLU A 25 1.526 -3.028 -7.387 1.00 1.11 C ATOM 343 O GLU A 25 1.091 -2.555 -8.447 1.00 54.12 O ATOM 344 CB GLU A 25 0.495 -5.312 -6.854 1.00 24.10 C ATOM 345 CG GLU A 25 -0.311 -5.626 -8.137 1.00 4.53 C ATOM 346 CD GLU A 25 -1.825 -5.473 -7.998 1.00 62.42 C ATOM 347 OE1 GLU A 25 -2.345 -4.354 -8.194 1.00 1.10 O ATOM 348 OE2 GLU A 25 -2.518 -6.478 -7.724 1.00 30.53 O ATOM 0 H GLU A 25 -1.449 -3.772 -6.596 1.00 43.33 H new ATOM 0 HA GLU A 25 1.092 -3.805 -5.462 1.00 33.54 H new ATOM 0 HB2 GLU A 25 1.501 -5.711 -6.980 1.00 24.10 H new ATOM 0 HB3 GLU A 25 0.038 -5.854 -6.026 1.00 24.10 H new ATOM 0 HG2 GLU A 25 0.034 -4.969 -8.936 1.00 4.53 H new ATOM 0 HG3 GLU A 25 -0.090 -6.648 -8.447 1.00 4.53 H new ATOM 355 N GLY A 26 2.748 -2.855 -6.980 1.00 72.24 N ATOM 356 CA GLY A 26 3.696 -2.082 -7.721 1.00 64.23 C ATOM 357 C GLY A 26 4.105 -0.889 -6.905 1.00 21.31 C ATOM 358 O GLY A 26 3.707 -0.769 -5.737 1.00 5.22 O ATOM 0 H GLY A 26 3.117 -3.251 -6.116 1.00 72.24 H new ATOM 0 HA2 GLY A 26 4.569 -2.689 -7.963 1.00 64.23 H new ATOM 0 HA3 GLY A 26 3.260 -1.759 -8.667 1.00 64.23 H new ATOM 362 N SER A 27 4.893 -0.029 -7.450 1.00 32.25 N ATOM 363 CA SER A 27 5.267 1.129 -6.727 1.00 72.41 C ATOM 364 C SER A 27 4.378 2.294 -7.098 1.00 34.25 C ATOM 365 O SER A 27 4.037 2.501 -8.267 1.00 23.34 O ATOM 366 CB SER A 27 6.740 1.443 -6.909 1.00 73.14 C ATOM 367 OG SER A 27 7.065 1.570 -8.295 1.00 53.31 O ATOM 0 H SER A 27 5.287 -0.107 -8.388 1.00 32.25 H new ATOM 0 HA SER A 27 5.123 0.935 -5.664 1.00 72.41 H new ATOM 0 HB2 SER A 27 6.986 2.368 -6.387 1.00 73.14 H new ATOM 0 HB3 SER A 27 7.343 0.653 -6.460 1.00 73.14 H new ATOM 0 HG SER A 27 8.019 1.774 -8.390 1.00 53.31 H new ATOM 373 N ASN A 28 3.985 3.023 -6.114 1.00 14.23 N ATOM 374 CA ASN A 28 3.110 4.130 -6.293 1.00 23.52 C ATOM 375 C ASN A 28 3.854 5.385 -5.943 1.00 62.31 C ATOM 376 O ASN A 28 4.254 5.579 -4.793 1.00 4.01 O ATOM 377 CB ASN A 28 1.835 3.970 -5.438 1.00 21.25 C ATOM 378 CG ASN A 28 0.957 2.793 -5.883 1.00 2.04 C ATOM 379 OD1 ASN A 28 0.053 2.953 -6.712 1.00 22.22 O ATOM 380 ND2 ASN A 28 1.214 1.614 -5.344 1.00 2.13 N ATOM 0 H ASN A 28 4.266 2.866 -5.146 1.00 14.23 H new ATOM 0 HA ASN A 28 2.786 4.182 -7.332 1.00 23.52 H new ATOM 0 HB2 ASN A 28 2.119 3.830 -4.395 1.00 21.25 H new ATOM 0 HB3 ASN A 28 1.253 4.890 -5.489 1.00 21.25 H new ATOM 0 HD21 ASN A 28 0.659 0.800 -5.609 1.00 2.13 H new ATOM 0 HD22 ASN A 28 1.967 1.518 -4.663 1.00 2.13 H new ATOM 387 N ILE A 29 4.109 6.188 -6.948 1.00 3.22 N ATOM 388 CA ILE A 29 4.818 7.440 -6.778 1.00 13.52 C ATOM 389 C ILE A 29 3.807 8.506 -6.394 1.00 31.00 C ATOM 390 O ILE A 29 2.808 8.698 -7.102 1.00 11.45 O ATOM 391 CB ILE A 29 5.524 7.873 -8.097 1.00 50.04 C ATOM 392 CG1 ILE A 29 6.476 6.780 -8.622 1.00 11.04 C ATOM 393 CG2 ILE A 29 6.275 9.194 -7.918 1.00 22.30 C ATOM 394 CD1 ILE A 29 7.609 6.428 -7.687 1.00 33.11 C ATOM 0 H ILE A 29 3.831 5.994 -7.910 1.00 3.22 H new ATOM 0 HA ILE A 29 5.578 7.314 -6.007 1.00 13.52 H new ATOM 0 HB ILE A 29 4.742 8.021 -8.841 1.00 50.04 H new ATOM 0 HG12 ILE A 29 5.897 5.879 -8.824 1.00 11.04 H new ATOM 0 HG13 ILE A 29 6.896 7.109 -9.572 1.00 11.04 H new ATOM 0 HG21 ILE A 29 6.757 9.469 -8.856 1.00 22.30 H new ATOM 0 HG22 ILE A 29 5.573 9.976 -7.628 1.00 22.30 H new ATOM 0 HG23 ILE A 29 7.031 9.080 -7.142 1.00 22.30 H new ATOM 0 HD11 ILE A 29 8.226 5.652 -8.139 1.00 33.11 H new ATOM 0 HD12 ILE A 29 8.217 7.314 -7.503 1.00 33.11 H new ATOM 0 HD13 ILE A 29 7.202 6.065 -6.743 1.00 33.11 H new ATOM 406 N ILE A 30 4.042 9.158 -5.298 1.00 2.03 N ATOM 407 CA ILE A 30 3.156 10.167 -4.798 1.00 45.45 C ATOM 408 C ILE A 30 3.798 11.546 -4.959 1.00 62.20 C ATOM 409 O ILE A 30 4.980 11.746 -4.600 1.00 64.33 O ATOM 410 CB ILE A 30 2.802 9.904 -3.303 1.00 11.32 C ATOM 411 CG1 ILE A 30 2.204 8.489 -3.141 1.00 42.21 C ATOM 412 CG2 ILE A 30 1.842 10.964 -2.778 1.00 21.03 C ATOM 413 CD1 ILE A 30 1.859 8.113 -1.715 1.00 55.34 C ATOM 0 H ILE A 30 4.865 9.003 -4.716 1.00 2.03 H new ATOM 0 HA ILE A 30 2.231 10.134 -5.374 1.00 45.45 H new ATOM 0 HB ILE A 30 3.717 9.964 -2.713 1.00 11.32 H new ATOM 0 HG12 ILE A 30 1.303 8.417 -3.751 1.00 42.21 H new ATOM 0 HG13 ILE A 30 2.914 7.761 -3.534 1.00 42.21 H new ATOM 0 HG21 ILE A 30 1.610 10.759 -1.733 1.00 21.03 H new ATOM 0 HG22 ILE A 30 2.305 11.947 -2.861 1.00 21.03 H new ATOM 0 HG23 ILE A 30 0.923 10.945 -3.364 1.00 21.03 H new ATOM 0 HD11 ILE A 30 1.446 7.105 -1.694 1.00 55.34 H new ATOM 0 HD12 ILE A 30 2.759 8.149 -1.101 1.00 55.34 H new ATOM 0 HD13 ILE A 30 1.124 8.815 -1.321 1.00 55.34 H new ATOM 425 N GLY A 31 3.039 12.454 -5.537 1.00 22.11 N ATOM 426 CA GLY A 31 3.469 13.813 -5.752 1.00 71.51 C ATOM 427 C GLY A 31 2.794 14.355 -6.977 1.00 50.14 C ATOM 428 O GLY A 31 1.790 13.795 -7.398 1.00 13.42 O ATOM 0 H GLY A 31 2.095 12.263 -5.873 1.00 22.11 H new ATOM 0 HA2 GLY A 31 3.223 14.426 -4.885 1.00 71.51 H new ATOM 0 HA3 GLY A 31 4.552 13.850 -5.872 1.00 71.51 H new ATOM 432 N ARG A 32 3.276 15.441 -7.547 1.00 43.34 N ATOM 433 CA ARG A 32 2.702 15.902 -8.792 1.00 24.23 C ATOM 434 C ARG A 32 3.735 16.090 -9.861 1.00 11.23 C ATOM 435 O ARG A 32 4.531 17.029 -9.839 1.00 3.34 O ATOM 436 CB ARG A 32 1.846 17.161 -8.654 1.00 11.52 C ATOM 437 CG ARG A 32 0.614 16.960 -7.814 1.00 34.51 C ATOM 438 CD ARG A 32 -0.451 17.992 -8.124 1.00 63.23 C ATOM 439 NE ARG A 32 -0.050 19.369 -7.825 1.00 0.33 N ATOM 440 CZ ARG A 32 -0.852 20.433 -7.983 1.00 20.34 C ATOM 441 NH1 ARG A 32 -2.088 20.278 -8.481 1.00 5.45 N ATOM 442 NH2 ARG A 32 -0.415 21.644 -7.658 1.00 14.34 N ATOM 0 H ARG A 32 4.042 16.006 -7.180 1.00 43.34 H new ATOM 0 HA ARG A 32 2.031 15.098 -9.095 1.00 24.23 H new ATOM 0 HB2 ARG A 32 2.450 17.955 -8.215 1.00 11.52 H new ATOM 0 HB3 ARG A 32 1.548 17.499 -9.647 1.00 11.52 H new ATOM 0 HG2 ARG A 32 0.214 15.961 -7.988 1.00 34.51 H new ATOM 0 HG3 ARG A 32 0.880 17.017 -6.759 1.00 34.51 H new ATOM 0 HD2 ARG A 32 -0.714 17.922 -9.179 1.00 63.23 H new ATOM 0 HD3 ARG A 32 -1.350 17.754 -7.555 1.00 63.23 H new ATOM 0 HE ARG A 32 0.895 19.528 -7.476 1.00 0.33 H new ATOM 0 HH11 ARG A 32 -2.420 19.349 -8.741 1.00 5.45 H new ATOM 0 HH12 ARG A 32 -2.695 21.089 -8.600 1.00 5.45 H new ATOM 0 HH21 ARG A 32 0.528 21.764 -7.289 1.00 14.34 H new ATOM 0 HH22 ARG A 32 -1.023 22.454 -7.777 1.00 14.34 H new ATOM 456 N GLY A 33 3.717 15.173 -10.769 1.00 40.14 N ATOM 457 CA GLY A 33 4.497 15.188 -11.940 1.00 23.33 C ATOM 458 C GLY A 33 4.034 14.056 -12.790 1.00 15.35 C ATOM 459 O GLY A 33 3.140 13.308 -12.366 1.00 64.11 O ATOM 0 H GLY A 33 3.119 14.349 -10.700 1.00 40.14 H new ATOM 0 HA2 GLY A 33 4.384 16.136 -12.466 1.00 23.33 H new ATOM 0 HA3 GLY A 33 5.555 15.081 -11.699 1.00 23.33 H new ATOM 463 N GLN A 34 4.649 13.862 -13.928 1.00 13.13 N ATOM 464 CA GLN A 34 4.258 12.804 -14.855 1.00 14.22 C ATOM 465 C GLN A 34 4.723 11.447 -14.337 1.00 14.23 C ATOM 466 O GLN A 34 4.355 10.394 -14.847 1.00 14.31 O ATOM 467 CB GLN A 34 4.813 13.048 -16.287 1.00 22.44 C ATOM 468 CG GLN A 34 6.351 13.001 -16.464 1.00 72.33 C ATOM 469 CD GLN A 34 7.120 14.252 -16.009 1.00 22.44 C ATOM 470 OE1 GLN A 34 6.728 14.971 -15.098 1.00 2.43 O ATOM 471 NE2 GLN A 34 8.211 14.518 -16.661 1.00 53.31 N ATOM 0 H GLN A 34 5.436 14.427 -14.248 1.00 13.13 H new ATOM 0 HA GLN A 34 3.170 12.814 -14.918 1.00 14.22 H new ATOM 0 HB2 GLN A 34 4.373 12.305 -16.952 1.00 22.44 H new ATOM 0 HB3 GLN A 34 4.463 14.024 -16.624 1.00 22.44 H new ATOM 0 HG2 GLN A 34 6.734 12.143 -15.912 1.00 72.33 H new ATOM 0 HG3 GLN A 34 6.571 12.827 -17.517 1.00 72.33 H new ATOM 0 HE21 GLN A 34 8.517 13.904 -17.416 1.00 53.31 H new ATOM 0 HE22 GLN A 34 8.762 15.341 -16.418 1.00 53.31 H new ATOM 480 N ASP A 35 5.548 11.497 -13.343 1.00 72.34 N ATOM 481 CA ASP A 35 6.134 10.332 -12.718 1.00 34.41 C ATOM 482 C ASP A 35 5.177 9.787 -11.678 1.00 43.11 C ATOM 483 O ASP A 35 5.210 8.610 -11.336 1.00 4.24 O ATOM 484 CB ASP A 35 7.404 10.760 -11.977 1.00 53.40 C ATOM 485 CG ASP A 35 8.189 11.813 -12.710 1.00 71.40 C ATOM 486 OD1 ASP A 35 7.805 12.989 -12.636 1.00 15.03 O ATOM 487 OD2 ASP A 35 9.205 11.495 -13.353 1.00 23.52 O ATOM 0 H ASP A 35 5.850 12.375 -12.921 1.00 72.34 H new ATOM 0 HA ASP A 35 6.348 9.583 -13.480 1.00 34.41 H new ATOM 0 HB2 ASP A 35 7.132 11.138 -10.992 1.00 53.40 H new ATOM 0 HB3 ASP A 35 8.037 9.887 -11.820 1.00 53.40 H new ATOM 492 N ALA A 36 4.309 10.647 -11.208 1.00 11.34 N ATOM 493 CA ALA A 36 3.458 10.347 -10.094 1.00 21.22 C ATOM 494 C ALA A 36 2.245 9.515 -10.479 1.00 51.42 C ATOM 495 O ALA A 36 1.510 9.830 -11.428 1.00 10.44 O ATOM 496 CB ALA A 36 3.055 11.622 -9.395 1.00 15.23 C ATOM 0 H ALA A 36 4.175 11.582 -11.594 1.00 11.34 H new ATOM 0 HA ALA A 36 4.032 9.729 -9.403 1.00 21.22 H new ATOM 0 HB1 ALA A 36 2.409 11.385 -8.550 1.00 15.23 H new ATOM 0 HB2 ALA A 36 3.946 12.138 -9.037 1.00 15.23 H new ATOM 0 HB3 ALA A 36 2.519 12.266 -10.093 1.00 15.23 H new ATOM 502 N GLN A 37 2.034 8.467 -9.722 1.00 4.41 N ATOM 503 CA GLN A 37 0.929 7.559 -9.906 1.00 11.45 C ATOM 504 C GLN A 37 -0.264 8.073 -9.121 1.00 20.14 C ATOM 505 O GLN A 37 -1.411 7.808 -9.456 1.00 12.31 O ATOM 506 CB GLN A 37 1.318 6.166 -9.414 1.00 24.52 C ATOM 507 CG GLN A 37 2.509 5.550 -10.145 1.00 14.00 C ATOM 508 CD GLN A 37 2.261 5.369 -11.629 1.00 21.34 C ATOM 509 OE1 GLN A 37 2.552 6.251 -12.439 1.00 62.15 O ATOM 510 NE2 GLN A 37 1.716 4.244 -11.994 1.00 62.34 N ATOM 0 H GLN A 37 2.641 8.216 -8.942 1.00 4.41 H new ATOM 0 HA GLN A 37 0.672 7.497 -10.963 1.00 11.45 H new ATOM 0 HB2 GLN A 37 1.549 6.221 -8.350 1.00 24.52 H new ATOM 0 HB3 GLN A 37 0.459 5.503 -9.520 1.00 24.52 H new ATOM 0 HG2 GLN A 37 3.384 6.184 -10.003 1.00 14.00 H new ATOM 0 HG3 GLN A 37 2.741 4.582 -9.700 1.00 14.00 H new ATOM 0 HE21 GLN A 37 1.489 3.537 -11.295 1.00 62.34 H new ATOM 0 HE22 GLN A 37 1.516 4.070 -12.979 1.00 62.34 H new ATOM 519 N PHE A 38 0.032 8.819 -8.089 1.00 53.45 N ATOM 520 CA PHE A 38 -0.957 9.438 -7.254 1.00 21.12 C ATOM 521 C PHE A 38 -0.577 10.892 -7.069 1.00 63.20 C ATOM 522 O PHE A 38 0.481 11.204 -6.513 1.00 64.32 O ATOM 523 CB PHE A 38 -1.048 8.693 -5.913 1.00 4.43 C ATOM 524 CG PHE A 38 -1.950 9.325 -4.883 1.00 63.33 C ATOM 525 CD1 PHE A 38 -3.291 9.562 -5.141 1.00 41.10 C ATOM 526 CD2 PHE A 38 -1.447 9.660 -3.645 1.00 11.20 C ATOM 527 CE1 PHE A 38 -4.104 10.123 -4.177 1.00 61.33 C ATOM 528 CE2 PHE A 38 -2.242 10.220 -2.682 1.00 72.23 C ATOM 529 CZ PHE A 38 -3.578 10.455 -2.943 1.00 53.20 C ATOM 0 H PHE A 38 0.991 9.016 -7.801 1.00 53.45 H new ATOM 0 HA PHE A 38 -1.943 9.389 -7.716 1.00 21.12 H new ATOM 0 HB2 PHE A 38 -1.397 7.678 -6.103 1.00 4.43 H new ATOM 0 HB3 PHE A 38 -0.046 8.612 -5.493 1.00 4.43 H new ATOM 0 HD1 PHE A 38 -3.704 9.305 -6.105 1.00 41.10 H new ATOM 0 HD2 PHE A 38 -0.405 9.477 -3.430 1.00 11.20 H new ATOM 0 HE1 PHE A 38 -5.148 10.302 -4.386 1.00 61.33 H new ATOM 0 HE2 PHE A 38 -1.825 10.478 -1.719 1.00 72.23 H new ATOM 0 HZ PHE A 38 -4.209 10.896 -2.186 1.00 53.20 H new ATOM 539 N ARG A 39 -1.409 11.769 -7.566 1.00 41.13 N ATOM 540 CA ARG A 39 -1.130 13.185 -7.523 1.00 14.30 C ATOM 541 C ARG A 39 -1.800 13.836 -6.330 1.00 21.14 C ATOM 542 O ARG A 39 -3.026 13.909 -6.264 1.00 13.20 O ATOM 543 CB ARG A 39 -1.553 13.912 -8.829 1.00 33.41 C ATOM 544 CG ARG A 39 -0.679 13.665 -10.076 1.00 15.41 C ATOM 545 CD ARG A 39 -0.754 12.238 -10.603 1.00 42.53 C ATOM 546 NE ARG A 39 -2.116 11.853 -11.005 1.00 60.01 N ATOM 547 CZ ARG A 39 -2.461 10.642 -11.485 1.00 44.24 C ATOM 548 NH1 ARG A 39 -1.525 9.729 -11.748 1.00 31.52 N ATOM 549 NH2 ARG A 39 -3.733 10.368 -11.735 1.00 44.04 N ATOM 0 H ARG A 39 -2.295 11.527 -8.010 1.00 41.13 H new ATOM 0 HA ARG A 39 -0.049 13.284 -7.424 1.00 14.30 H new ATOM 0 HB2 ARG A 39 -2.575 13.617 -9.066 1.00 33.41 H new ATOM 0 HB3 ARG A 39 -1.568 14.984 -8.632 1.00 33.41 H new ATOM 0 HG2 ARG A 39 -0.986 14.351 -10.865 1.00 15.41 H new ATOM 0 HG3 ARG A 39 0.358 13.900 -9.835 1.00 15.41 H new ATOM 0 HD2 ARG A 39 -0.084 12.135 -11.457 1.00 42.53 H new ATOM 0 HD3 ARG A 39 -0.399 11.552 -9.834 1.00 42.53 H new ATOM 0 HE ARG A 39 -2.852 12.553 -10.914 1.00 60.01 H new ATOM 0 HH11 ARG A 39 -0.542 9.946 -11.586 1.00 31.52 H new ATOM 0 HH12 ARG A 39 -1.793 8.814 -12.111 1.00 31.52 H new ATOM 0 HH21 ARG A 39 -4.450 11.073 -11.564 1.00 44.04 H new ATOM 0 HH22 ARG A 39 -3.995 9.452 -12.098 1.00 44.04 H new ATOM 563 N LEU A 40 -1.009 14.289 -5.382 1.00 11.42 N ATOM 564 CA LEU A 40 -1.546 14.996 -4.232 1.00 22.53 C ATOM 565 C LEU A 40 -2.032 16.374 -4.642 1.00 24.42 C ATOM 566 O LEU A 40 -1.291 17.113 -5.264 1.00 62.05 O ATOM 567 CB LEU A 40 -0.521 15.123 -3.107 1.00 0.34 C ATOM 568 CG LEU A 40 -0.261 13.873 -2.278 1.00 22.44 C ATOM 569 CD1 LEU A 40 0.829 14.151 -1.274 1.00 0.43 C ATOM 570 CD2 LEU A 40 -1.527 13.445 -1.546 1.00 51.31 C ATOM 0 H LEU A 40 0.005 14.183 -5.381 1.00 11.42 H new ATOM 0 HA LEU A 40 -2.384 14.410 -3.854 1.00 22.53 H new ATOM 0 HB2 LEU A 40 0.425 15.446 -3.542 1.00 0.34 H new ATOM 0 HB3 LEU A 40 -0.849 15.916 -2.435 1.00 0.34 H new ATOM 0 HG LEU A 40 0.048 13.069 -2.946 1.00 22.44 H new ATOM 0 HD11 LEU A 40 1.014 13.255 -0.681 1.00 0.43 H new ATOM 0 HD12 LEU A 40 1.742 14.435 -1.797 1.00 0.43 H new ATOM 0 HD13 LEU A 40 0.520 14.964 -0.617 1.00 0.43 H new ATOM 0 HD21 LEU A 40 -1.323 12.550 -0.958 1.00 51.31 H new ATOM 0 HD22 LEU A 40 -1.853 14.247 -0.884 1.00 51.31 H new ATOM 0 HD23 LEU A 40 -2.312 13.231 -2.271 1.00 51.31 H new ATOM 582 N PRO A 41 -3.274 16.749 -4.291 1.00 31.31 N ATOM 583 CA PRO A 41 -3.867 18.052 -4.674 1.00 75.23 C ATOM 584 C PRO A 41 -3.290 19.258 -3.889 1.00 62.05 C ATOM 585 O PRO A 41 -4.012 20.200 -3.561 1.00 53.15 O ATOM 586 CB PRO A 41 -5.363 17.875 -4.332 1.00 44.50 C ATOM 587 CG PRO A 41 -5.542 16.427 -4.016 1.00 20.41 C ATOM 588 CD PRO A 41 -4.225 15.953 -3.500 1.00 1.34 C ATOM 0 HA PRO A 41 -3.659 18.281 -5.719 1.00 75.23 H new ATOM 0 HB2 PRO A 41 -5.646 18.498 -3.483 1.00 44.50 H new ATOM 0 HB3 PRO A 41 -5.993 18.173 -5.170 1.00 44.50 H new ATOM 0 HG2 PRO A 41 -6.327 16.284 -3.273 1.00 20.41 H new ATOM 0 HG3 PRO A 41 -5.838 15.868 -4.904 1.00 20.41 H new ATOM 0 HD2 PRO A 41 -4.118 16.136 -2.431 1.00 1.34 H new ATOM 0 HD3 PRO A 41 -4.088 14.883 -3.656 1.00 1.34 H new ATOM 596 N ASP A 42 -2.001 19.255 -3.664 1.00 61.21 N ATOM 597 CA ASP A 42 -1.342 20.328 -2.935 1.00 1.01 C ATOM 598 C ASP A 42 -0.436 21.071 -3.875 1.00 44.53 C ATOM 599 O ASP A 42 0.055 20.507 -4.852 1.00 33.02 O ATOM 600 CB ASP A 42 -0.482 19.786 -1.808 1.00 72.45 C ATOM 601 CG ASP A 42 0.135 20.883 -0.964 1.00 45.33 C ATOM 602 OD1 ASP A 42 -0.568 21.498 -0.123 1.00 21.44 O ATOM 603 OD2 ASP A 42 1.305 21.193 -1.168 1.00 71.52 O ATOM 0 H ASP A 42 -1.373 18.514 -3.977 1.00 61.21 H new ATOM 0 HA ASP A 42 -2.115 20.975 -2.521 1.00 1.01 H new ATOM 0 HB2 ASP A 42 -1.088 19.141 -1.172 1.00 72.45 H new ATOM 0 HB3 ASP A 42 0.311 19.166 -2.227 1.00 72.45 H new ATOM 608 N THR A 43 -0.214 22.295 -3.593 1.00 35.35 N ATOM 609 CA THR A 43 0.657 23.090 -4.363 1.00 51.21 C ATOM 610 C THR A 43 2.043 23.129 -3.698 1.00 73.51 C ATOM 611 O THR A 43 2.194 23.627 -2.578 1.00 32.23 O ATOM 612 CB THR A 43 0.083 24.490 -4.446 1.00 34.22 C ATOM 613 OG1 THR A 43 -1.270 24.406 -4.937 1.00 12.24 O ATOM 614 CG2 THR A 43 0.910 25.386 -5.353 1.00 30.50 C ATOM 0 H THR A 43 -0.641 22.782 -2.805 1.00 35.35 H new ATOM 0 HA THR A 43 0.761 22.673 -5.365 1.00 51.21 H new ATOM 0 HB THR A 43 0.100 24.933 -3.450 1.00 34.22 H new ATOM 0 HG1 THR A 43 -1.654 25.306 -4.994 1.00 12.24 H new ATOM 0 HG21 THR A 43 0.465 26.381 -5.386 1.00 30.50 H new ATOM 0 HG22 THR A 43 1.927 25.456 -4.967 1.00 30.50 H new ATOM 0 HG23 THR A 43 0.932 24.965 -6.358 1.00 30.50 H new ATOM 622 N GLY A 44 3.036 22.641 -4.391 1.00 10.32 N ATOM 623 CA GLY A 44 4.368 22.604 -3.837 1.00 70.34 C ATOM 624 C GLY A 44 4.860 21.196 -3.614 1.00 14.55 C ATOM 625 O GLY A 44 6.053 20.987 -3.381 1.00 10.23 O ATOM 0 H GLY A 44 2.952 22.265 -5.335 1.00 10.32 H new ATOM 0 HA2 GLY A 44 5.052 23.123 -4.508 1.00 70.34 H new ATOM 0 HA3 GLY A 44 4.380 23.144 -2.890 1.00 70.34 H new ATOM 629 N VAL A 45 3.959 20.230 -3.679 1.00 44.41 N ATOM 630 CA VAL A 45 4.366 18.843 -3.601 1.00 22.24 C ATOM 631 C VAL A 45 5.066 18.444 -4.907 1.00 42.04 C ATOM 632 O VAL A 45 4.511 18.584 -6.007 1.00 74.13 O ATOM 633 CB VAL A 45 3.191 17.865 -3.251 1.00 4.11 C ATOM 634 CG1 VAL A 45 2.045 17.957 -4.248 1.00 35.41 C ATOM 635 CG2 VAL A 45 3.694 16.430 -3.148 1.00 2.22 C ATOM 0 H VAL A 45 2.956 20.380 -3.784 1.00 44.41 H new ATOM 0 HA VAL A 45 5.066 18.752 -2.770 1.00 22.24 H new ATOM 0 HB VAL A 45 2.801 18.173 -2.281 1.00 4.11 H new ATOM 0 HG11 VAL A 45 1.257 17.261 -3.962 1.00 35.41 H new ATOM 0 HG12 VAL A 45 1.648 18.972 -4.253 1.00 35.41 H new ATOM 0 HG13 VAL A 45 2.408 17.704 -5.244 1.00 35.41 H new ATOM 0 HG21 VAL A 45 2.862 15.769 -2.904 1.00 2.22 H new ATOM 0 HG22 VAL A 45 4.130 16.128 -4.100 1.00 2.22 H new ATOM 0 HG23 VAL A 45 4.450 16.365 -2.366 1.00 2.22 H new ATOM 645 N SER A 46 6.282 17.997 -4.766 1.00 13.24 N ATOM 646 CA SER A 46 7.138 17.650 -5.868 1.00 13.15 C ATOM 647 C SER A 46 6.600 16.445 -6.666 1.00 73.42 C ATOM 648 O SER A 46 5.719 15.737 -6.191 1.00 53.21 O ATOM 649 CB SER A 46 8.500 17.374 -5.285 1.00 41.20 C ATOM 650 OG SER A 46 8.872 18.467 -4.443 1.00 65.51 O ATOM 0 H SER A 46 6.719 17.860 -3.855 1.00 13.24 H new ATOM 0 HA SER A 46 7.184 18.468 -6.587 1.00 13.15 H new ATOM 0 HB2 SER A 46 8.485 16.446 -4.714 1.00 41.20 H new ATOM 0 HB3 SER A 46 9.232 17.246 -6.082 1.00 41.20 H new ATOM 0 HG SER A 46 9.757 18.296 -4.057 1.00 65.51 H new ATOM 656 N ARG A 47 7.130 16.245 -7.887 1.00 2.44 N ATOM 657 CA ARG A 47 6.714 15.151 -8.799 1.00 3.43 C ATOM 658 C ARG A 47 6.825 13.825 -8.094 1.00 3.01 C ATOM 659 O ARG A 47 5.906 13.011 -8.108 1.00 73.13 O ATOM 660 CB ARG A 47 7.622 15.105 -10.026 1.00 33.23 C ATOM 661 CG ARG A 47 7.699 16.386 -10.844 1.00 53.41 C ATOM 662 CD ARG A 47 8.975 16.437 -11.679 1.00 3.02 C ATOM 663 NE ARG A 47 9.157 15.265 -12.547 1.00 44.44 N ATOM 664 CZ ARG A 47 10.140 15.114 -13.444 1.00 73.21 C ATOM 665 NH1 ARG A 47 10.989 16.112 -13.691 1.00 33.25 N ATOM 666 NH2 ARG A 47 10.268 13.962 -14.086 1.00 51.34 N ATOM 0 H ARG A 47 7.863 16.838 -8.275 1.00 2.44 H new ATOM 0 HA ARG A 47 5.684 15.339 -9.102 1.00 3.43 H new ATOM 0 HB2 ARG A 47 8.629 14.844 -9.699 1.00 33.23 H new ATOM 0 HB3 ARG A 47 7.280 14.301 -10.677 1.00 33.23 H new ATOM 0 HG2 ARG A 47 6.831 16.454 -11.499 1.00 53.41 H new ATOM 0 HG3 ARG A 47 7.664 17.248 -10.178 1.00 53.41 H new ATOM 0 HD2 ARG A 47 8.961 17.336 -12.295 1.00 3.02 H new ATOM 0 HD3 ARG A 47 9.833 16.521 -11.012 1.00 3.02 H new ATOM 0 HE ARG A 47 8.481 14.506 -12.459 1.00 44.44 H new ATOM 0 HH11 ARG A 47 10.892 16.998 -13.195 1.00 33.25 H new ATOM 0 HH12 ARG A 47 11.735 15.989 -14.376 1.00 33.25 H new ATOM 0 HH21 ARG A 47 9.620 13.197 -13.896 1.00 51.34 H new ATOM 0 HH22 ARG A 47 11.014 13.840 -14.771 1.00 51.34 H new ATOM 680 N ARG A 48 7.960 13.627 -7.494 1.00 4.32 N ATOM 681 CA ARG A 48 8.244 12.457 -6.734 1.00 22.20 C ATOM 682 C ARG A 48 8.553 12.926 -5.354 1.00 4.24 C ATOM 683 O ARG A 48 9.602 13.497 -5.129 1.00 23.54 O ATOM 684 CB ARG A 48 9.470 11.736 -7.289 1.00 10.20 C ATOM 685 CG ARG A 48 9.385 11.410 -8.757 1.00 61.13 C ATOM 686 CD ARG A 48 10.698 10.852 -9.267 1.00 33.52 C ATOM 687 NE ARG A 48 10.710 10.777 -10.720 1.00 55.21 N ATOM 688 CZ ARG A 48 11.637 10.191 -11.473 1.00 33.15 C ATOM 689 NH1 ARG A 48 12.659 9.532 -10.928 1.00 44.33 N ATOM 690 NH2 ARG A 48 11.526 10.271 -12.779 1.00 41.21 N ATOM 0 H ARG A 48 8.731 14.294 -7.523 1.00 4.32 H new ATOM 0 HA ARG A 48 7.401 11.767 -6.764 1.00 22.20 H new ATOM 0 HB2 ARG A 48 10.350 12.355 -7.117 1.00 10.20 H new ATOM 0 HB3 ARG A 48 9.617 10.811 -6.731 1.00 10.20 H new ATOM 0 HG2 ARG A 48 8.588 10.686 -8.927 1.00 61.13 H new ATOM 0 HG3 ARG A 48 9.125 12.308 -9.318 1.00 61.13 H new ATOM 0 HD2 ARG A 48 11.520 11.481 -8.926 1.00 33.52 H new ATOM 0 HD3 ARG A 48 10.861 9.859 -8.848 1.00 33.52 H new ATOM 0 HE ARG A 48 9.931 11.217 -11.210 1.00 55.21 H new ATOM 0 HH11 ARG A 48 12.742 9.469 -9.913 1.00 44.33 H new ATOM 0 HH12 ARG A 48 13.358 9.090 -11.525 1.00 44.33 H new ATOM 0 HH21 ARG A 48 10.742 10.774 -13.194 1.00 41.21 H new ATOM 0 HH22 ARG A 48 12.224 9.830 -13.378 1.00 41.21 H new ATOM 704 N HIS A 49 7.621 12.795 -4.480 1.00 40.15 N ATOM 705 CA HIS A 49 7.817 13.195 -3.107 1.00 53.23 C ATOM 706 C HIS A 49 8.026 11.961 -2.247 1.00 33.34 C ATOM 707 O HIS A 49 8.762 11.982 -1.262 1.00 41.14 O ATOM 708 CB HIS A 49 6.635 14.076 -2.598 1.00 43.41 C ATOM 709 CG HIS A 49 6.718 14.432 -1.136 1.00 44.42 C ATOM 710 ND1 HIS A 49 7.304 15.594 -0.706 1.00 53.12 N ATOM 711 CD2 HIS A 49 6.309 13.718 -0.063 1.00 3.10 C ATOM 712 CE1 HIS A 49 7.241 15.546 0.621 1.00 45.02 C ATOM 713 NE2 HIS A 49 6.653 14.430 1.046 1.00 24.31 N ATOM 0 H HIS A 49 6.698 12.410 -4.682 1.00 40.15 H new ATOM 0 HA HIS A 49 8.711 13.815 -3.038 1.00 53.23 H new ATOM 0 HB2 HIS A 49 6.603 14.995 -3.183 1.00 43.41 H new ATOM 0 HB3 HIS A 49 5.698 13.549 -2.780 1.00 43.41 H new ATOM 0 HD2 HIS A 49 5.805 12.763 -0.082 1.00 3.10 H new ATOM 0 HE1 HIS A 49 7.620 16.318 1.274 1.00 45.02 H new ATOM 0 HE2 HIS A 49 6.491 14.160 2.016 1.00 24.31 H new ATOM 721 N LEU A 50 7.391 10.889 -2.623 1.00 71.12 N ATOM 722 CA LEU A 50 7.501 9.668 -1.885 1.00 41.41 C ATOM 723 C LEU A 50 7.030 8.527 -2.760 1.00 54.43 C ATOM 724 O LEU A 50 6.207 8.731 -3.652 1.00 61.40 O ATOM 725 CB LEU A 50 6.694 9.821 -0.563 1.00 64.24 C ATOM 726 CG LEU A 50 6.635 8.650 0.418 1.00 44.13 C ATOM 727 CD1 LEU A 50 6.354 9.188 1.806 1.00 32.54 C ATOM 728 CD2 LEU A 50 5.513 7.700 0.038 1.00 3.45 C ATOM 0 H LEU A 50 6.787 10.838 -3.444 1.00 71.12 H new ATOM 0 HA LEU A 50 8.531 9.444 -1.607 1.00 41.41 H new ATOM 0 HB2 LEU A 50 7.103 10.677 -0.027 1.00 64.24 H new ATOM 0 HB3 LEU A 50 5.669 10.074 -0.833 1.00 64.24 H new ATOM 0 HG LEU A 50 7.586 8.118 0.392 1.00 44.13 H new ATOM 0 HD11 LEU A 50 6.310 8.361 2.515 1.00 32.54 H new ATOM 0 HD12 LEU A 50 7.149 9.874 2.098 1.00 32.54 H new ATOM 0 HD13 LEU A 50 5.401 9.717 1.805 1.00 32.54 H new ATOM 0 HD21 LEU A 50 5.483 6.871 0.745 1.00 3.45 H new ATOM 0 HD22 LEU A 50 4.562 8.232 0.062 1.00 3.45 H new ATOM 0 HD23 LEU A 50 5.688 7.314 -0.966 1.00 3.45 H new ATOM 740 N GLU A 51 7.577 7.364 -2.554 1.00 2.32 N ATOM 741 CA GLU A 51 7.194 6.205 -3.310 1.00 14.42 C ATOM 742 C GLU A 51 6.898 5.050 -2.383 1.00 53.41 C ATOM 743 O GLU A 51 7.578 4.850 -1.375 1.00 35.43 O ATOM 744 CB GLU A 51 8.278 5.811 -4.318 1.00 2.10 C ATOM 745 CG GLU A 51 9.637 5.542 -3.702 1.00 50.22 C ATOM 746 CD GLU A 51 10.672 5.120 -4.710 1.00 33.23 C ATOM 747 OE1 GLU A 51 10.654 3.945 -5.158 1.00 61.42 O ATOM 748 OE2 GLU A 51 11.562 5.915 -5.041 1.00 3.45 O ATOM 0 H GLU A 51 8.302 7.191 -1.857 1.00 2.32 H new ATOM 0 HA GLU A 51 6.292 6.454 -3.869 1.00 14.42 H new ATOM 0 HB2 GLU A 51 7.952 4.919 -4.854 1.00 2.10 H new ATOM 0 HB3 GLU A 51 8.378 6.607 -5.056 1.00 2.10 H new ATOM 0 HG2 GLU A 51 9.982 6.441 -3.192 1.00 50.22 H new ATOM 0 HG3 GLU A 51 9.538 4.764 -2.945 1.00 50.22 H new ATOM 755 N ILE A 52 5.864 4.335 -2.677 1.00 52.42 N ATOM 756 CA ILE A 52 5.538 3.171 -1.911 1.00 61.22 C ATOM 757 C ILE A 52 5.570 1.967 -2.808 1.00 34.20 C ATOM 758 O ILE A 52 4.789 1.883 -3.756 1.00 24.30 O ATOM 759 CB ILE A 52 4.145 3.265 -1.253 1.00 1.15 C ATOM 760 CG1 ILE A 52 4.077 4.476 -0.313 1.00 30.11 C ATOM 761 CG2 ILE A 52 3.866 1.974 -0.494 1.00 60.32 C ATOM 762 CD1 ILE A 52 2.712 4.732 0.292 1.00 62.04 C ATOM 0 H ILE A 52 5.225 4.535 -3.446 1.00 52.42 H new ATOM 0 HA ILE A 52 6.276 3.089 -1.113 1.00 61.22 H new ATOM 0 HB ILE A 52 3.385 3.399 -2.023 1.00 1.15 H new ATOM 0 HG12 ILE A 52 4.796 4.333 0.494 1.00 30.11 H new ATOM 0 HG13 ILE A 52 4.388 5.364 -0.864 1.00 30.11 H new ATOM 0 HG21 ILE A 52 2.883 2.032 -0.026 1.00 60.32 H new ATOM 0 HG22 ILE A 52 3.889 1.133 -1.187 1.00 60.32 H new ATOM 0 HG23 ILE A 52 4.626 1.832 0.274 1.00 60.32 H new ATOM 0 HD11 ILE A 52 2.760 5.606 0.941 1.00 62.04 H new ATOM 0 HD12 ILE A 52 1.989 4.910 -0.504 1.00 62.04 H new ATOM 0 HD13 ILE A 52 2.404 3.864 0.874 1.00 62.04 H new ATOM 774 N ARG A 53 6.461 1.059 -2.545 1.00 41.40 N ATOM 775 CA ARG A 53 6.529 -0.141 -3.308 1.00 4.51 C ATOM 776 C ARG A 53 5.700 -1.174 -2.567 1.00 12.15 C ATOM 777 O ARG A 53 6.079 -1.656 -1.489 1.00 23.44 O ATOM 778 CB ARG A 53 8.009 -0.563 -3.522 1.00 42.41 C ATOM 779 CG ARG A 53 8.250 -1.667 -4.572 1.00 71.33 C ATOM 780 CD ARG A 53 7.912 -3.061 -4.069 1.00 63.23 C ATOM 781 NE ARG A 53 8.784 -3.452 -2.953 1.00 42.00 N ATOM 782 CZ ARG A 53 8.658 -4.564 -2.222 1.00 14.51 C ATOM 783 NH1 ARG A 53 7.754 -5.489 -2.550 1.00 32.24 N ATOM 784 NH2 ARG A 53 9.484 -4.776 -1.200 1.00 33.41 N ATOM 0 H ARG A 53 7.154 1.132 -1.800 1.00 41.40 H new ATOM 0 HA ARG A 53 6.123 -0.017 -4.312 1.00 4.51 H new ATOM 0 HB2 ARG A 53 8.580 0.319 -3.813 1.00 42.41 H new ATOM 0 HB3 ARG A 53 8.411 -0.902 -2.568 1.00 42.41 H new ATOM 0 HG2 ARG A 53 7.652 -1.453 -5.458 1.00 71.33 H new ATOM 0 HG3 ARG A 53 9.295 -1.643 -4.880 1.00 71.33 H new ATOM 0 HD2 ARG A 53 6.871 -3.091 -3.748 1.00 63.23 H new ATOM 0 HD3 ARG A 53 8.016 -3.779 -4.883 1.00 63.23 H new ATOM 0 HE ARG A 53 9.550 -2.822 -2.716 1.00 42.00 H new ATOM 0 HH11 ARG A 53 7.154 -5.350 -3.363 1.00 32.24 H new ATOM 0 HH12 ARG A 53 7.663 -6.335 -1.988 1.00 32.24 H new ATOM 0 HH21 ARG A 53 10.208 -4.092 -0.979 1.00 33.41 H new ATOM 0 HH22 ARG A 53 9.393 -5.622 -0.638 1.00 33.41 H new ATOM 798 N TRP A 54 4.566 -1.466 -3.123 1.00 34.12 N ATOM 799 CA TRP A 54 3.616 -2.356 -2.529 1.00 45.32 C ATOM 800 C TRP A 54 3.541 -3.632 -3.340 1.00 40.11 C ATOM 801 O TRP A 54 3.737 -3.625 -4.556 1.00 45.40 O ATOM 802 CB TRP A 54 2.225 -1.649 -2.436 1.00 63.21 C ATOM 803 CG TRP A 54 1.048 -2.526 -2.018 1.00 30.22 C ATOM 804 CD1 TRP A 54 -0.073 -2.780 -2.744 1.00 13.43 C ATOM 805 CD2 TRP A 54 0.896 -3.268 -0.808 1.00 44.41 C ATOM 806 NE1 TRP A 54 -0.917 -3.612 -2.054 1.00 54.51 N ATOM 807 CE2 TRP A 54 -0.341 -3.933 -0.869 1.00 51.33 C ATOM 808 CE3 TRP A 54 1.675 -3.436 0.308 1.00 64.42 C ATOM 809 CZ2 TRP A 54 -0.800 -4.747 0.158 1.00 30.10 C ATOM 810 CZ3 TRP A 54 1.226 -4.242 1.326 1.00 74.05 C ATOM 811 CH2 TRP A 54 0.000 -4.892 1.247 1.00 13.44 C ATOM 0 H TRP A 54 4.268 -1.085 -4.021 1.00 34.12 H new ATOM 0 HA TRP A 54 3.928 -2.618 -1.518 1.00 45.32 H new ATOM 0 HB2 TRP A 54 2.307 -0.825 -1.727 1.00 63.21 H new ATOM 0 HB3 TRP A 54 1.998 -1.212 -3.408 1.00 63.21 H new ATOM 0 HD1 TRP A 54 -0.271 -2.382 -3.728 1.00 13.43 H new ATOM 0 HE1 TRP A 54 -1.828 -3.936 -2.379 1.00 54.51 H new ATOM 0 HE3 TRP A 54 2.631 -2.940 0.386 1.00 64.42 H new ATOM 0 HZ2 TRP A 54 -1.756 -5.246 0.094 1.00 30.10 H new ATOM 0 HZ3 TRP A 54 1.838 -4.373 2.206 1.00 74.05 H new ATOM 0 HH2 TRP A 54 -0.322 -5.522 2.063 1.00 13.44 H new ATOM 822 N ASP A 55 3.311 -4.705 -2.668 1.00 1.43 N ATOM 823 CA ASP A 55 3.130 -5.994 -3.268 1.00 11.32 C ATOM 824 C ASP A 55 2.201 -6.701 -2.330 1.00 13.20 C ATOM 825 O ASP A 55 2.062 -6.248 -1.199 1.00 43.45 O ATOM 826 CB ASP A 55 4.468 -6.731 -3.361 1.00 33.34 C ATOM 827 CG ASP A 55 4.429 -7.942 -4.272 1.00 4.33 C ATOM 828 OD1 ASP A 55 3.985 -9.018 -3.837 1.00 51.14 O ATOM 829 OD2 ASP A 55 4.887 -7.839 -5.437 1.00 32.45 O ATOM 0 H ASP A 55 3.240 -4.717 -1.651 1.00 1.43 H new ATOM 0 HA ASP A 55 2.738 -5.938 -4.283 1.00 11.32 H new ATOM 0 HB2 ASP A 55 5.230 -6.040 -3.721 1.00 33.34 H new ATOM 0 HB3 ASP A 55 4.770 -7.047 -2.362 1.00 33.34 H new ATOM 834 N GLY A 56 1.605 -7.792 -2.728 1.00 34.41 N ATOM 835 CA GLY A 56 0.609 -8.463 -1.891 1.00 71.34 C ATOM 836 C GLY A 56 1.186 -9.214 -0.689 1.00 65.10 C ATOM 837 O GLY A 56 0.683 -10.270 -0.312 1.00 15.24 O ATOM 0 H GLY A 56 1.782 -8.246 -3.624 1.00 34.41 H new ATOM 0 HA2 GLY A 56 -0.103 -7.720 -1.531 1.00 71.34 H new ATOM 0 HA3 GLY A 56 0.050 -9.167 -2.508 1.00 71.34 H new ATOM 841 N GLN A 57 2.203 -8.664 -0.087 1.00 23.31 N ATOM 842 CA GLN A 57 2.850 -9.220 1.072 1.00 22.31 C ATOM 843 C GLN A 57 3.148 -8.121 2.074 1.00 60.02 C ATOM 844 O GLN A 57 2.477 -8.020 3.103 1.00 33.42 O ATOM 845 CB GLN A 57 4.130 -9.983 0.702 1.00 52.10 C ATOM 846 CG GLN A 57 3.888 -11.322 0.018 1.00 75.21 C ATOM 847 CD GLN A 57 5.173 -12.002 -0.394 1.00 34.31 C ATOM 848 OE1 GLN A 57 6.227 -11.808 0.227 1.00 32.20 O ATOM 849 NE2 GLN A 57 5.107 -12.817 -1.420 1.00 30.03 N ATOM 0 H GLN A 57 2.620 -7.787 -0.399 1.00 23.31 H new ATOM 0 HA GLN A 57 2.169 -9.940 1.525 1.00 22.31 H new ATOM 0 HB2 GLN A 57 4.735 -9.357 0.045 1.00 52.10 H new ATOM 0 HB3 GLN A 57 4.713 -10.151 1.608 1.00 52.10 H new ATOM 0 HG2 GLN A 57 3.335 -11.976 0.692 1.00 75.21 H new ATOM 0 HG3 GLN A 57 3.263 -11.169 -0.862 1.00 75.21 H new ATOM 0 HE21 GLN A 57 4.221 -12.952 -1.908 1.00 30.03 H new ATOM 0 HE22 GLN A 57 5.941 -13.315 -1.730 1.00 30.03 H new ATOM 858 N VAL A 58 4.110 -7.268 1.749 1.00 54.54 N ATOM 859 CA VAL A 58 4.523 -6.193 2.641 1.00 1.42 C ATOM 860 C VAL A 58 4.576 -4.868 1.897 1.00 64.40 C ATOM 861 O VAL A 58 4.668 -4.840 0.657 1.00 53.32 O ATOM 862 CB VAL A 58 5.903 -6.465 3.309 1.00 4.12 C ATOM 863 CG1 VAL A 58 5.848 -7.699 4.190 1.00 33.03 C ATOM 864 CG2 VAL A 58 7.003 -6.608 2.264 1.00 1.10 C ATOM 0 H VAL A 58 4.622 -7.301 0.868 1.00 54.54 H new ATOM 0 HA VAL A 58 3.774 -6.145 3.431 1.00 1.42 H new ATOM 0 HB VAL A 58 6.139 -5.605 3.936 1.00 4.12 H new ATOM 0 HG11 VAL A 58 6.825 -7.866 4.644 1.00 33.03 H new ATOM 0 HG12 VAL A 58 5.104 -7.554 4.973 1.00 33.03 H new ATOM 0 HG13 VAL A 58 5.576 -8.565 3.587 1.00 33.03 H new ATOM 0 HG21 VAL A 58 7.955 -6.797 2.761 1.00 1.10 H new ATOM 0 HG22 VAL A 58 6.768 -7.440 1.600 1.00 1.10 H new ATOM 0 HG23 VAL A 58 7.074 -5.689 1.682 1.00 1.10 H new ATOM 874 N ALA A 59 4.517 -3.788 2.647 1.00 34.32 N ATOM 875 CA ALA A 59 4.520 -2.451 2.099 1.00 75.33 C ATOM 876 C ALA A 59 5.802 -1.748 2.447 1.00 5.40 C ATOM 877 O ALA A 59 6.096 -1.502 3.623 1.00 71.40 O ATOM 878 CB ALA A 59 3.344 -1.669 2.637 1.00 65.33 C ATOM 0 H ALA A 59 4.465 -3.816 3.665 1.00 34.32 H new ATOM 0 HA ALA A 59 4.438 -2.518 1.014 1.00 75.33 H new ATOM 0 HB1 ALA A 59 3.354 -0.663 2.219 1.00 65.33 H new ATOM 0 HB2 ALA A 59 2.416 -2.169 2.358 1.00 65.33 H new ATOM 0 HB3 ALA A 59 3.412 -1.611 3.723 1.00 65.33 H new ATOM 884 N LEU A 60 6.552 -1.419 1.448 1.00 43.42 N ATOM 885 CA LEU A 60 7.808 -0.774 1.635 1.00 71.31 C ATOM 886 C LEU A 60 7.704 0.664 1.158 1.00 24.15 C ATOM 887 O LEU A 60 7.445 0.922 -0.015 1.00 12.34 O ATOM 888 CB LEU A 60 8.887 -1.585 0.894 1.00 72.10 C ATOM 889 CG LEU A 60 10.341 -1.122 0.996 1.00 20.21 C ATOM 890 CD1 LEU A 60 11.247 -2.296 0.718 1.00 31.24 C ATOM 891 CD2 LEU A 60 10.636 -0.017 -0.015 1.00 42.53 C ATOM 0 H LEU A 60 6.309 -1.592 0.473 1.00 43.42 H new ATOM 0 HA LEU A 60 8.091 -0.737 2.687 1.00 71.31 H new ATOM 0 HB2 LEU A 60 8.839 -2.612 1.257 1.00 72.10 H new ATOM 0 HB3 LEU A 60 8.619 -1.608 -0.162 1.00 72.10 H new ATOM 0 HG LEU A 60 10.513 -0.730 1.998 1.00 20.21 H new ATOM 0 HD11 LEU A 60 12.287 -1.978 0.788 1.00 31.24 H new ATOM 0 HD12 LEU A 60 11.058 -3.082 1.449 1.00 31.24 H new ATOM 0 HD13 LEU A 60 11.051 -2.678 -0.284 1.00 31.24 H new ATOM 0 HD21 LEU A 60 11.677 0.294 0.079 1.00 42.53 H new ATOM 0 HD22 LEU A 60 10.458 -0.390 -1.024 1.00 42.53 H new ATOM 0 HD23 LEU A 60 9.984 0.835 0.177 1.00 42.53 H new ATOM 903 N LEU A 61 7.872 1.585 2.061 1.00 3.50 N ATOM 904 CA LEU A 61 7.769 2.983 1.752 1.00 33.34 C ATOM 905 C LEU A 61 9.137 3.615 1.698 1.00 3.34 C ATOM 906 O LEU A 61 10.020 3.276 2.492 1.00 70.12 O ATOM 907 CB LEU A 61 6.857 3.695 2.786 1.00 41.12 C ATOM 908 CG LEU A 61 6.745 5.244 2.679 1.00 72.51 C ATOM 909 CD1 LEU A 61 5.417 5.702 3.198 1.00 23.23 C ATOM 910 CD2 LEU A 61 7.837 5.941 3.500 1.00 30.34 C ATOM 0 H LEU A 61 8.086 1.387 3.039 1.00 3.50 H new ATOM 0 HA LEU A 61 7.314 3.095 0.768 1.00 33.34 H new ATOM 0 HB2 LEU A 61 5.855 3.276 2.699 1.00 41.12 H new ATOM 0 HB3 LEU A 61 7.220 3.449 3.784 1.00 41.12 H new ATOM 0 HG LEU A 61 6.859 5.504 1.627 1.00 72.51 H new ATOM 0 HD11 LEU A 61 5.350 6.787 3.118 1.00 23.23 H new ATOM 0 HD12 LEU A 61 4.620 5.245 2.612 1.00 23.23 H new ATOM 0 HD13 LEU A 61 5.313 5.408 4.242 1.00 23.23 H new ATOM 0 HD21 LEU A 61 7.731 7.022 3.404 1.00 30.34 H new ATOM 0 HD22 LEU A 61 7.740 5.659 4.548 1.00 30.34 H new ATOM 0 HD23 LEU A 61 8.818 5.639 3.132 1.00 30.34 H new ATOM 922 N ALA A 62 9.306 4.526 0.780 1.00 23.14 N ATOM 923 CA ALA A 62 10.525 5.262 0.640 1.00 20.01 C ATOM 924 C ALA A 62 10.212 6.727 0.390 1.00 31.13 C ATOM 925 O ALA A 62 9.417 7.067 -0.489 1.00 61.02 O ATOM 926 CB ALA A 62 11.378 4.691 -0.475 1.00 64.54 C ATOM 0 H ALA A 62 8.589 4.779 0.100 1.00 23.14 H new ATOM 0 HA ALA A 62 11.096 5.177 1.565 1.00 20.01 H new ATOM 0 HB1 ALA A 62 12.299 5.268 -0.561 1.00 64.54 H new ATOM 0 HB2 ALA A 62 11.621 3.652 -0.252 1.00 64.54 H new ATOM 0 HB3 ALA A 62 10.829 4.742 -1.415 1.00 64.54 H new ATOM 932 N ASP A 63 10.805 7.571 1.179 1.00 65.24 N ATOM 933 CA ASP A 63 10.634 9.012 1.070 1.00 64.33 C ATOM 934 C ASP A 63 11.568 9.546 0.003 1.00 73.14 C ATOM 935 O ASP A 63 12.720 9.079 -0.114 1.00 32.13 O ATOM 936 CB ASP A 63 10.926 9.672 2.427 1.00 3.22 C ATOM 937 CG ASP A 63 11.067 11.179 2.352 1.00 70.03 C ATOM 938 OD1 ASP A 63 10.058 11.891 2.433 1.00 11.41 O ATOM 939 OD2 ASP A 63 12.208 11.659 2.236 1.00 2.24 O ATOM 0 H ASP A 63 11.433 7.287 1.931 1.00 65.24 H new ATOM 0 HA ASP A 63 9.607 9.244 0.788 1.00 64.33 H new ATOM 0 HB2 ASP A 63 10.123 9.425 3.122 1.00 3.22 H new ATOM 0 HB3 ASP A 63 11.844 9.250 2.837 1.00 3.22 H new ATOM 944 N LEU A 64 11.102 10.485 -0.778 1.00 25.34 N ATOM 945 CA LEU A 64 11.898 11.025 -1.847 1.00 1.05 C ATOM 946 C LEU A 64 11.795 12.554 -1.790 1.00 71.24 C ATOM 947 O LEU A 64 11.062 13.149 -2.564 1.00 64.11 O ATOM 948 CB LEU A 64 11.309 10.495 -3.194 1.00 10.23 C ATOM 949 CG LEU A 64 12.172 10.502 -4.490 1.00 45.22 C ATOM 950 CD1 LEU A 64 12.734 11.874 -4.859 1.00 42.54 C ATOM 951 CD2 LEU A 64 13.266 9.447 -4.430 1.00 5.21 C ATOM 0 H LEU A 64 10.171 10.893 -0.693 1.00 25.34 H new ATOM 0 HA LEU A 64 12.944 10.729 -1.762 1.00 1.05 H new ATOM 0 HB2 LEU A 64 10.992 9.466 -3.024 1.00 10.23 H new ATOM 0 HB3 LEU A 64 10.410 11.075 -3.403 1.00 10.23 H new ATOM 0 HG LEU A 64 11.488 10.245 -5.299 1.00 45.22 H new ATOM 0 HD11 LEU A 64 13.323 11.792 -5.773 1.00 42.54 H new ATOM 0 HD12 LEU A 64 11.913 12.573 -5.018 1.00 42.54 H new ATOM 0 HD13 LEU A 64 13.368 12.237 -4.050 1.00 42.54 H new ATOM 0 HD21 LEU A 64 13.851 9.477 -5.349 1.00 5.21 H new ATOM 0 HD22 LEU A 64 13.917 9.646 -3.579 1.00 5.21 H new ATOM 0 HD23 LEU A 64 12.815 8.461 -4.319 1.00 5.21 H new ATOM 963 N ASN A 65 12.508 13.182 -0.871 1.00 31.52 N ATOM 964 CA ASN A 65 12.498 14.647 -0.759 1.00 3.50 C ATOM 965 C ASN A 65 13.444 15.076 0.351 1.00 13.54 C ATOM 966 O ASN A 65 13.285 14.684 1.498 1.00 32.34 O ATOM 967 CB ASN A 65 11.068 15.191 -0.464 1.00 44.44 C ATOM 968 CG ASN A 65 10.931 16.694 -0.699 1.00 71.11 C ATOM 969 OD1 ASN A 65 11.876 17.457 -0.545 1.00 35.43 O ATOM 970 ND2 ASN A 65 9.757 17.132 -1.055 1.00 23.13 N ATOM 0 H ASN A 65 13.102 12.710 -0.189 1.00 31.52 H new ATOM 0 HA ASN A 65 12.825 15.061 -1.713 1.00 3.50 H new ATOM 0 HB2 ASN A 65 10.350 14.665 -1.094 1.00 44.44 H new ATOM 0 HB3 ASN A 65 10.808 14.967 0.571 1.00 44.44 H new ATOM 0 HD21 ASN A 65 9.611 18.129 -1.211 1.00 23.13 H new ATOM 0 HD22 ASN A 65 8.984 16.478 -1.177 1.00 23.13 H new ATOM 977 N SER A 66 14.420 15.875 0.019 1.00 72.12 N ATOM 978 CA SER A 66 15.378 16.332 1.002 1.00 33.22 C ATOM 979 C SER A 66 14.882 17.628 1.676 1.00 61.05 C ATOM 980 O SER A 66 15.301 17.971 2.778 1.00 33.21 O ATOM 981 CB SER A 66 16.722 16.565 0.312 1.00 21.41 C ATOM 982 OG SER A 66 17.092 15.422 -0.460 1.00 41.21 O ATOM 0 H SER A 66 14.578 16.227 -0.925 1.00 72.12 H new ATOM 0 HA SER A 66 15.495 15.575 1.778 1.00 33.22 H new ATOM 0 HB2 SER A 66 16.660 17.442 -0.332 1.00 21.41 H new ATOM 0 HB3 SER A 66 17.490 16.772 1.058 1.00 21.41 H new ATOM 0 HG SER A 66 17.954 15.587 -0.897 1.00 41.21 H new ATOM 988 N THR A 67 13.967 18.304 1.017 1.00 72.23 N ATOM 989 CA THR A 67 13.460 19.584 1.462 1.00 14.01 C ATOM 990 C THR A 67 12.239 19.413 2.397 1.00 71.23 C ATOM 991 O THR A 67 12.212 19.925 3.522 1.00 53.40 O ATOM 992 CB THR A 67 13.043 20.408 0.222 1.00 75.33 C ATOM 993 OG1 THR A 67 14.131 20.414 -0.732 1.00 25.55 O ATOM 994 CG2 THR A 67 12.693 21.844 0.595 1.00 74.55 C ATOM 0 H THR A 67 13.549 17.977 0.146 1.00 72.23 H new ATOM 0 HA THR A 67 14.244 20.095 2.021 1.00 14.01 H new ATOM 0 HB THR A 67 12.156 19.945 -0.212 1.00 75.33 H new ATOM 0 HG1 THR A 67 13.871 20.934 -1.521 1.00 25.55 H new ATOM 0 HG21 THR A 67 12.405 22.393 -0.302 1.00 74.55 H new ATOM 0 HG22 THR A 67 11.864 21.844 1.303 1.00 74.55 H new ATOM 0 HG23 THR A 67 13.560 22.323 1.051 1.00 74.55 H new ATOM 1002 N ASN A 68 11.267 18.666 1.932 1.00 64.14 N ATOM 1003 CA ASN A 68 9.981 18.497 2.619 1.00 62.01 C ATOM 1004 C ASN A 68 9.850 17.078 3.145 1.00 23.53 C ATOM 1005 O ASN A 68 8.730 16.572 3.297 1.00 75.24 O ATOM 1006 CB ASN A 68 8.814 18.786 1.654 1.00 14.42 C ATOM 1007 CG ASN A 68 8.859 20.162 1.015 1.00 11.22 C ATOM 1008 OD1 ASN A 68 9.423 20.332 -0.071 1.00 22.23 O ATOM 1009 ND2 ASN A 68 8.290 21.145 1.664 1.00 11.11 N ATOM 0 H ASN A 68 11.334 18.147 1.057 1.00 64.14 H new ATOM 0 HA ASN A 68 9.944 19.200 3.451 1.00 62.01 H new ATOM 0 HB2 ASN A 68 8.814 18.032 0.867 1.00 14.42 H new ATOM 0 HB3 ASN A 68 7.875 18.681 2.197 1.00 14.42 H new ATOM 0 HD21 ASN A 68 8.303 22.088 1.275 1.00 11.11 H new ATOM 0 HD22 ASN A 68 7.833 20.969 2.559 1.00 11.11 H new ATOM 1016 N GLY A 69 11.007 16.472 3.451 1.00 3.21 N ATOM 1017 CA GLY A 69 11.112 15.063 3.857 1.00 20.42 C ATOM 1018 C GLY A 69 10.053 14.600 4.845 1.00 31.54 C ATOM 1019 O GLY A 69 9.834 15.222 5.899 1.00 53.42 O ATOM 0 H GLY A 69 11.906 16.952 3.423 1.00 3.21 H new ATOM 0 HA2 GLY A 69 11.054 14.438 2.966 1.00 20.42 H new ATOM 0 HA3 GLY A 69 12.095 14.900 4.298 1.00 20.42 H new ATOM 1023 N THR A 70 9.448 13.505 4.508 1.00 11.53 N ATOM 1024 CA THR A 70 8.312 12.955 5.191 1.00 52.33 C ATOM 1025 C THR A 70 8.681 12.286 6.544 1.00 13.14 C ATOM 1026 O THR A 70 9.814 11.799 6.753 1.00 5.33 O ATOM 1027 CB THR A 70 7.659 11.935 4.246 1.00 70.33 C ATOM 1028 OG1 THR A 70 7.554 12.531 2.941 1.00 13.10 O ATOM 1029 CG2 THR A 70 6.284 11.537 4.715 1.00 53.51 C ATOM 0 H THR A 70 9.744 12.941 3.712 1.00 11.53 H new ATOM 0 HA THR A 70 7.625 13.764 5.441 1.00 52.33 H new ATOM 0 HB THR A 70 8.277 11.038 4.225 1.00 70.33 H new ATOM 0 HG1 THR A 70 8.375 12.358 2.435 1.00 13.10 H new ATOM 0 HG21 THR A 70 5.857 10.815 4.019 1.00 53.51 H new ATOM 0 HG22 THR A 70 6.353 11.089 5.706 1.00 53.51 H new ATOM 0 HG23 THR A 70 5.645 12.419 4.759 1.00 53.51 H new ATOM 1037 N THR A 71 7.720 12.286 7.450 1.00 12.43 N ATOM 1038 CA THR A 71 7.850 11.696 8.745 1.00 12.02 C ATOM 1039 C THR A 71 6.827 10.600 8.921 1.00 0.42 C ATOM 1040 O THR A 71 5.704 10.698 8.424 1.00 21.42 O ATOM 1041 CB THR A 71 7.636 12.732 9.861 1.00 73.42 C ATOM 1042 OG1 THR A 71 6.404 13.445 9.668 1.00 4.41 O ATOM 1043 CG2 THR A 71 8.778 13.695 9.936 1.00 72.24 C ATOM 0 H THR A 71 6.807 12.711 7.288 1.00 12.43 H new ATOM 0 HA THR A 71 8.861 11.295 8.816 1.00 12.02 H new ATOM 0 HB THR A 71 7.584 12.189 10.804 1.00 73.42 H new ATOM 0 HG1 THR A 71 6.142 13.396 8.725 1.00 4.41 H new ATOM 0 HG21 THR A 71 8.596 14.414 10.735 1.00 72.24 H new ATOM 0 HG22 THR A 71 9.700 13.151 10.141 1.00 72.24 H new ATOM 0 HG23 THR A 71 8.872 14.223 8.987 1.00 72.24 H new ATOM 1051 N VAL A 72 7.203 9.583 9.609 1.00 23.23 N ATOM 1052 CA VAL A 72 6.325 8.501 9.909 1.00 31.54 C ATOM 1053 C VAL A 72 6.140 8.450 11.410 1.00 3.44 C ATOM 1054 O VAL A 72 7.105 8.354 12.166 1.00 34.43 O ATOM 1055 CB VAL A 72 6.854 7.164 9.353 1.00 43.23 C ATOM 1056 CG1 VAL A 72 6.885 7.223 7.830 1.00 32.35 C ATOM 1057 CG2 VAL A 72 8.248 6.876 9.884 1.00 11.02 C ATOM 0 H VAL A 72 8.144 9.474 9.987 1.00 23.23 H new ATOM 0 HA VAL A 72 5.362 8.664 9.425 1.00 31.54 H new ATOM 0 HB VAL A 72 6.189 6.363 9.676 1.00 43.23 H new ATOM 0 HG11 VAL A 72 7.259 6.278 7.437 1.00 32.35 H new ATOM 0 HG12 VAL A 72 5.878 7.400 7.452 1.00 32.35 H new ATOM 0 HG13 VAL A 72 7.540 8.033 7.511 1.00 32.35 H new ATOM 0 HG21 VAL A 72 8.603 5.928 9.480 1.00 11.02 H new ATOM 0 HG22 VAL A 72 8.925 7.675 9.582 1.00 11.02 H new ATOM 0 HG23 VAL A 72 8.218 6.818 10.972 1.00 11.02 H new ATOM 1067 N ASN A 73 4.913 8.644 11.841 1.00 2.55 N ATOM 1068 CA ASN A 73 4.555 8.707 13.261 1.00 42.12 C ATOM 1069 C ASN A 73 5.292 9.876 13.928 1.00 42.45 C ATOM 1070 O ASN A 73 5.504 9.903 15.146 1.00 32.24 O ATOM 1071 CB ASN A 73 4.812 7.346 13.947 1.00 45.03 C ATOM 1072 CG ASN A 73 3.868 6.272 13.404 1.00 22.21 C ATOM 1073 OD1 ASN A 73 2.711 6.558 13.081 1.00 32.44 O ATOM 1074 ND2 ASN A 73 4.352 5.070 13.251 1.00 30.51 N ATOM 0 H ASN A 73 4.117 8.765 11.215 1.00 2.55 H new ATOM 0 HA ASN A 73 3.488 8.901 13.369 1.00 42.12 H new ATOM 0 HB2 ASN A 73 5.846 7.042 13.784 1.00 45.03 H new ATOM 0 HB3 ASN A 73 4.674 7.446 15.024 1.00 45.03 H new ATOM 0 HD21 ASN A 73 3.770 4.333 12.854 1.00 30.51 H new ATOM 0 HD22 ASN A 73 5.312 4.868 13.528 1.00 30.51 H new ATOM 1081 N ASN A 74 5.619 10.874 13.064 1.00 34.51 N ATOM 1082 CA ASN A 74 6.341 12.114 13.383 1.00 43.12 C ATOM 1083 C ASN A 74 7.845 11.972 13.347 1.00 41.22 C ATOM 1084 O ASN A 74 8.568 12.968 13.451 1.00 52.34 O ATOM 1085 CB ASN A 74 5.870 12.838 14.649 1.00 24.24 C ATOM 1086 CG ASN A 74 4.566 13.582 14.465 1.00 74.42 C ATOM 1087 OD1 ASN A 74 3.704 13.191 13.675 1.00 32.21 O ATOM 1088 ND2 ASN A 74 4.416 14.665 15.180 1.00 72.21 N ATOM 0 H ASN A 74 5.368 10.823 12.077 1.00 34.51 H new ATOM 0 HA ASN A 74 6.064 12.770 12.558 1.00 43.12 H new ATOM 0 HB2 ASN A 74 5.755 12.111 15.453 1.00 24.24 H new ATOM 0 HB3 ASN A 74 6.640 13.542 14.964 1.00 24.24 H new ATOM 0 HD21 ASN A 74 3.563 15.218 15.095 1.00 72.21 H new ATOM 0 HD22 ASN A 74 5.152 14.957 15.823 1.00 72.21 H new ATOM 1095 N ALA A 75 8.321 10.762 13.133 1.00 14.44 N ATOM 1096 CA ALA A 75 9.745 10.503 13.064 1.00 30.44 C ATOM 1097 C ALA A 75 10.234 10.661 11.619 1.00 33.13 C ATOM 1098 O ALA A 75 9.669 10.048 10.709 1.00 23.40 O ATOM 1099 CB ALA A 75 10.042 9.101 13.574 1.00 63.21 C ATOM 0 H ALA A 75 7.737 9.936 13.003 1.00 14.44 H new ATOM 0 HA ALA A 75 10.271 11.222 13.692 1.00 30.44 H new ATOM 0 HB1 ALA A 75 11.114 8.913 13.519 1.00 63.21 H new ATOM 0 HB2 ALA A 75 9.711 9.012 14.609 1.00 63.21 H new ATOM 0 HB3 ALA A 75 9.514 8.371 12.960 1.00 63.21 H new ATOM 1105 N PRO A 76 11.239 11.520 11.372 1.00 1.52 N ATOM 1106 CA PRO A 76 11.793 11.732 10.024 1.00 53.23 C ATOM 1107 C PRO A 76 12.556 10.514 9.529 1.00 62.34 C ATOM 1108 O PRO A 76 13.474 10.030 10.201 1.00 51.51 O ATOM 1109 CB PRO A 76 12.760 12.908 10.206 1.00 55.22 C ATOM 1110 CG PRO A 76 12.445 13.487 11.542 1.00 51.32 C ATOM 1111 CD PRO A 76 11.922 12.358 12.368 1.00 10.33 C ATOM 0 HA PRO A 76 11.009 11.917 9.290 1.00 53.23 H new ATOM 0 HB2 PRO A 76 13.796 12.573 10.159 1.00 55.22 H new ATOM 0 HB3 PRO A 76 12.628 13.649 9.417 1.00 55.22 H new ATOM 0 HG2 PRO A 76 13.334 13.924 11.997 1.00 51.32 H new ATOM 0 HG3 PRO A 76 11.706 14.284 11.457 1.00 51.32 H new ATOM 0 HD2 PRO A 76 12.725 11.818 12.870 1.00 10.33 H new ATOM 0 HD3 PRO A 76 11.238 12.705 13.143 1.00 10.33 H new ATOM 1119 N VAL A 77 12.183 10.023 8.367 1.00 41.51 N ATOM 1120 CA VAL A 77 12.809 8.847 7.804 1.00 51.12 C ATOM 1121 C VAL A 77 13.024 9.018 6.313 1.00 5.11 C ATOM 1122 O VAL A 77 12.473 9.933 5.699 1.00 75.25 O ATOM 1123 CB VAL A 77 11.965 7.555 8.025 1.00 31.12 C ATOM 1124 CG1 VAL A 77 11.854 7.188 9.500 1.00 62.41 C ATOM 1125 CG2 VAL A 77 10.584 7.705 7.394 1.00 44.22 C ATOM 0 H VAL A 77 11.443 10.424 7.790 1.00 41.51 H new ATOM 0 HA VAL A 77 13.762 8.736 8.322 1.00 51.12 H new ATOM 0 HB VAL A 77 12.487 6.735 7.532 1.00 31.12 H new ATOM 0 HG11 VAL A 77 11.258 6.282 9.606 1.00 62.41 H new ATOM 0 HG12 VAL A 77 12.850 7.016 9.908 1.00 62.41 H new ATOM 0 HG13 VAL A 77 11.375 8.003 10.043 1.00 62.41 H new ATOM 0 HG21 VAL A 77 10.008 6.794 7.558 1.00 44.22 H new ATOM 0 HG22 VAL A 77 10.066 8.549 7.849 1.00 44.22 H new ATOM 0 HG23 VAL A 77 10.690 7.880 6.323 1.00 44.22 H new ATOM 1135 N GLN A 78 13.826 8.143 5.753 1.00 70.55 N ATOM 1136 CA GLN A 78 14.066 8.102 4.323 1.00 31.11 C ATOM 1137 C GLN A 78 13.323 6.905 3.736 1.00 72.35 C ATOM 1138 O GLN A 78 13.126 6.797 2.530 1.00 62.44 O ATOM 1139 CB GLN A 78 15.576 7.994 4.041 1.00 13.15 C ATOM 1140 CG GLN A 78 16.225 6.716 4.566 1.00 70.44 C ATOM 1141 CD GLN A 78 17.728 6.732 4.459 1.00 44.23 C ATOM 1142 OE1 GLN A 78 18.426 7.169 5.374 1.00 1.32 O ATOM 1143 NE2 GLN A 78 18.244 6.254 3.378 1.00 5.42 N ATOM 0 H GLN A 78 14.336 7.433 6.278 1.00 70.55 H new ATOM 0 HA GLN A 78 13.702 9.019 3.859 1.00 31.11 H new ATOM 0 HB2 GLN A 78 15.738 8.054 2.965 1.00 13.15 H new ATOM 0 HB3 GLN A 78 16.079 8.852 4.487 1.00 13.15 H new ATOM 0 HG2 GLN A 78 15.942 6.573 5.609 1.00 70.44 H new ATOM 0 HG3 GLN A 78 15.836 5.863 4.011 1.00 70.44 H new ATOM 0 HE21 GLN A 78 17.639 5.899 2.638 1.00 5.42 H new ATOM 0 HE22 GLN A 78 19.257 6.231 3.264 1.00 5.42 H new ATOM 1152 N GLU A 79 12.897 6.020 4.618 1.00 53.22 N ATOM 1153 CA GLU A 79 12.196 4.817 4.254 1.00 70.02 C ATOM 1154 C GLU A 79 11.484 4.296 5.485 1.00 22.13 C ATOM 1155 O GLU A 79 11.897 4.610 6.606 1.00 13.23 O ATOM 1156 CB GLU A 79 13.178 3.771 3.705 1.00 3.13 C ATOM 1157 CG GLU A 79 14.241 3.323 4.700 1.00 40.32 C ATOM 1158 CD GLU A 79 15.252 2.410 4.081 1.00 15.13 C ATOM 1159 OE1 GLU A 79 14.933 1.236 3.807 1.00 22.33 O ATOM 1160 OE2 GLU A 79 16.387 2.835 3.861 1.00 70.32 O ATOM 0 H GLU A 79 13.034 6.125 5.623 1.00 53.22 H new ATOM 0 HA GLU A 79 11.469 5.026 3.469 1.00 70.02 H new ATOM 0 HB2 GLU A 79 12.614 2.898 3.377 1.00 3.13 H new ATOM 0 HB3 GLU A 79 13.672 4.181 2.824 1.00 3.13 H new ATOM 0 HG2 GLU A 79 14.747 4.199 5.106 1.00 40.32 H new ATOM 0 HG3 GLU A 79 13.761 2.815 5.537 1.00 40.32 H new ATOM 1167 N TRP A 80 10.435 3.537 5.291 1.00 55.32 N ATOM 1168 CA TRP A 80 9.656 3.003 6.390 1.00 12.31 C ATOM 1169 C TRP A 80 8.829 1.839 5.914 1.00 34.20 C ATOM 1170 O TRP A 80 8.380 1.816 4.776 1.00 50.15 O ATOM 1171 CB TRP A 80 8.749 4.105 6.993 1.00 43.22 C ATOM 1172 CG TRP A 80 7.833 3.684 8.118 1.00 0.54 C ATOM 1173 CD1 TRP A 80 6.480 3.490 8.046 1.00 71.52 C ATOM 1174 CD2 TRP A 80 8.195 3.446 9.480 1.00 1.31 C ATOM 1175 NE1 TRP A 80 5.984 3.151 9.276 1.00 33.14 N ATOM 1176 CE2 TRP A 80 7.013 3.116 10.173 1.00 74.10 C ATOM 1177 CE3 TRP A 80 9.402 3.480 10.185 1.00 64.35 C ATOM 1178 CZ2 TRP A 80 7.005 2.826 11.529 1.00 65.43 C ATOM 1179 CZ3 TRP A 80 9.388 3.190 11.530 1.00 72.05 C ATOM 1180 CH2 TRP A 80 8.195 2.869 12.188 1.00 45.31 C ATOM 0 H TRP A 80 10.093 3.269 4.368 1.00 55.32 H new ATOM 0 HA TRP A 80 10.335 2.655 7.169 1.00 12.31 H new ATOM 0 HB2 TRP A 80 9.387 4.911 7.356 1.00 43.22 H new ATOM 0 HB3 TRP A 80 8.137 4.519 6.192 1.00 43.22 H new ATOM 0 HD1 TRP A 80 5.889 3.590 7.148 1.00 71.52 H new ATOM 0 HE1 TRP A 80 5.005 2.956 9.488 1.00 33.14 H new ATOM 0 HE3 TRP A 80 10.326 3.729 9.684 1.00 64.35 H new ATOM 0 HZ2 TRP A 80 6.089 2.575 12.043 1.00 65.43 H new ATOM 0 HZ3 TRP A 80 10.313 3.210 12.087 1.00 72.05 H new ATOM 0 HH2 TRP A 80 8.219 2.650 13.245 1.00 45.31 H new ATOM 1191 N GLN A 81 8.682 0.863 6.740 1.00 34.10 N ATOM 1192 CA GLN A 81 7.803 -0.231 6.434 1.00 72.02 C ATOM 1193 C GLN A 81 6.431 0.086 7.017 1.00 64.35 C ATOM 1194 O GLN A 81 6.275 0.184 8.238 1.00 0.43 O ATOM 1195 CB GLN A 81 8.373 -1.578 6.927 1.00 13.42 C ATOM 1196 CG GLN A 81 8.687 -1.653 8.414 1.00 23.31 C ATOM 1197 CD GLN A 81 9.332 -2.960 8.798 1.00 44.43 C ATOM 1198 OE1 GLN A 81 8.652 -3.932 9.127 1.00 62.53 O ATOM 1199 NE2 GLN A 81 10.638 -3.003 8.757 1.00 62.35 N ATOM 0 H GLN A 81 9.158 0.792 7.639 1.00 34.10 H new ATOM 0 HA GLN A 81 7.707 -0.345 5.354 1.00 72.02 H new ATOM 0 HB2 GLN A 81 7.659 -2.365 6.684 1.00 13.42 H new ATOM 0 HB3 GLN A 81 9.285 -1.792 6.370 1.00 13.42 H new ATOM 0 HG2 GLN A 81 9.349 -0.830 8.685 1.00 23.31 H new ATOM 0 HG3 GLN A 81 7.767 -1.523 8.984 1.00 23.31 H new ATOM 0 HE21 GLN A 81 11.167 -2.176 8.479 1.00 62.35 H new ATOM 0 HE22 GLN A 81 11.128 -3.863 9.003 1.00 62.35 H new ATOM 1208 N LEU A 82 5.466 0.318 6.142 1.00 54.22 N ATOM 1209 CA LEU A 82 4.114 0.711 6.555 1.00 20.44 C ATOM 1210 C LEU A 82 3.477 -0.280 7.506 1.00 33.00 C ATOM 1211 O LEU A 82 3.583 -1.505 7.329 1.00 4.43 O ATOM 1212 CB LEU A 82 3.188 0.846 5.347 1.00 32.53 C ATOM 1213 CG LEU A 82 3.575 1.869 4.300 1.00 42.13 C ATOM 1214 CD1 LEU A 82 2.515 1.957 3.219 1.00 14.34 C ATOM 1215 CD2 LEU A 82 3.773 3.204 4.946 1.00 13.31 C ATOM 0 H LEU A 82 5.588 0.242 5.132 1.00 54.22 H new ATOM 0 HA LEU A 82 4.235 1.667 7.064 1.00 20.44 H new ATOM 0 HB2 LEU A 82 3.119 -0.127 4.861 1.00 32.53 H new ATOM 0 HB3 LEU A 82 2.190 1.092 5.710 1.00 32.53 H new ATOM 0 HG LEU A 82 4.509 1.557 3.834 1.00 42.13 H new ATOM 0 HD11 LEU A 82 2.813 2.698 2.477 1.00 14.34 H new ATOM 0 HD12 LEU A 82 2.405 0.985 2.738 1.00 14.34 H new ATOM 0 HD13 LEU A 82 1.565 2.251 3.664 1.00 14.34 H new ATOM 0 HD21 LEU A 82 4.051 3.937 4.189 1.00 13.31 H new ATOM 0 HD22 LEU A 82 2.847 3.515 5.429 1.00 13.31 H new ATOM 0 HD23 LEU A 82 4.565 3.134 5.691 1.00 13.31 H new ATOM 1227 N ALA A 83 2.865 0.246 8.518 1.00 60.14 N ATOM 1228 CA ALA A 83 2.089 -0.517 9.422 1.00 61.53 C ATOM 1229 C ALA A 83 0.713 0.087 9.481 1.00 4.03 C ATOM 1230 O ALA A 83 0.491 1.220 9.015 1.00 24.40 O ATOM 1231 CB ALA A 83 2.722 -0.554 10.797 1.00 0.51 C ATOM 0 H ALA A 83 2.896 1.242 8.738 1.00 60.14 H new ATOM 0 HA ALA A 83 2.031 -1.549 9.075 1.00 61.53 H new ATOM 0 HB1 ALA A 83 2.101 -1.148 11.468 1.00 0.51 H new ATOM 0 HB2 ALA A 83 3.714 -1.001 10.729 1.00 0.51 H new ATOM 0 HB3 ALA A 83 2.808 0.461 11.186 1.00 0.51 H new ATOM 1237 N ASP A 84 -0.210 -0.648 10.011 1.00 53.33 N ATOM 1238 CA ASP A 84 -1.567 -0.187 10.111 1.00 11.04 C ATOM 1239 C ASP A 84 -1.682 0.891 11.162 1.00 72.51 C ATOM 1240 O ASP A 84 -1.262 0.699 12.309 1.00 72.43 O ATOM 1241 CB ASP A 84 -2.505 -1.340 10.436 1.00 61.21 C ATOM 1242 CG ASP A 84 -3.929 -0.894 10.627 1.00 31.32 C ATOM 1243 OD1 ASP A 84 -4.598 -0.593 9.634 1.00 31.13 O ATOM 1244 OD2 ASP A 84 -4.414 -0.889 11.784 1.00 41.21 O ATOM 0 H ASP A 84 -0.051 -1.583 10.387 1.00 53.33 H new ATOM 0 HA ASP A 84 -1.856 0.232 9.147 1.00 11.04 H new ATOM 0 HB2 ASP A 84 -2.463 -2.075 9.632 1.00 61.21 H new ATOM 0 HB3 ASP A 84 -2.160 -1.839 11.342 1.00 61.21 H new ATOM 1249 N GLY A 85 -2.196 2.023 10.760 1.00 21.23 N ATOM 1250 CA GLY A 85 -2.431 3.101 11.671 1.00 32.01 C ATOM 1251 C GLY A 85 -1.276 4.079 11.745 1.00 74.52 C ATOM 1252 O GLY A 85 -1.223 4.901 12.661 1.00 61.31 O ATOM 0 H GLY A 85 -2.461 2.219 9.795 1.00 21.23 H new ATOM 0 HA2 GLY A 85 -3.332 3.634 11.369 1.00 32.01 H new ATOM 0 HA3 GLY A 85 -2.619 2.695 12.665 1.00 32.01 H new ATOM 1256 N ASP A 86 -0.342 3.998 10.810 1.00 54.14 N ATOM 1257 CA ASP A 86 0.800 4.919 10.820 1.00 21.12 C ATOM 1258 C ASP A 86 0.410 6.289 10.364 1.00 45.54 C ATOM 1259 O ASP A 86 -0.358 6.447 9.396 1.00 13.31 O ATOM 1260 CB ASP A 86 1.999 4.429 10.004 1.00 42.02 C ATOM 1261 CG ASP A 86 2.763 3.305 10.653 1.00 32.41 C ATOM 1262 OD1 ASP A 86 2.761 3.204 11.921 1.00 12.43 O ATOM 1263 OD2 ASP A 86 3.422 2.543 9.923 1.00 33.12 O ATOM 0 H ASP A 86 -0.344 3.321 10.047 1.00 54.14 H new ATOM 0 HA ASP A 86 1.116 4.958 11.862 1.00 21.12 H new ATOM 0 HB2 ASP A 86 1.649 4.100 9.026 1.00 42.02 H new ATOM 0 HB3 ASP A 86 2.677 5.266 9.835 1.00 42.02 H new ATOM 1268 N VAL A 87 0.914 7.283 11.060 1.00 45.41 N ATOM 1269 CA VAL A 87 0.637 8.656 10.713 1.00 42.15 C ATOM 1270 C VAL A 87 1.785 9.147 9.898 1.00 15.12 C ATOM 1271 O VAL A 87 2.873 9.305 10.402 1.00 23.10 O ATOM 1272 CB VAL A 87 0.514 9.552 11.974 1.00 3.22 C ATOM 1273 CG1 VAL A 87 0.048 10.956 11.610 1.00 63.51 C ATOM 1274 CG2 VAL A 87 -0.408 8.925 12.995 1.00 55.11 C ATOM 0 H VAL A 87 1.520 7.164 11.872 1.00 45.41 H new ATOM 0 HA VAL A 87 -0.307 8.704 10.171 1.00 42.15 H new ATOM 0 HB VAL A 87 1.505 9.636 12.420 1.00 3.22 H new ATOM 0 HG11 VAL A 87 -0.029 11.560 12.514 1.00 63.51 H new ATOM 0 HG12 VAL A 87 0.766 11.412 10.929 1.00 63.51 H new ATOM 0 HG13 VAL A 87 -0.927 10.902 11.126 1.00 63.51 H new ATOM 0 HG21 VAL A 87 -0.477 9.573 13.869 1.00 55.11 H new ATOM 0 HG22 VAL A 87 -1.399 8.796 12.560 1.00 55.11 H new ATOM 0 HG23 VAL A 87 -0.014 7.954 13.293 1.00 55.11 H new ATOM 1284 N ILE A 88 1.571 9.404 8.673 1.00 32.31 N ATOM 1285 CA ILE A 88 2.652 9.807 7.849 1.00 11.42 C ATOM 1286 C ILE A 88 2.472 11.250 7.456 1.00 72.42 C ATOM 1287 O ILE A 88 1.606 11.591 6.669 1.00 44.22 O ATOM 1288 CB ILE A 88 2.798 8.861 6.635 1.00 1.23 C ATOM 1289 CG1 ILE A 88 3.042 7.431 7.154 1.00 23.31 C ATOM 1290 CG2 ILE A 88 3.929 9.305 5.722 1.00 2.24 C ATOM 1291 CD1 ILE A 88 3.296 6.408 6.086 1.00 71.42 C ATOM 0 H ILE A 88 0.664 9.346 8.210 1.00 32.31 H new ATOM 0 HA ILE A 88 3.588 9.734 8.402 1.00 11.42 H new ATOM 0 HB ILE A 88 1.882 8.888 6.044 1.00 1.23 H new ATOM 0 HG12 ILE A 88 3.895 7.447 7.833 1.00 23.31 H new ATOM 0 HG13 ILE A 88 2.176 7.119 7.738 1.00 23.31 H new ATOM 0 HG21 ILE A 88 4.006 8.619 4.878 1.00 2.24 H new ATOM 0 HG22 ILE A 88 3.727 10.311 5.355 1.00 2.24 H new ATOM 0 HG23 ILE A 88 4.867 9.303 6.277 1.00 2.24 H new ATOM 0 HD11 ILE A 88 3.456 5.433 6.547 1.00 71.42 H new ATOM 0 HD12 ILE A 88 2.435 6.357 5.419 1.00 71.42 H new ATOM 0 HD13 ILE A 88 4.181 6.690 5.515 1.00 71.42 H new ATOM 1303 N ARG A 89 3.265 12.097 8.045 1.00 1.23 N ATOM 1304 CA ARG A 89 3.148 13.506 7.832 1.00 73.32 C ATOM 1305 C ARG A 89 4.243 13.971 6.925 1.00 72.41 C ATOM 1306 O ARG A 89 5.412 13.635 7.119 1.00 73.51 O ATOM 1307 CB ARG A 89 3.151 14.273 9.159 1.00 3.31 C ATOM 1308 CG ARG A 89 1.991 13.894 10.069 1.00 1.01 C ATOM 1309 CD ARG A 89 1.938 14.733 11.334 1.00 33.34 C ATOM 1310 NE ARG A 89 1.774 16.166 11.049 1.00 73.34 N ATOM 1311 CZ ARG A 89 1.044 17.027 11.780 1.00 14.04 C ATOM 1312 NH1 ARG A 89 0.213 16.581 12.730 1.00 23.32 N ATOM 1313 NH2 ARG A 89 1.097 18.328 11.506 1.00 41.55 N ATOM 0 H ARG A 89 4.011 11.828 8.687 1.00 1.23 H new ATOM 0 HA ARG A 89 2.191 13.710 7.353 1.00 73.32 H new ATOM 0 HB2 ARG A 89 4.090 14.084 9.679 1.00 3.31 H new ATOM 0 HB3 ARG A 89 3.110 15.343 8.954 1.00 3.31 H new ATOM 0 HG2 ARG A 89 1.054 14.008 9.523 1.00 1.01 H new ATOM 0 HG3 ARG A 89 2.076 12.842 10.340 1.00 1.01 H new ATOM 0 HD2 ARG A 89 1.112 14.393 11.958 1.00 33.34 H new ATOM 0 HD3 ARG A 89 2.853 14.581 11.906 1.00 33.34 H new ATOM 0 HE ARG A 89 2.254 16.538 10.229 1.00 73.34 H new ATOM 0 HH11 ARG A 89 0.129 15.580 12.905 1.00 23.32 H new ATOM 0 HH12 ARG A 89 -0.336 17.243 13.279 1.00 23.32 H new ATOM 0 HH21 ARG A 89 1.688 18.666 10.746 1.00 41.55 H new ATOM 0 HH22 ARG A 89 0.546 18.988 12.056 1.00 41.55 H new ATOM 1327 N LEU A 90 3.871 14.718 5.956 1.00 3.41 N ATOM 1328 CA LEU A 90 4.764 15.196 4.941 1.00 74.24 C ATOM 1329 C LEU A 90 4.662 16.682 4.886 1.00 23.13 C ATOM 1330 O LEU A 90 3.766 17.256 5.520 1.00 14.22 O ATOM 1331 CB LEU A 90 4.466 14.591 3.543 1.00 61.21 C ATOM 1332 CG LEU A 90 3.052 14.782 2.955 1.00 15.04 C ATOM 1333 CD1 LEU A 90 3.095 14.570 1.458 1.00 40.35 C ATOM 1334 CD2 LEU A 90 2.071 13.779 3.555 1.00 74.03 C ATOM 0 H LEU A 90 2.908 15.031 5.832 1.00 3.41 H new ATOM 0 HA LEU A 90 5.774 14.883 5.204 1.00 74.24 H new ATOM 0 HB2 LEU A 90 5.181 15.014 2.837 1.00 61.21 H new ATOM 0 HB3 LEU A 90 4.664 13.520 3.594 1.00 61.21 H new ATOM 0 HG LEU A 90 2.721 15.793 3.192 1.00 15.04 H new ATOM 0 HD11 LEU A 90 2.096 14.705 1.043 1.00 40.35 H new ATOM 0 HD12 LEU A 90 3.776 15.292 1.008 1.00 40.35 H new ATOM 0 HD13 LEU A 90 3.444 13.560 1.243 1.00 40.35 H new ATOM 0 HD21 LEU A 90 1.082 13.935 3.124 1.00 74.03 H new ATOM 0 HD22 LEU A 90 2.407 12.766 3.335 1.00 74.03 H new ATOM 0 HD23 LEU A 90 2.022 13.919 4.635 1.00 74.03 H new ATOM 1346 N GLY A 91 5.614 17.318 4.250 1.00 1.23 N ATOM 1347 CA GLY A 91 5.519 18.737 4.048 1.00 75.33 C ATOM 1348 C GLY A 91 4.178 19.099 3.440 1.00 40.44 C ATOM 1349 O GLY A 91 3.761 18.481 2.454 1.00 10.04 O ATOM 0 H GLY A 91 6.453 16.880 3.869 1.00 1.23 H new ATOM 0 HA2 GLY A 91 5.645 19.255 4.999 1.00 75.33 H new ATOM 0 HA3 GLY A 91 6.324 19.072 3.393 1.00 75.33 H new ATOM 1353 N HIS A 92 3.473 20.020 4.104 1.00 41.45 N ATOM 1354 CA HIS A 92 2.164 20.552 3.674 1.00 55.52 C ATOM 1355 C HIS A 92 0.943 19.686 4.058 1.00 44.55 C ATOM 1356 O HIS A 92 -0.165 20.218 4.156 1.00 14.34 O ATOM 1357 CB HIS A 92 2.107 20.881 2.165 1.00 11.52 C ATOM 1358 CG HIS A 92 3.029 21.968 1.683 1.00 62.24 C ATOM 1359 ND1 HIS A 92 3.045 22.408 0.390 1.00 44.43 N ATOM 1360 CD2 HIS A 92 3.963 22.701 2.336 1.00 32.51 C ATOM 1361 CE1 HIS A 92 3.946 23.365 0.274 1.00 4.54 C ATOM 1362 NE2 HIS A 92 4.547 23.595 1.438 1.00 44.32 N ATOM 0 H HIS A 92 3.800 20.431 4.979 1.00 41.45 H new ATOM 0 HA HIS A 92 2.086 21.477 4.245 1.00 55.52 H new ATOM 0 HB2 HIS A 92 2.331 19.971 1.608 1.00 11.52 H new ATOM 0 HB3 HIS A 92 1.085 21.164 1.915 1.00 11.52 H new ATOM 0 HD1 HIS A 92 2.456 22.054 -0.364 1.00 44.43 H new ATOM 0 HD2 HIS A 92 4.215 22.608 3.382 1.00 32.51 H new ATOM 0 HE1 HIS A 92 4.166 23.891 -0.643 1.00 4.54 H new ATOM 1370 N SER A 93 1.104 18.390 4.286 1.00 34.44 N ATOM 1371 CA SER A 93 -0.075 17.555 4.527 1.00 14.03 C ATOM 1372 C SER A 93 0.260 16.313 5.393 1.00 20.23 C ATOM 1373 O SER A 93 1.355 16.198 5.942 1.00 74.22 O ATOM 1374 CB SER A 93 -0.666 17.132 3.154 1.00 13.42 C ATOM 1375 OG SER A 93 -1.944 16.526 3.280 1.00 41.44 O ATOM 0 H SER A 93 2.000 17.904 4.310 1.00 34.44 H new ATOM 0 HA SER A 93 -0.810 18.132 5.089 1.00 14.03 H new ATOM 0 HB2 SER A 93 -0.744 18.008 2.509 1.00 13.42 H new ATOM 0 HB3 SER A 93 0.017 16.436 2.666 1.00 13.42 H new ATOM 0 HG SER A 93 -2.277 16.278 2.392 1.00 41.44 H new ATOM 1381 N GLU A 94 -0.692 15.415 5.525 1.00 71.31 N ATOM 1382 CA GLU A 94 -0.519 14.171 6.241 1.00 43.43 C ATOM 1383 C GLU A 94 -1.372 13.106 5.590 1.00 41.44 C ATOM 1384 O GLU A 94 -2.444 13.403 5.045 1.00 74.41 O ATOM 1385 CB GLU A 94 -0.872 14.293 7.732 1.00 71.22 C ATOM 1386 CG GLU A 94 -2.305 14.698 8.021 1.00 53.43 C ATOM 1387 CD GLU A 94 -2.611 14.699 9.491 1.00 2.45 C ATOM 1388 OE1 GLU A 94 -1.968 15.450 10.238 1.00 52.23 O ATOM 1389 OE2 GLU A 94 -3.497 13.923 9.933 1.00 63.11 O ATOM 0 H GLU A 94 -1.625 15.532 5.130 1.00 71.31 H new ATOM 0 HA GLU A 94 0.535 13.899 6.190 1.00 43.43 H new ATOM 0 HB2 GLU A 94 -0.676 13.336 8.216 1.00 71.22 H new ATOM 0 HB3 GLU A 94 -0.205 15.024 8.189 1.00 71.22 H new ATOM 0 HG2 GLU A 94 -2.489 15.692 7.613 1.00 53.43 H new ATOM 0 HG3 GLU A 94 -2.983 14.014 7.511 1.00 53.43 H new ATOM 1396 N ILE A 95 -0.912 11.902 5.625 1.00 2.44 N ATOM 1397 CA ILE A 95 -1.622 10.812 5.056 1.00 74.31 C ATOM 1398 C ILE A 95 -1.685 9.685 6.105 1.00 15.35 C ATOM 1399 O ILE A 95 -0.702 9.430 6.826 1.00 13.24 O ATOM 1400 CB ILE A 95 -0.948 10.341 3.714 1.00 12.42 C ATOM 1401 CG1 ILE A 95 -1.856 9.410 2.921 1.00 71.53 C ATOM 1402 CG2 ILE A 95 0.417 9.700 3.933 1.00 41.12 C ATOM 1403 CD1 ILE A 95 -3.079 10.101 2.356 1.00 14.22 C ATOM 0 H ILE A 95 -0.023 11.646 6.054 1.00 2.44 H new ATOM 0 HA ILE A 95 -2.637 11.113 4.794 1.00 74.31 H new ATOM 0 HB ILE A 95 -0.789 11.245 3.127 1.00 12.42 H new ATOM 0 HG12 ILE A 95 -1.287 8.969 2.103 1.00 71.53 H new ATOM 0 HG13 ILE A 95 -2.176 8.591 3.565 1.00 71.53 H new ATOM 0 HG21 ILE A 95 0.834 9.395 2.973 1.00 41.12 H new ATOM 0 HG22 ILE A 95 1.085 10.419 4.407 1.00 41.12 H new ATOM 0 HG23 ILE A 95 0.310 8.827 4.576 1.00 41.12 H new ATOM 0 HD11 ILE A 95 -3.681 9.380 1.803 1.00 14.22 H new ATOM 0 HD12 ILE A 95 -3.670 10.519 3.171 1.00 14.22 H new ATOM 0 HD13 ILE A 95 -2.767 10.903 1.686 1.00 14.22 H new ATOM 1415 N ILE A 96 -2.833 9.090 6.255 1.00 3.33 N ATOM 1416 CA ILE A 96 -3.013 8.032 7.227 1.00 42.54 C ATOM 1417 C ILE A 96 -2.968 6.699 6.508 1.00 22.32 C ATOM 1418 O ILE A 96 -3.605 6.535 5.464 1.00 35.20 O ATOM 1419 CB ILE A 96 -4.374 8.180 7.958 1.00 22.44 C ATOM 1420 CG1 ILE A 96 -4.513 9.602 8.532 1.00 72.12 C ATOM 1421 CG2 ILE A 96 -4.504 7.134 9.075 1.00 23.22 C ATOM 1422 CD1 ILE A 96 -5.874 9.903 9.118 1.00 55.51 C ATOM 0 H ILE A 96 -3.669 9.316 5.716 1.00 3.33 H new ATOM 0 HA ILE A 96 -2.217 8.091 7.970 1.00 42.54 H new ATOM 0 HB ILE A 96 -5.176 8.012 7.239 1.00 22.44 H new ATOM 0 HG12 ILE A 96 -3.757 9.746 9.304 1.00 72.12 H new ATOM 0 HG13 ILE A 96 -4.302 10.323 7.742 1.00 72.12 H new ATOM 0 HG21 ILE A 96 -5.465 7.254 9.576 1.00 23.22 H new ATOM 0 HG22 ILE A 96 -4.441 6.134 8.646 1.00 23.22 H new ATOM 0 HG23 ILE A 96 -3.699 7.271 9.797 1.00 23.22 H new ATOM 0 HD11 ILE A 96 -5.888 10.924 9.500 1.00 55.51 H new ATOM 0 HD12 ILE A 96 -6.635 9.794 8.345 1.00 55.51 H new ATOM 0 HD13 ILE A 96 -6.082 9.208 9.932 1.00 55.51 H new ATOM 1434 N VAL A 97 -2.203 5.775 7.030 1.00 41.10 N ATOM 1435 CA VAL A 97 -2.081 4.465 6.439 1.00 63.31 C ATOM 1436 C VAL A 97 -2.936 3.460 7.164 1.00 51.23 C ATOM 1437 O VAL A 97 -2.733 3.177 8.344 1.00 13.31 O ATOM 1438 CB VAL A 97 -0.608 3.996 6.386 1.00 72.42 C ATOM 1439 CG1 VAL A 97 -0.502 2.558 5.920 1.00 30.43 C ATOM 1440 CG2 VAL A 97 0.177 4.887 5.460 1.00 5.33 C ATOM 0 H VAL A 97 -1.648 5.908 7.875 1.00 41.10 H new ATOM 0 HA VAL A 97 -2.440 4.540 5.413 1.00 63.31 H new ATOM 0 HB VAL A 97 -0.198 4.057 7.394 1.00 72.42 H new ATOM 0 HG11 VAL A 97 0.546 2.260 5.894 1.00 30.43 H new ATOM 0 HG12 VAL A 97 -1.046 1.911 6.608 1.00 30.43 H new ATOM 0 HG13 VAL A 97 -0.930 2.467 4.922 1.00 30.43 H new ATOM 0 HG21 VAL A 97 1.214 4.553 5.426 1.00 5.33 H new ATOM 0 HG22 VAL A 97 -0.252 4.840 4.459 1.00 5.33 H new ATOM 0 HG23 VAL A 97 0.139 5.914 5.824 1.00 5.33 H new ATOM 1450 N ARG A 98 -3.887 2.935 6.464 1.00 42.15 N ATOM 1451 CA ARG A 98 -4.763 1.954 7.002 1.00 44.01 C ATOM 1452 C ARG A 98 -4.534 0.671 6.232 1.00 61.11 C ATOM 1453 O ARG A 98 -4.593 0.674 5.014 1.00 70.22 O ATOM 1454 CB ARG A 98 -6.206 2.421 6.822 1.00 54.54 C ATOM 1455 CG ARG A 98 -7.075 2.265 8.048 1.00 51.11 C ATOM 1456 CD ARG A 98 -7.106 0.835 8.542 1.00 55.01 C ATOM 1457 NE ARG A 98 -8.107 0.615 9.586 1.00 25.22 N ATOM 1458 CZ ARG A 98 -8.150 -0.454 10.389 1.00 23.11 C ATOM 1459 NH1 ARG A 98 -7.117 -1.289 10.446 1.00 32.44 N ATOM 1460 NH2 ARG A 98 -9.194 -0.634 11.187 1.00 53.52 N ATOM 0 H ARG A 98 -4.078 3.179 5.492 1.00 42.15 H new ATOM 0 HA ARG A 98 -4.576 1.797 8.064 1.00 44.01 H new ATOM 0 HB2 ARG A 98 -6.200 3.471 6.528 1.00 54.54 H new ATOM 0 HB3 ARG A 98 -6.655 1.862 6.001 1.00 54.54 H new ATOM 0 HG2 ARG A 98 -6.704 2.915 8.841 1.00 51.11 H new ATOM 0 HG3 ARG A 98 -8.089 2.591 7.818 1.00 51.11 H new ATOM 0 HD2 ARG A 98 -7.311 0.170 7.703 1.00 55.01 H new ATOM 0 HD3 ARG A 98 -6.122 0.567 8.927 1.00 55.01 H new ATOM 0 HE ARG A 98 -8.825 1.329 9.711 1.00 25.22 H new ATOM 0 HH11 ARG A 98 -6.289 -1.115 9.877 1.00 32.44 H new ATOM 0 HH12 ARG A 98 -7.153 -2.103 11.059 1.00 32.44 H new ATOM 0 HH21 ARG A 98 -9.959 0.041 11.186 1.00 53.52 H new ATOM 0 HH22 ARG A 98 -9.232 -1.447 11.801 1.00 53.52 H new ATOM 1474 N MET A 99 -4.252 -0.408 6.907 1.00 33.34 N ATOM 1475 CA MET A 99 -4.025 -1.641 6.199 1.00 1.30 C ATOM 1476 C MET A 99 -5.114 -2.618 6.487 1.00 5.40 C ATOM 1477 O MET A 99 -5.255 -3.116 7.615 1.00 43.23 O ATOM 1478 CB MET A 99 -2.657 -2.270 6.471 1.00 24.34 C ATOM 1479 CG MET A 99 -1.481 -1.381 6.122 1.00 41.00 C ATOM 1480 SD MET A 99 0.072 -2.294 5.954 1.00 13.51 S ATOM 1481 CE MET A 99 0.195 -3.111 7.542 1.00 0.23 C ATOM 0 H MET A 99 -4.174 -0.463 7.923 1.00 33.34 H new ATOM 0 HA MET A 99 -4.032 -1.383 5.140 1.00 1.30 H new ATOM 0 HB2 MET A 99 -2.596 -2.536 7.526 1.00 24.34 H new ATOM 0 HB3 MET A 99 -2.577 -3.197 5.904 1.00 24.34 H new ATOM 0 HG2 MET A 99 -1.692 -0.859 5.189 1.00 41.00 H new ATOM 0 HG3 MET A 99 -1.367 -0.620 6.894 1.00 41.00 H new ATOM 0 HE1 MET A 99 1.244 -3.199 7.826 1.00 0.23 H new ATOM 0 HE2 MET A 99 -0.336 -2.527 8.294 1.00 0.23 H new ATOM 0 HE3 MET A 99 -0.247 -4.105 7.475 1.00 0.23 H new ATOM 1491 N HIS A 100 -5.883 -2.883 5.494 1.00 62.04 N ATOM 1492 CA HIS A 100 -6.967 -3.806 5.598 1.00 43.25 C ATOM 1493 C HIS A 100 -6.475 -5.154 5.147 1.00 1.21 C ATOM 1494 O HIS A 100 -5.964 -5.937 6.000 1.00 11.33 O ATOM 1495 CB HIS A 100 -8.177 -3.341 4.752 1.00 43.32 C ATOM 1496 CG HIS A 100 -8.847 -2.090 5.269 1.00 10.31 C ATOM 1497 ND1 HIS A 100 -10.170 -2.028 5.654 1.00 14.21 N ATOM 1498 CD2 HIS A 100 -8.350 -0.840 5.459 1.00 42.15 C ATOM 1499 CE1 HIS A 100 -10.429 -0.786 6.061 1.00 60.40 C ATOM 1500 NE2 HIS A 100 -9.354 -0.019 5.963 1.00 71.12 N ATOM 1501 OXT HIS A 100 -6.526 -5.418 3.945 1.00 36.36 O ATOM 0 H HIS A 100 -5.780 -2.462 4.571 1.00 62.04 H new ATOM 0 HA HIS A 100 -7.310 -3.863 6.631 1.00 43.25 H new ATOM 0 HB2 HIS A 100 -7.845 -3.166 3.729 1.00 43.32 H new ATOM 0 HB3 HIS A 100 -8.912 -4.145 4.716 1.00 43.32 H new ATOM 0 HD2 HIS A 100 -7.336 -0.532 5.252 1.00 42.15 H new ATOM 0 HE1 HIS A 100 -11.389 -0.449 6.423 1.00 60.40 H new ATOM 0 HE2 HIS A 100 -9.278 0.969 6.206 1.00 71.12 H new