USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=11 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 56 MET CE :methyl 141:sc= -0.751 (180deg=-2.47) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 HIS : no HD1:sc= 0.248 K(o=1.6,f=-0.68) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 169:sc= 1.33 (180deg=1.17) USER MOD Set 3.1: A 37 GLN : amide:sc= 0.611 X(o=0.46,f=0.4) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.153 X(o=0.46,f=0.4) USER MOD Single : A 21 TYR OH : rot -103:sc= -0.318 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 23 GLN : amide:sc= 0.00453 K(o=0.0045,f=-4!) USER MOD Single : A 30 GLN : amide:sc= -0.967 K(o=-0.97,f=-1.7) USER MOD Single : A 33 ASN : amide:sc= -0.0901 X(o=-0.09,f=-0.0086) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 40 HIS : no HE2:sc= 0.87 K(o=0.87,f=-4.4!) USER MOD Single : A 43 SER OG : rot 55:sc= 1.03 USER MOD Single : A 44 ASN : amide:sc= 0.757 K(o=0.76,f=-11!) USER MOD Single : A 47 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= 0.819 K(o=0.82,f=-0.52) USER MOD Single : A 67 TYR OH : rot 65:sc= 1.3 USER MOD Single : A 70 THR OG1 : rot 98:sc= 0.943 USER MOD Single : A 79 THR OG1 : rot 151:sc= 0.212 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 169:sc= -0.0352 (180deg=-0.257) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.012 1.960 -4.267 1.00 41.32 N ATOM 69 CA ALA A 18 8.655 0.676 -3.914 1.00 40.44 C ATOM 70 C ALA A 18 8.134 -0.485 -4.746 1.00 11.31 C ATOM 71 O ALA A 18 8.621 -1.591 -4.633 1.00 14.33 O ATOM 72 CB ALA A 18 8.580 0.390 -2.440 1.00 13.53 C ATOM 0 HA ALA A 18 9.711 0.785 -4.162 1.00 40.44 H new ATOM 0 HB1 ALA A 18 9.065 -0.563 -2.229 1.00 13.53 H new ATOM 0 HB2 ALA A 18 9.085 1.184 -1.889 1.00 13.53 H new ATOM 0 HB3 ALA A 18 7.536 0.342 -2.131 1.00 13.53 H new ATOM 78 N ALA A 19 7.032 -0.263 -5.460 1.00 60.52 N ATOM 79 CA ALA A 19 6.569 -1.169 -6.495 1.00 1.44 C ATOM 80 C ALA A 19 7.740 -1.507 -7.461 1.00 51.23 C ATOM 81 O ALA A 19 7.702 -2.548 -8.126 1.00 63.43 O ATOM 82 CB ALA A 19 5.410 -0.550 -7.259 1.00 64.31 C ATOM 0 H ALA A 19 6.437 0.555 -5.332 1.00 60.52 H new ATOM 0 HA ALA A 19 6.219 -2.091 -6.030 1.00 1.44 H new ATOM 0 HB1 ALA A 19 5.073 -1.241 -8.032 1.00 64.31 H new ATOM 0 HB2 ALA A 19 4.589 -0.346 -6.572 1.00 64.31 H new ATOM 0 HB3 ALA A 19 5.736 0.382 -7.722 1.00 64.31 H new ATOM 88 N ASP A 20 8.792 -0.608 -7.502 1.00 40.11 N ATOM 89 CA ASP A 20 10.086 -0.883 -8.211 1.00 62.02 C ATOM 90 C ASP A 20 10.514 -2.304 -7.914 1.00 1.33 C ATOM 91 O ASP A 20 10.789 -3.098 -8.801 1.00 10.31 O ATOM 92 CB ASP A 20 11.270 -0.030 -7.665 1.00 60.14 C ATOM 93 CG ASP A 20 11.301 1.433 -8.008 1.00 71.35 C ATOM 94 OD1 ASP A 20 11.782 1.779 -9.105 1.00 51.44 O ATOM 95 OD2 ASP A 20 10.955 2.238 -7.137 1.00 20.12 O ATOM 0 H ASP A 20 8.760 0.307 -7.052 1.00 40.11 H new ATOM 0 HA ASP A 20 9.900 -0.668 -9.263 1.00 62.02 H new ATOM 0 HB2 ASP A 20 11.273 -0.119 -6.579 1.00 60.14 H new ATOM 0 HB3 ASP A 20 12.197 -0.477 -8.024 1.00 60.14 H new ATOM 100 N TYR A 21 10.500 -2.611 -6.624 1.00 44.22 N ATOM 101 CA TYR A 21 10.940 -3.869 -6.052 1.00 62.25 C ATOM 102 C TYR A 21 10.256 -5.067 -6.652 1.00 65.44 C ATOM 103 O TYR A 21 10.856 -6.126 -6.781 1.00 13.43 O ATOM 104 CB TYR A 21 10.685 -3.846 -4.573 1.00 52.13 C ATOM 105 CG TYR A 21 11.892 -4.227 -3.881 1.00 13.04 C ATOM 106 CD1 TYR A 21 12.247 -5.534 -3.816 1.00 62.13 C ATOM 107 CD2 TYR A 21 12.733 -3.278 -3.367 1.00 14.51 C ATOM 108 CE1 TYR A 21 13.393 -5.911 -3.246 1.00 54.41 C ATOM 109 CE2 TYR A 21 13.905 -3.638 -2.801 1.00 33.23 C ATOM 110 CZ TYR A 21 14.232 -4.952 -2.736 1.00 11.34 C ATOM 111 OH TYR A 21 15.401 -5.305 -2.198 1.00 51.05 O ATOM 0 H TYR A 21 10.165 -1.956 -5.917 1.00 44.22 H new ATOM 0 HA TYR A 21 12.003 -3.968 -6.272 1.00 62.25 H new ATOM 0 HB2 TYR A 21 10.371 -2.850 -4.261 1.00 52.13 H new ATOM 0 HB3 TYR A 21 9.875 -4.530 -4.320 1.00 52.13 H new ATOM 0 HD1 TYR A 21 11.590 -6.283 -4.233 1.00 62.13 H new ATOM 0 HD2 TYR A 21 12.458 -2.235 -3.414 1.00 14.51 H new ATOM 0 HE1 TYR A 21 13.657 -6.957 -3.187 1.00 54.41 H new ATOM 0 HE2 TYR A 21 14.574 -2.888 -2.405 1.00 33.23 H new ATOM 0 HH TYR A 21 15.336 -5.267 -1.221 1.00 51.05 H new ATOM 121 N GLN A 22 9.034 -4.902 -7.040 1.00 70.14 N ATOM 122 CA GLN A 22 8.281 -5.999 -7.618 1.00 40.10 C ATOM 123 C GLN A 22 8.788 -6.332 -9.024 1.00 23.21 C ATOM 124 O GLN A 22 8.880 -7.493 -9.399 1.00 65.42 O ATOM 125 CB GLN A 22 6.789 -5.696 -7.568 1.00 73.44 C ATOM 126 CG GLN A 22 6.271 -5.659 -6.133 1.00 72.44 C ATOM 127 CD GLN A 22 4.851 -5.165 -5.997 1.00 11.40 C ATOM 128 OE1 GLN A 22 4.391 -4.341 -6.759 1.00 5.53 O ATOM 129 NE2 GLN A 22 4.156 -5.653 -5.001 1.00 54.41 N ATOM 0 H GLN A 22 8.523 -4.022 -6.973 1.00 70.14 H new ATOM 0 HA GLN A 22 8.439 -6.899 -7.024 1.00 40.10 H new ATOM 0 HB2 GLN A 22 6.595 -4.738 -8.050 1.00 73.44 H new ATOM 0 HB3 GLN A 22 6.244 -6.453 -8.133 1.00 73.44 H new ATOM 0 HG2 GLN A 22 6.337 -6.661 -5.710 1.00 72.44 H new ATOM 0 HG3 GLN A 22 6.924 -5.019 -5.540 1.00 72.44 H new ATOM 0 HE21 GLN A 22 4.573 -6.345 -4.379 1.00 54.41 H new ATOM 0 HE22 GLN A 22 3.197 -5.341 -4.847 1.00 54.41 H new ATOM 138 N GLN A 23 9.194 -5.306 -9.747 1.00 74.22 N ATOM 139 CA GLN A 23 9.766 -5.458 -11.085 1.00 11.54 C ATOM 140 C GLN A 23 11.245 -5.836 -10.975 1.00 32.00 C ATOM 141 O GLN A 23 11.821 -6.454 -11.863 1.00 31.34 O ATOM 142 CB GLN A 23 9.586 -4.148 -11.859 1.00 32.03 C ATOM 143 CG GLN A 23 8.127 -3.824 -12.155 1.00 34.41 C ATOM 144 CD GLN A 23 7.552 -4.742 -13.214 1.00 11.44 C ATOM 145 OE1 GLN A 23 7.584 -4.415 -14.407 1.00 15.33 O ATOM 146 NE2 GLN A 23 7.083 -5.898 -12.813 1.00 64.21 N ATOM 0 H GLN A 23 9.139 -4.338 -9.429 1.00 74.22 H new ATOM 0 HA GLN A 23 9.253 -6.255 -11.624 1.00 11.54 H new ATOM 0 HB2 GLN A 23 10.024 -3.331 -11.286 1.00 32.03 H new ATOM 0 HB3 GLN A 23 10.136 -4.209 -12.798 1.00 32.03 H new ATOM 0 HG2 GLN A 23 7.542 -3.913 -11.240 1.00 34.41 H new ATOM 0 HG3 GLN A 23 8.044 -2.789 -12.487 1.00 34.41 H new ATOM 0 HE21 GLN A 23 7.075 -6.128 -11.819 1.00 64.21 H new ATOM 0 HE22 GLN A 23 6.726 -6.568 -13.495 1.00 64.21 H new ATOM 155 N LEU A 24 11.834 -5.438 -9.869 1.00 33.14 N ATOM 156 CA LEU A 24 13.209 -5.745 -9.530 1.00 61.51 C ATOM 157 C LEU A 24 13.316 -7.253 -9.265 1.00 10.25 C ATOM 158 O LEU A 24 13.976 -7.961 -10.015 1.00 73.42 O ATOM 159 CB LEU A 24 13.584 -4.898 -8.280 1.00 74.52 C ATOM 160 CG LEU A 24 15.056 -4.805 -7.809 1.00 11.41 C ATOM 161 CD1 LEU A 24 15.156 -3.765 -6.719 1.00 51.20 C ATOM 162 CD2 LEU A 24 15.568 -6.118 -7.258 1.00 64.41 C ATOM 0 H LEU A 24 11.359 -4.877 -9.161 1.00 33.14 H new ATOM 0 HA LEU A 24 13.901 -5.500 -10.335 1.00 61.51 H new ATOM 0 HB2 LEU A 24 13.240 -3.880 -8.465 1.00 74.52 H new ATOM 0 HB3 LEU A 24 13.002 -5.284 -7.443 1.00 74.52 H new ATOM 0 HG LEU A 24 15.661 -4.540 -8.676 1.00 11.41 H new ATOM 0 HD11 LEU A 24 16.189 -3.692 -6.380 1.00 51.20 H new ATOM 0 HD12 LEU A 24 14.832 -2.799 -7.107 1.00 51.20 H new ATOM 0 HD13 LEU A 24 14.519 -4.052 -5.882 1.00 51.20 H new ATOM 0 HD21 LEU A 24 16.604 -6.000 -6.941 1.00 64.41 H new ATOM 0 HD22 LEU A 24 14.959 -6.416 -6.404 1.00 64.41 H new ATOM 0 HD23 LEU A 24 15.510 -6.884 -8.031 1.00 64.41 H new ATOM 174 N ARG A 25 12.592 -7.730 -8.234 1.00 64.44 N ATOM 175 CA ARG A 25 12.591 -9.153 -7.808 1.00 2.35 C ATOM 176 C ARG A 25 12.364 -10.099 -8.975 1.00 3.12 C ATOM 177 O ARG A 25 13.072 -11.098 -9.120 1.00 13.04 O ATOM 178 CB ARG A 25 11.516 -9.394 -6.733 1.00 1.15 C ATOM 179 CG ARG A 25 11.901 -8.916 -5.347 1.00 63.24 C ATOM 180 CD ARG A 25 10.726 -8.978 -4.378 1.00 24.42 C ATOM 181 NE ARG A 25 11.104 -8.813 -2.964 1.00 15.33 N ATOM 182 CZ ARG A 25 10.482 -8.011 -2.076 1.00 43.14 C ATOM 183 NH1 ARG A 25 9.515 -7.175 -2.478 1.00 5.41 N ATOM 184 NH2 ARG A 25 10.832 -8.039 -0.799 1.00 54.33 N ATOM 0 H ARG A 25 11.985 -7.139 -7.666 1.00 64.44 H new ATOM 0 HA ARG A 25 13.577 -9.361 -7.393 1.00 2.35 H new ATOM 0 HB2 ARG A 25 10.597 -8.891 -7.036 1.00 1.15 H new ATOM 0 HB3 ARG A 25 11.296 -10.461 -6.689 1.00 1.15 H new ATOM 0 HG2 ARG A 25 12.719 -9.528 -4.966 1.00 63.24 H new ATOM 0 HG3 ARG A 25 12.270 -7.892 -5.405 1.00 63.24 H new ATOM 0 HD2 ARG A 25 10.008 -8.202 -4.644 1.00 24.42 H new ATOM 0 HD3 ARG A 25 10.220 -9.936 -4.498 1.00 24.42 H new ATOM 0 HE ARG A 25 11.903 -9.350 -2.628 1.00 15.33 H new ATOM 0 HH11 ARG A 25 9.245 -7.142 -3.461 1.00 5.41 H new ATOM 0 HH12 ARG A 25 9.049 -6.571 -1.801 1.00 5.41 H new ATOM 0 HH21 ARG A 25 11.572 -8.667 -0.487 1.00 54.33 H new ATOM 0 HH22 ARG A 25 10.361 -7.432 -0.128 1.00 54.33 H new ATOM 198 N GLU A 26 11.403 -9.742 -9.809 1.00 14.14 N ATOM 199 CA GLU A 26 11.014 -10.488 -10.988 1.00 0.11 C ATOM 200 C GLU A 26 12.226 -10.793 -11.877 1.00 5.23 C ATOM 201 O GLU A 26 12.428 -11.923 -12.318 1.00 23.42 O ATOM 202 CB GLU A 26 10.042 -9.615 -11.797 1.00 32.23 C ATOM 203 CG GLU A 26 9.505 -10.269 -13.048 1.00 4.41 C ATOM 204 CD GLU A 26 9.001 -9.264 -14.086 1.00 31.43 C ATOM 205 OE1 GLU A 26 8.005 -8.565 -13.839 1.00 32.13 O ATOM 206 OE2 GLU A 26 9.649 -9.133 -15.162 1.00 32.11 O ATOM 0 H GLU A 26 10.853 -8.893 -9.677 1.00 14.14 H new ATOM 0 HA GLU A 26 10.560 -11.429 -10.677 1.00 0.11 H new ATOM 0 HB2 GLU A 26 9.203 -9.339 -11.158 1.00 32.23 H new ATOM 0 HB3 GLU A 26 10.549 -8.691 -12.074 1.00 32.23 H new ATOM 0 HG2 GLU A 26 10.288 -10.881 -13.495 1.00 4.41 H new ATOM 0 HG3 GLU A 26 8.691 -10.941 -12.778 1.00 4.41 H new ATOM 213 N ARG A 27 13.046 -9.796 -12.075 1.00 53.33 N ATOM 214 CA ARG A 27 14.089 -9.870 -13.046 1.00 63.12 C ATOM 215 C ARG A 27 15.339 -10.549 -12.592 1.00 50.33 C ATOM 216 O ARG A 27 16.102 -11.040 -13.409 1.00 2.34 O ATOM 217 CB ARG A 27 14.235 -8.557 -13.746 1.00 73.33 C ATOM 218 CG ARG A 27 12.919 -8.357 -14.426 1.00 3.22 C ATOM 219 CD ARG A 27 12.683 -7.063 -15.064 1.00 10.43 C ATOM 220 NE ARG A 27 11.267 -7.053 -15.404 1.00 71.22 N ATOM 221 CZ ARG A 27 10.455 -6.034 -15.483 1.00 54.53 C ATOM 222 NH1 ARG A 27 10.910 -4.780 -15.503 1.00 32.44 N ATOM 223 NH2 ARG A 27 9.163 -6.281 -15.538 1.00 22.02 N ATOM 0 H ARG A 27 13.005 -8.913 -11.565 1.00 53.33 H new ATOM 0 HA ARG A 27 13.785 -10.579 -13.816 1.00 63.12 H new ATOM 0 HB2 ARG A 27 14.446 -7.752 -13.042 1.00 73.33 H new ATOM 0 HB3 ARG A 27 15.055 -8.577 -14.463 1.00 73.33 H new ATOM 0 HG2 ARG A 27 12.810 -9.132 -15.185 1.00 3.22 H new ATOM 0 HG3 ARG A 27 12.131 -8.519 -13.690 1.00 3.22 H new ATOM 0 HD2 ARG A 27 12.932 -6.242 -14.391 1.00 10.43 H new ATOM 0 HD3 ARG A 27 13.302 -6.945 -15.954 1.00 10.43 H new ATOM 0 HE ARG A 27 10.855 -7.964 -15.608 1.00 71.22 H new ATOM 0 HH11 ARG A 27 11.913 -4.601 -15.456 1.00 32.44 H new ATOM 0 HH12 ARG A 27 10.255 -4.001 -15.565 1.00 32.44 H new ATOM 0 HH21 ARG A 27 8.827 -7.244 -15.518 1.00 22.02 H new ATOM 0 HH22 ARG A 27 8.499 -5.510 -15.600 1.00 22.02 H new ATOM 237 N LEU A 28 15.532 -10.638 -11.282 1.00 70.55 N ATOM 238 CA LEU A 28 16.608 -11.475 -10.768 1.00 33.34 C ATOM 239 C LEU A 28 16.261 -12.903 -11.072 1.00 70.44 C ATOM 240 O LEU A 28 17.081 -13.657 -11.513 1.00 14.41 O ATOM 241 CB LEU A 28 16.835 -11.338 -9.245 1.00 53.31 C ATOM 242 CG LEU A 28 17.514 -10.069 -8.737 1.00 1.01 C ATOM 243 CD1 LEU A 28 16.654 -8.877 -8.959 1.00 34.10 C ATOM 244 CD2 LEU A 28 17.872 -10.204 -7.270 1.00 41.30 C ATOM 0 H LEU A 28 14.976 -10.157 -10.575 1.00 70.55 H new ATOM 0 HA LEU A 28 17.531 -11.152 -11.250 1.00 33.34 H new ATOM 0 HB2 LEU A 28 15.865 -11.419 -8.754 1.00 53.31 H new ATOM 0 HB3 LEU A 28 17.430 -12.190 -8.917 1.00 53.31 H new ATOM 0 HG LEU A 28 18.434 -9.930 -9.304 1.00 1.01 H new ATOM 0 HD11 LEU A 28 17.162 -7.987 -8.588 1.00 34.10 H new ATOM 0 HD12 LEU A 28 16.457 -8.764 -10.025 1.00 34.10 H new ATOM 0 HD13 LEU A 28 15.711 -9.005 -8.427 1.00 34.10 H new ATOM 0 HD21 LEU A 28 18.355 -9.289 -6.928 1.00 41.30 H new ATOM 0 HD22 LEU A 28 16.966 -10.376 -6.689 1.00 41.30 H new ATOM 0 HD23 LEU A 28 18.553 -11.045 -7.138 1.00 41.30 H new ATOM 256 N ILE A 29 14.991 -13.223 -10.898 1.00 30.10 N ATOM 257 CA ILE A 29 14.445 -14.572 -11.108 1.00 23.21 C ATOM 258 C ILE A 29 14.719 -15.104 -12.502 1.00 11.22 C ATOM 259 O ILE A 29 14.946 -16.299 -12.686 1.00 1.43 O ATOM 260 CB ILE A 29 12.913 -14.601 -10.749 1.00 41.11 C ATOM 261 CG1 ILE A 29 12.707 -15.013 -9.309 1.00 33.15 C ATOM 262 CG2 ILE A 29 12.059 -15.454 -11.682 1.00 5.03 C ATOM 263 CD1 ILE A 29 13.491 -14.210 -8.324 1.00 23.52 C ATOM 0 H ILE A 29 14.288 -12.546 -10.601 1.00 30.10 H new ATOM 0 HA ILE A 29 14.966 -15.249 -10.431 1.00 23.21 H new ATOM 0 HB ILE A 29 12.564 -13.578 -10.891 1.00 41.11 H new ATOM 0 HG12 ILE A 29 11.647 -14.930 -9.067 1.00 33.15 H new ATOM 0 HG13 ILE A 29 12.977 -16.064 -9.201 1.00 33.15 H new ATOM 0 HG21 ILE A 29 11.018 -15.416 -11.360 1.00 5.03 H new ATOM 0 HG22 ILE A 29 12.138 -15.071 -12.699 1.00 5.03 H new ATOM 0 HG23 ILE A 29 12.410 -16.486 -11.655 1.00 5.03 H new ATOM 0 HD11 ILE A 29 13.286 -14.570 -7.316 1.00 23.52 H new ATOM 0 HD12 ILE A 29 14.555 -14.312 -8.536 1.00 23.52 H new ATOM 0 HD13 ILE A 29 13.205 -13.161 -8.400 1.00 23.52 H new ATOM 275 N GLN A 30 14.764 -14.213 -13.447 1.00 25.42 N ATOM 276 CA GLN A 30 14.974 -14.574 -14.823 1.00 41.32 C ATOM 277 C GLN A 30 16.431 -14.996 -15.031 1.00 13.32 C ATOM 278 O GLN A 30 16.717 -15.923 -15.773 1.00 3.50 O ATOM 279 CB GLN A 30 14.624 -13.386 -15.708 1.00 44.03 C ATOM 280 CG GLN A 30 13.299 -12.734 -15.315 1.00 0.13 C ATOM 281 CD GLN A 30 12.907 -11.548 -16.175 1.00 31.21 C ATOM 282 OE1 GLN A 30 13.749 -10.849 -16.722 1.00 51.50 O ATOM 283 NE2 GLN A 30 11.628 -11.282 -16.248 1.00 43.11 N ATOM 0 H GLN A 30 14.656 -13.211 -13.288 1.00 25.42 H new ATOM 0 HA GLN A 30 14.334 -15.415 -15.090 1.00 41.32 H new ATOM 0 HB2 GLN A 30 15.421 -12.645 -15.649 1.00 44.03 H new ATOM 0 HB3 GLN A 30 14.570 -13.714 -16.746 1.00 44.03 H new ATOM 0 HG2 GLN A 30 12.509 -13.483 -15.368 1.00 0.13 H new ATOM 0 HG3 GLN A 30 13.361 -12.410 -14.276 1.00 0.13 H new ATOM 0 HE21 GLN A 30 10.954 -11.887 -15.779 1.00 43.11 H new ATOM 0 HE22 GLN A 30 11.305 -10.470 -16.774 1.00 43.11 H new ATOM 292 N GLU A 31 17.334 -14.318 -14.342 1.00 2.32 N ATOM 293 CA GLU A 31 18.757 -14.606 -14.448 1.00 72.21 C ATOM 294 C GLU A 31 19.166 -15.716 -13.483 1.00 71.12 C ATOM 295 O GLU A 31 20.099 -16.468 -13.746 1.00 13.10 O ATOM 296 CB GLU A 31 19.578 -13.343 -14.182 1.00 55.22 C ATOM 297 CG GLU A 31 19.108 -12.165 -15.001 1.00 5.23 C ATOM 298 CD GLU A 31 20.014 -10.969 -14.926 1.00 25.51 C ATOM 299 OE1 GLU A 31 20.955 -10.854 -15.760 1.00 10.22 O ATOM 300 OE2 GLU A 31 19.819 -10.106 -14.067 1.00 45.54 O ATOM 0 H GLU A 31 17.106 -13.560 -13.699 1.00 2.32 H new ATOM 0 HA GLU A 31 18.957 -14.948 -15.463 1.00 72.21 H new ATOM 0 HB2 GLU A 31 19.519 -13.092 -13.123 1.00 55.22 H new ATOM 0 HB3 GLU A 31 20.626 -13.541 -14.405 1.00 55.22 H new ATOM 0 HG2 GLU A 31 19.015 -12.473 -16.042 1.00 5.23 H new ATOM 0 HG3 GLU A 31 18.112 -11.876 -14.665 1.00 5.23 H new ATOM 307 N LEU A 32 18.464 -15.799 -12.360 1.00 13.45 N ATOM 308 CA LEU A 32 18.750 -16.778 -11.342 1.00 2.34 C ATOM 309 C LEU A 32 18.155 -18.131 -11.697 1.00 72.23 C ATOM 310 O LEU A 32 18.571 -19.157 -11.167 1.00 0.03 O ATOM 311 CB LEU A 32 18.225 -16.299 -9.976 1.00 21.40 C ATOM 312 CG LEU A 32 18.783 -14.969 -9.481 1.00 62.13 C ATOM 313 CD1 LEU A 32 18.303 -14.646 -8.080 1.00 32.33 C ATOM 314 CD2 LEU A 32 20.300 -14.900 -9.584 1.00 4.22 C ATOM 0 H LEU A 32 17.681 -15.184 -12.138 1.00 13.45 H new ATOM 0 HA LEU A 32 19.832 -16.895 -11.281 1.00 2.34 H new ATOM 0 HB2 LEU A 32 17.140 -16.218 -10.033 1.00 21.40 H new ATOM 0 HB3 LEU A 32 18.449 -17.065 -9.233 1.00 21.40 H new ATOM 0 HG LEU A 32 18.390 -14.201 -10.147 1.00 62.13 H new ATOM 0 HD11 LEU A 32 18.722 -13.691 -7.763 1.00 32.33 H new ATOM 0 HD12 LEU A 32 17.215 -14.585 -8.073 1.00 32.33 H new ATOM 0 HD13 LEU A 32 18.627 -15.430 -7.395 1.00 32.33 H new ATOM 0 HD21 LEU A 32 20.646 -13.933 -9.219 1.00 4.22 H new ATOM 0 HD22 LEU A 32 20.742 -15.694 -8.982 1.00 4.22 H new ATOM 0 HD23 LEU A 32 20.600 -15.023 -10.625 1.00 4.22 H new ATOM 326 N ASN A 33 17.182 -18.095 -12.605 1.00 32.10 N ATOM 327 CA ASN A 33 16.459 -19.266 -13.115 1.00 32.22 C ATOM 328 C ASN A 33 15.834 -20.062 -11.956 1.00 35.15 C ATOM 329 O ASN A 33 16.208 -21.209 -11.666 1.00 4.02 O ATOM 330 CB ASN A 33 17.357 -20.155 -14.017 1.00 5.15 C ATOM 331 CG ASN A 33 16.600 -21.271 -14.749 1.00 65.31 C ATOM 332 OD1 ASN A 33 16.119 -21.089 -15.860 1.00 60.32 O ATOM 333 ND2 ASN A 33 16.490 -22.423 -14.139 1.00 43.53 N ATOM 0 H ASN A 33 16.862 -17.221 -13.023 1.00 32.10 H new ATOM 0 HA ASN A 33 15.648 -18.909 -13.749 1.00 32.22 H new ATOM 0 HB2 ASN A 33 17.852 -19.523 -14.754 1.00 5.15 H new ATOM 0 HB3 ASN A 33 18.139 -20.603 -13.404 1.00 5.15 H new ATOM 0 HD21 ASN A 33 15.995 -23.193 -14.589 1.00 43.53 H new ATOM 0 HD22 ASN A 33 16.899 -22.551 -13.213 1.00 43.53 H new ATOM 340 N LEU A 34 14.936 -19.410 -11.257 1.00 53.24 N ATOM 341 CA LEU A 34 14.243 -19.974 -10.142 1.00 34.11 C ATOM 342 C LEU A 34 12.931 -19.244 -9.927 1.00 71.11 C ATOM 343 O LEU A 34 12.598 -18.363 -10.702 1.00 40.14 O ATOM 344 CB LEU A 34 15.140 -20.014 -8.884 1.00 51.44 C ATOM 345 CG LEU A 34 15.964 -18.767 -8.521 1.00 63.35 C ATOM 346 CD1 LEU A 34 15.091 -17.613 -8.107 1.00 54.23 C ATOM 347 CD2 LEU A 34 16.951 -19.110 -7.431 1.00 22.12 C ATOM 0 H LEU A 34 14.666 -18.448 -11.460 1.00 53.24 H new ATOM 0 HA LEU A 34 13.998 -21.014 -10.357 1.00 34.11 H new ATOM 0 HB2 LEU A 34 14.502 -20.248 -8.031 1.00 51.44 H new ATOM 0 HB3 LEU A 34 15.834 -20.846 -9.000 1.00 51.44 H new ATOM 0 HG LEU A 34 16.505 -18.449 -9.412 1.00 63.35 H new ATOM 0 HD11 LEU A 34 15.716 -16.755 -7.860 1.00 54.23 H new ATOM 0 HD12 LEU A 34 14.422 -17.351 -8.926 1.00 54.23 H new ATOM 0 HD13 LEU A 34 14.503 -17.897 -7.234 1.00 54.23 H new ATOM 0 HD21 LEU A 34 17.533 -18.225 -7.176 1.00 22.12 H new ATOM 0 HD22 LEU A 34 16.413 -19.457 -6.549 1.00 22.12 H new ATOM 0 HD23 LEU A 34 17.620 -19.896 -7.780 1.00 22.12 H new ATOM 359 N THR A 35 12.190 -19.596 -8.909 1.00 3.52 N ATOM 360 CA THR A 35 10.934 -18.965 -8.662 1.00 11.04 C ATOM 361 C THR A 35 11.119 -17.839 -7.645 1.00 20.43 C ATOM 362 O THR A 35 12.039 -17.902 -6.829 1.00 12.41 O ATOM 363 CB THR A 35 9.910 -20.008 -8.168 1.00 44.43 C ATOM 364 OG1 THR A 35 10.518 -20.834 -7.168 1.00 74.03 O ATOM 365 CG2 THR A 35 9.420 -20.877 -9.318 1.00 52.14 C ATOM 0 H THR A 35 12.443 -20.321 -8.238 1.00 3.52 H new ATOM 0 HA THR A 35 10.550 -18.531 -9.586 1.00 11.04 H new ATOM 0 HB THR A 35 9.054 -19.481 -7.746 1.00 44.43 H new ATOM 0 HG1 THR A 35 9.869 -21.496 -6.852 1.00 74.03 H new ATOM 0 HG21 THR A 35 8.699 -21.604 -8.943 1.00 52.14 H new ATOM 0 HG22 THR A 35 8.944 -20.249 -10.071 1.00 52.14 H new ATOM 0 HG23 THR A 35 10.265 -21.401 -9.764 1.00 52.14 H new ATOM 373 N PRO A 36 10.257 -16.786 -7.672 1.00 65.12 N ATOM 374 CA PRO A 36 10.378 -15.617 -6.762 1.00 45.40 C ATOM 375 C PRO A 36 10.383 -15.998 -5.279 1.00 71.13 C ATOM 376 O PRO A 36 10.907 -15.278 -4.449 1.00 1.52 O ATOM 377 CB PRO A 36 9.139 -14.779 -7.090 1.00 71.31 C ATOM 378 CG PRO A 36 8.775 -15.164 -8.479 1.00 73.43 C ATOM 379 CD PRO A 36 9.127 -16.619 -8.614 1.00 24.12 C ATOM 0 HA PRO A 36 11.324 -15.097 -6.913 1.00 45.40 H new ATOM 0 HB2 PRO A 36 8.325 -14.988 -6.396 1.00 71.31 H new ATOM 0 HB3 PRO A 36 9.353 -13.713 -7.019 1.00 71.31 H new ATOM 0 HG2 PRO A 36 7.713 -15.001 -8.663 1.00 73.43 H new ATOM 0 HG3 PRO A 36 9.320 -14.562 -9.206 1.00 73.43 H new ATOM 0 HD2 PRO A 36 8.287 -17.262 -8.352 1.00 24.12 H new ATOM 0 HD3 PRO A 36 9.414 -16.870 -9.635 1.00 24.12 H new ATOM 387 N GLN A 37 9.820 -17.147 -4.980 1.00 3.13 N ATOM 388 CA GLN A 37 9.740 -17.640 -3.620 1.00 11.32 C ATOM 389 C GLN A 37 11.060 -18.269 -3.168 1.00 63.43 C ATOM 390 O GLN A 37 11.248 -18.533 -1.992 1.00 30.41 O ATOM 391 CB GLN A 37 8.617 -18.662 -3.495 1.00 70.31 C ATOM 392 CG GLN A 37 8.784 -19.818 -4.444 1.00 71.53 C ATOM 393 CD GLN A 37 7.737 -20.885 -4.282 1.00 63.41 C ATOM 394 OE1 GLN A 37 6.689 -20.832 -4.902 1.00 43.33 O ATOM 395 NE2 GLN A 37 8.034 -21.882 -3.493 1.00 34.03 N ATOM 0 H GLN A 37 9.403 -17.769 -5.673 1.00 3.13 H new ATOM 0 HA GLN A 37 9.532 -16.787 -2.974 1.00 11.32 H new ATOM 0 HB2 GLN A 37 8.583 -19.037 -2.472 1.00 70.31 H new ATOM 0 HB3 GLN A 37 7.662 -18.173 -3.687 1.00 70.31 H new ATOM 0 HG2 GLN A 37 8.755 -19.444 -5.468 1.00 71.53 H new ATOM 0 HG3 GLN A 37 9.769 -20.261 -4.294 1.00 71.53 H new ATOM 0 HE21 GLN A 37 8.922 -21.888 -2.992 1.00 34.03 H new ATOM 0 HE22 GLN A 37 7.378 -22.654 -3.378 1.00 34.03 H new ATOM 404 N GLN A 38 11.966 -18.527 -4.105 1.00 51.23 N ATOM 405 CA GLN A 38 13.212 -19.169 -3.756 1.00 1.33 C ATOM 406 C GLN A 38 14.383 -18.208 -3.859 1.00 2.34 C ATOM 407 O GLN A 38 15.531 -18.635 -3.939 1.00 24.30 O ATOM 408 CB GLN A 38 13.463 -20.408 -4.633 1.00 53.21 C ATOM 409 CG GLN A 38 12.348 -21.453 -4.586 1.00 2.43 C ATOM 410 CD GLN A 38 11.998 -21.940 -3.177 1.00 64.04 C ATOM 411 OE1 GLN A 38 10.851 -22.292 -2.904 1.00 33.22 O ATOM 412 NE2 GLN A 38 12.966 -21.987 -2.290 1.00 72.51 N ATOM 0 H GLN A 38 11.858 -18.303 -5.094 1.00 51.23 H new ATOM 0 HA GLN A 38 13.127 -19.490 -2.718 1.00 1.33 H new ATOM 0 HB2 GLN A 38 13.599 -20.086 -5.665 1.00 53.21 H new ATOM 0 HB3 GLN A 38 14.396 -20.876 -4.320 1.00 53.21 H new ATOM 0 HG2 GLN A 38 11.453 -21.033 -5.045 1.00 2.43 H new ATOM 0 HG3 GLN A 38 12.644 -22.310 -5.191 1.00 2.43 H new ATOM 0 HE21 GLN A 38 13.907 -21.688 -2.546 1.00 72.51 H new ATOM 0 HE22 GLN A 38 12.776 -22.322 -1.345 1.00 72.51 H new ATOM 421 N LEU A 39 14.107 -16.920 -3.843 1.00 4.34 N ATOM 422 CA LEU A 39 15.184 -15.964 -3.892 1.00 5.41 C ATOM 423 C LEU A 39 15.648 -15.651 -2.482 1.00 4.12 C ATOM 424 O LEU A 39 14.924 -15.875 -1.515 1.00 34.33 O ATOM 425 CB LEU A 39 14.856 -14.671 -4.727 1.00 10.24 C ATOM 426 CG LEU A 39 13.868 -13.609 -4.161 1.00 5.35 C ATOM 427 CD1 LEU A 39 14.466 -12.869 -2.986 1.00 40.25 C ATOM 428 CD2 LEU A 39 13.512 -12.597 -5.226 1.00 74.54 C ATOM 0 H LEU A 39 13.169 -16.522 -3.798 1.00 4.34 H new ATOM 0 HA LEU A 39 16.006 -16.425 -4.439 1.00 5.41 H new ATOM 0 HB2 LEU A 39 15.800 -14.163 -4.923 1.00 10.24 H new ATOM 0 HB3 LEU A 39 14.464 -14.998 -5.690 1.00 10.24 H new ATOM 0 HG LEU A 39 12.976 -14.144 -3.835 1.00 5.35 H new ATOM 0 HD11 LEU A 39 13.750 -12.135 -2.615 1.00 40.25 H new ATOM 0 HD12 LEU A 39 14.703 -13.578 -2.192 1.00 40.25 H new ATOM 0 HD13 LEU A 39 15.377 -12.360 -3.302 1.00 40.25 H new ATOM 0 HD21 LEU A 39 12.821 -11.862 -4.813 1.00 74.54 H new ATOM 0 HD22 LEU A 39 14.417 -12.093 -5.566 1.00 74.54 H new ATOM 0 HD23 LEU A 39 13.041 -13.105 -6.068 1.00 74.54 H new ATOM 440 N HIS A 40 16.833 -15.140 -2.380 1.00 12.23 N ATOM 441 CA HIS A 40 17.427 -14.806 -1.138 1.00 73.12 C ATOM 442 C HIS A 40 16.955 -13.405 -0.684 1.00 13.21 C ATOM 443 O HIS A 40 17.547 -12.385 -1.066 1.00 23.45 O ATOM 444 CB HIS A 40 18.958 -14.823 -1.297 1.00 0.53 C ATOM 445 CG HIS A 40 19.581 -16.149 -1.710 1.00 14.40 C ATOM 446 ND1 HIS A 40 20.941 -16.356 -1.807 1.00 4.22 N ATOM 447 CD2 HIS A 40 19.008 -17.333 -2.057 1.00 55.41 C ATOM 448 CE1 HIS A 40 21.146 -17.616 -2.199 1.00 33.33 C ATOM 449 NE2 HIS A 40 20.009 -18.250 -2.366 1.00 11.34 N ATOM 0 H HIS A 40 17.426 -14.940 -3.185 1.00 12.23 H new ATOM 0 HA HIS A 40 17.129 -15.532 -0.382 1.00 73.12 H new ATOM 0 HB2 HIS A 40 19.233 -14.071 -2.037 1.00 0.53 H new ATOM 0 HB3 HIS A 40 19.403 -14.516 -0.350 1.00 0.53 H new ATOM 0 HD1 HIS A 40 21.666 -15.665 -1.613 1.00 4.22 H new ATOM 0 HD2 HIS A 40 17.947 -17.530 -2.088 1.00 55.41 H new ATOM 0 HE1 HIS A 40 22.120 -18.056 -2.358 1.00 33.33 H new ATOM 457 N GLU A 41 15.847 -13.360 0.040 1.00 14.25 N ATOM 458 CA GLU A 41 15.342 -12.100 0.606 1.00 32.41 C ATOM 459 C GLU A 41 16.196 -11.752 1.782 1.00 31.44 C ATOM 460 O GLU A 41 16.734 -10.650 1.894 1.00 22.31 O ATOM 461 CB GLU A 41 13.885 -12.241 1.092 1.00 75.52 C ATOM 462 CG GLU A 41 12.804 -12.094 0.034 1.00 51.02 C ATOM 463 CD GLU A 41 12.713 -10.676 -0.510 1.00 53.11 C ATOM 464 OE1 GLU A 41 12.564 -9.728 0.291 1.00 31.21 O ATOM 465 OE2 GLU A 41 12.779 -10.482 -1.733 1.00 31.32 O ATOM 0 H GLU A 41 15.274 -14.176 0.254 1.00 14.25 H new ATOM 0 HA GLU A 41 15.374 -11.331 -0.165 1.00 32.41 H new ATOM 0 HB2 GLU A 41 13.774 -13.219 1.561 1.00 75.52 H new ATOM 0 HB3 GLU A 41 13.709 -11.494 1.867 1.00 75.52 H new ATOM 0 HG2 GLU A 41 13.006 -12.783 -0.786 1.00 51.02 H new ATOM 0 HG3 GLU A 41 11.842 -12.379 0.460 1.00 51.02 H new ATOM 472 N GLU A 42 16.345 -12.733 2.607 1.00 64.31 N ATOM 473 CA GLU A 42 17.078 -12.686 3.837 1.00 3.25 C ATOM 474 C GLU A 42 18.471 -13.264 3.650 1.00 60.10 C ATOM 475 O GLU A 42 19.395 -12.955 4.405 1.00 45.11 O ATOM 476 CB GLU A 42 16.300 -13.453 4.947 1.00 24.30 C ATOM 477 CG GLU A 42 15.416 -14.638 4.454 1.00 31.30 C ATOM 478 CD GLU A 42 16.130 -15.607 3.526 1.00 74.44 C ATOM 479 OE1 GLU A 42 16.768 -16.537 4.000 1.00 3.14 O ATOM 480 OE2 GLU A 42 16.094 -15.372 2.286 1.00 22.32 O ATOM 0 H GLU A 42 15.933 -13.650 2.433 1.00 64.31 H new ATOM 0 HA GLU A 42 17.187 -11.646 4.146 1.00 3.25 H new ATOM 0 HB2 GLU A 42 17.019 -13.836 5.671 1.00 24.30 H new ATOM 0 HB3 GLU A 42 15.663 -12.744 5.476 1.00 24.30 H new ATOM 0 HG2 GLU A 42 15.049 -15.187 5.321 1.00 31.30 H new ATOM 0 HG3 GLU A 42 14.544 -14.236 3.939 1.00 31.30 H new ATOM 487 N SER A 43 18.615 -14.087 2.642 1.00 44.11 N ATOM 488 CA SER A 43 19.850 -14.703 2.363 1.00 11.32 C ATOM 489 C SER A 43 20.711 -13.802 1.474 1.00 1.45 C ATOM 490 O SER A 43 20.201 -12.915 0.783 1.00 11.42 O ATOM 491 CB SER A 43 19.601 -16.078 1.749 1.00 2.04 C ATOM 492 OG SER A 43 19.099 -16.989 2.713 1.00 72.41 O ATOM 0 H SER A 43 17.864 -14.338 1.999 1.00 44.11 H new ATOM 0 HA SER A 43 20.412 -14.850 3.286 1.00 11.32 H new ATOM 0 HB2 SER A 43 18.892 -15.988 0.926 1.00 2.04 H new ATOM 0 HB3 SER A 43 20.529 -16.465 1.329 1.00 2.04 H new ATOM 0 HG SER A 43 18.301 -16.610 3.137 1.00 72.41 H new ATOM 498 N ASN A 44 22.006 -14.023 1.507 1.00 60.11 N ATOM 499 CA ASN A 44 22.954 -13.197 0.768 1.00 0.34 C ATOM 500 C ASN A 44 22.830 -13.461 -0.735 1.00 55.11 C ATOM 501 O ASN A 44 22.962 -14.598 -1.189 1.00 42.23 O ATOM 502 CB ASN A 44 24.392 -13.474 1.267 1.00 23.23 C ATOM 503 CG ASN A 44 25.442 -12.499 0.734 1.00 13.32 C ATOM 504 OD1 ASN A 44 25.324 -11.967 -0.348 1.00 62.22 O ATOM 505 ND2 ASN A 44 26.481 -12.269 1.502 1.00 35.12 N ATOM 0 H ASN A 44 22.438 -14.776 2.043 1.00 60.11 H new ATOM 0 HA ASN A 44 22.727 -12.145 0.943 1.00 0.34 H new ATOM 0 HB2 ASN A 44 24.399 -13.438 2.356 1.00 23.23 H new ATOM 0 HB3 ASN A 44 24.675 -14.487 0.980 1.00 23.23 H new ATOM 0 HD21 ASN A 44 27.213 -11.630 1.192 1.00 35.12 H new ATOM 0 HD22 ASN A 44 26.557 -12.730 2.409 1.00 35.12 H new ATOM 512 N LEU A 45 22.594 -12.409 -1.495 1.00 13.44 N ATOM 513 CA LEU A 45 22.414 -12.504 -2.938 1.00 53.22 C ATOM 514 C LEU A 45 23.721 -12.782 -3.670 1.00 62.11 C ATOM 515 O LEU A 45 23.709 -13.293 -4.770 1.00 14.30 O ATOM 516 CB LEU A 45 21.718 -11.260 -3.507 1.00 0.52 C ATOM 517 CG LEU A 45 20.221 -11.106 -3.198 1.00 52.13 C ATOM 518 CD1 LEU A 45 19.723 -9.758 -3.685 1.00 35.20 C ATOM 519 CD2 LEU A 45 19.422 -12.208 -3.882 1.00 71.04 C ATOM 0 H LEU A 45 22.521 -11.459 -1.131 1.00 13.44 H new ATOM 0 HA LEU A 45 21.762 -13.360 -3.110 1.00 53.22 H new ATOM 0 HB2 LEU A 45 22.236 -10.378 -3.130 1.00 0.52 H new ATOM 0 HB3 LEU A 45 21.843 -11.265 -4.590 1.00 0.52 H new ATOM 0 HG LEU A 45 20.086 -11.178 -2.119 1.00 52.13 H new ATOM 0 HD11 LEU A 45 18.661 -9.660 -3.461 1.00 35.20 H new ATOM 0 HD12 LEU A 45 20.275 -8.963 -3.183 1.00 35.20 H new ATOM 0 HD13 LEU A 45 19.875 -9.681 -4.762 1.00 35.20 H new ATOM 0 HD21 LEU A 45 18.363 -12.085 -3.653 1.00 71.04 H new ATOM 0 HD22 LEU A 45 19.570 -12.149 -4.960 1.00 71.04 H new ATOM 0 HD23 LEU A 45 19.760 -13.180 -3.522 1.00 71.04 H new ATOM 531 N ILE A 46 24.841 -12.504 -3.022 1.00 23.53 N ATOM 532 CA ILE A 46 26.171 -12.750 -3.606 1.00 63.51 C ATOM 533 C ILE A 46 26.479 -14.271 -3.509 1.00 4.01 C ATOM 534 O ILE A 46 27.483 -14.769 -3.995 1.00 11.25 O ATOM 535 CB ILE A 46 27.274 -11.903 -2.861 1.00 51.31 C ATOM 536 CG1 ILE A 46 26.890 -10.416 -2.799 1.00 23.33 C ATOM 537 CG2 ILE A 46 28.638 -12.027 -3.523 1.00 14.23 C ATOM 538 CD1 ILE A 46 26.777 -9.720 -4.142 1.00 45.33 C ATOM 0 H ILE A 46 24.866 -12.105 -2.084 1.00 23.53 H new ATOM 0 HA ILE A 46 26.177 -12.442 -4.652 1.00 63.51 H new ATOM 0 HB ILE A 46 27.335 -12.309 -1.851 1.00 51.31 H new ATOM 0 HG12 ILE A 46 25.936 -10.325 -2.280 1.00 23.33 H new ATOM 0 HG13 ILE A 46 27.632 -9.891 -2.197 1.00 23.33 H new ATOM 0 HG21 ILE A 46 29.364 -11.427 -2.975 1.00 14.23 H new ATOM 0 HG22 ILE A 46 28.952 -13.071 -3.517 1.00 14.23 H new ATOM 0 HG23 ILE A 46 28.577 -11.672 -4.552 1.00 14.23 H new ATOM 0 HD11 ILE A 46 26.502 -8.676 -3.989 1.00 45.33 H new ATOM 0 HD12 ILE A 46 27.735 -9.771 -4.660 1.00 45.33 H new ATOM 0 HD13 ILE A 46 26.013 -10.212 -4.744 1.00 45.33 H new ATOM 550 N GLN A 47 25.594 -14.986 -2.830 1.00 13.31 N ATOM 551 CA GLN A 47 25.675 -16.437 -2.728 1.00 2.45 C ATOM 552 C GLN A 47 24.852 -17.081 -3.833 1.00 21.32 C ATOM 553 O GLN A 47 24.845 -18.291 -4.011 1.00 21.54 O ATOM 554 CB GLN A 47 25.247 -16.905 -1.349 1.00 15.24 C ATOM 555 CG GLN A 47 26.176 -16.408 -0.251 1.00 72.32 C ATOM 556 CD GLN A 47 27.586 -16.973 -0.375 1.00 3.10 C ATOM 557 OE1 GLN A 47 27.899 -17.997 0.201 1.00 23.11 O ATOM 558 NE2 GLN A 47 28.424 -16.333 -1.158 1.00 34.33 N ATOM 0 H GLN A 47 24.801 -14.578 -2.335 1.00 13.31 H new ATOM 0 HA GLN A 47 26.711 -16.749 -2.860 1.00 2.45 H new ATOM 0 HB2 GLN A 47 24.234 -16.556 -1.149 1.00 15.24 H new ATOM 0 HB3 GLN A 47 25.219 -17.994 -1.331 1.00 15.24 H new ATOM 0 HG2 GLN A 47 26.221 -15.319 -0.283 1.00 72.32 H new ATOM 0 HG3 GLN A 47 25.763 -16.681 0.720 1.00 72.32 H new ATOM 0 HE21 GLN A 47 28.131 -15.476 -1.627 1.00 34.33 H new ATOM 0 HE22 GLN A 47 29.368 -16.693 -1.297 1.00 34.33 H new ATOM 567 N ALA A 48 24.139 -16.242 -4.544 1.00 11.43 N ATOM 568 CA ALA A 48 23.372 -16.627 -5.692 1.00 0.12 C ATOM 569 C ALA A 48 24.102 -16.053 -6.892 1.00 62.43 C ATOM 570 O ALA A 48 25.165 -15.445 -6.720 1.00 44.02 O ATOM 571 CB ALA A 48 21.952 -16.072 -5.600 1.00 13.44 C ATOM 0 H ALA A 48 24.078 -15.247 -4.330 1.00 11.43 H new ATOM 0 HA ALA A 48 23.279 -17.710 -5.767 1.00 0.12 H new ATOM 0 HB1 ALA A 48 21.385 -16.375 -6.480 1.00 13.44 H new ATOM 0 HB2 ALA A 48 21.467 -16.461 -4.705 1.00 13.44 H new ATOM 0 HB3 ALA A 48 21.989 -14.984 -5.549 1.00 13.44 H new ATOM 577 N GLY A 49 23.584 -16.234 -8.089 1.00 42.15 N ATOM 578 CA GLY A 49 24.275 -15.674 -9.226 1.00 41.55 C ATOM 579 C GLY A 49 24.029 -14.183 -9.343 1.00 21.35 C ATOM 580 O GLY A 49 23.134 -13.741 -10.048 1.00 72.21 O ATOM 0 H GLY A 49 22.724 -16.742 -8.294 1.00 42.15 H new ATOM 0 HA2 GLY A 49 25.345 -15.862 -9.132 1.00 41.55 H new ATOM 0 HA3 GLY A 49 23.943 -16.172 -10.137 1.00 41.55 H new ATOM 584 N LEU A 50 24.839 -13.427 -8.671 1.00 34.43 N ATOM 585 CA LEU A 50 24.785 -12.015 -8.699 1.00 63.22 C ATOM 586 C LEU A 50 26.192 -11.472 -8.773 1.00 3.21 C ATOM 587 O LEU A 50 26.949 -11.525 -7.802 1.00 50.32 O ATOM 588 CB LEU A 50 24.057 -11.465 -7.461 1.00 43.54 C ATOM 589 CG LEU A 50 24.098 -9.940 -7.297 1.00 42.40 C ATOM 590 CD1 LEU A 50 23.340 -9.241 -8.403 1.00 34.31 C ATOM 591 CD2 LEU A 50 23.581 -9.505 -5.948 1.00 2.21 C ATOM 0 H LEU A 50 25.577 -13.796 -8.071 1.00 34.43 H new ATOM 0 HA LEU A 50 24.223 -11.696 -9.577 1.00 63.22 H new ATOM 0 HB2 LEU A 50 23.015 -11.781 -7.503 1.00 43.54 H new ATOM 0 HB3 LEU A 50 24.493 -11.921 -6.572 1.00 43.54 H new ATOM 0 HG LEU A 50 25.146 -9.647 -7.364 1.00 42.40 H new ATOM 0 HD11 LEU A 50 23.391 -8.162 -8.254 1.00 34.31 H new ATOM 0 HD12 LEU A 50 23.784 -9.495 -9.365 1.00 34.31 H new ATOM 0 HD13 LEU A 50 22.298 -9.561 -8.388 1.00 34.31 H new ATOM 0 HD21 LEU A 50 23.627 -8.419 -5.874 1.00 2.21 H new ATOM 0 HD22 LEU A 50 22.548 -9.833 -5.831 1.00 2.21 H new ATOM 0 HD23 LEU A 50 24.193 -9.949 -5.163 1.00 2.21 H new ATOM 603 N ASP A 51 26.542 -11.033 -9.937 1.00 51.25 N ATOM 604 CA ASP A 51 27.812 -10.405 -10.183 1.00 41.34 C ATOM 605 C ASP A 51 27.658 -8.908 -9.976 1.00 43.11 C ATOM 606 O ASP A 51 26.643 -8.444 -9.431 1.00 24.33 O ATOM 607 CB ASP A 51 28.309 -10.714 -11.613 1.00 23.42 C ATOM 608 CG ASP A 51 27.274 -10.425 -12.684 1.00 63.05 C ATOM 609 OD1 ASP A 51 26.748 -9.309 -12.748 1.00 72.04 O ATOM 610 OD2 ASP A 51 26.924 -11.345 -13.436 1.00 5.24 O ATOM 0 H ASP A 51 25.947 -11.099 -10.763 1.00 51.25 H new ATOM 0 HA ASP A 51 28.556 -10.796 -9.489 1.00 41.34 H new ATOM 0 HB2 ASP A 51 29.204 -10.125 -11.814 1.00 23.42 H new ATOM 0 HB3 ASP A 51 28.598 -11.763 -11.671 1.00 23.42 H new ATOM 680 N ILE A 53 27.661 -6.699 -12.445 1.00 75.24 N ATOM 681 CA ILE A 53 27.056 -6.080 -13.557 1.00 52.14 C ATOM 682 C ILE A 53 25.551 -6.106 -13.351 1.00 32.42 C ATOM 683 O ILE A 53 24.844 -5.145 -13.670 1.00 61.04 O ATOM 684 CB ILE A 53 27.523 -6.708 -14.910 1.00 44.34 C ATOM 685 CG1 ILE A 53 27.743 -5.618 -15.941 1.00 34.11 C ATOM 686 CG2 ILE A 53 26.579 -7.785 -15.465 1.00 12.24 C ATOM 687 CD1 ILE A 53 26.518 -4.769 -16.243 1.00 31.11 C ATOM 0 HA ILE A 53 27.374 -5.040 -13.629 1.00 52.14 H new ATOM 0 HB ILE A 53 28.461 -7.220 -14.696 1.00 44.34 H new ATOM 0 HG12 ILE A 53 28.544 -4.965 -15.593 1.00 34.11 H new ATOM 0 HG13 ILE A 53 28.086 -6.078 -16.868 1.00 34.11 H new ATOM 0 HG21 ILE A 53 26.977 -8.168 -16.405 1.00 12.24 H new ATOM 0 HG22 ILE A 53 26.495 -8.601 -14.747 1.00 12.24 H new ATOM 0 HG23 ILE A 53 25.594 -7.351 -15.638 1.00 12.24 H new ATOM 0 HD11 ILE A 53 26.772 -4.017 -16.991 1.00 31.11 H new ATOM 0 HD12 ILE A 53 25.719 -5.405 -16.625 1.00 31.11 H new ATOM 0 HD13 ILE A 53 26.184 -4.275 -15.331 1.00 31.11 H new ATOM 699 N ARG A 54 25.067 -7.188 -12.767 1.00 44.43 N ATOM 700 CA ARG A 54 23.691 -7.258 -12.354 1.00 23.55 C ATOM 701 C ARG A 54 23.469 -6.231 -11.286 1.00 74.02 C ATOM 702 O ARG A 54 22.534 -5.454 -11.354 1.00 32.01 O ATOM 703 CB ARG A 54 23.316 -8.641 -11.814 1.00 52.24 C ATOM 704 CG ARG A 54 22.864 -9.649 -12.851 1.00 11.33 C ATOM 705 CD ARG A 54 23.946 -10.042 -13.827 1.00 21.43 C ATOM 706 NE ARG A 54 23.401 -10.936 -14.843 1.00 3.21 N ATOM 707 CZ ARG A 54 24.059 -11.834 -15.557 1.00 42.22 C ATOM 708 NH1 ARG A 54 25.344 -12.088 -15.332 1.00 24.32 N ATOM 709 NH2 ARG A 54 23.388 -12.518 -16.480 1.00 61.25 N ATOM 0 H ARG A 54 25.613 -8.027 -12.571 1.00 44.43 H new ATOM 0 HA ARG A 54 23.061 -7.069 -13.224 1.00 23.55 H new ATOM 0 HB2 ARG A 54 24.177 -9.051 -11.286 1.00 52.24 H new ATOM 0 HB3 ARG A 54 22.520 -8.521 -11.079 1.00 52.24 H new ATOM 0 HG2 ARG A 54 22.503 -10.543 -12.343 1.00 11.33 H new ATOM 0 HG3 ARG A 54 22.021 -9.235 -13.404 1.00 11.33 H new ATOM 0 HD2 ARG A 54 24.362 -9.152 -14.299 1.00 21.43 H new ATOM 0 HD3 ARG A 54 24.763 -10.534 -13.299 1.00 21.43 H new ATOM 0 HE ARG A 54 22.400 -10.860 -15.023 1.00 3.21 H new ATOM 0 HH11 ARG A 54 25.842 -11.586 -14.597 1.00 24.32 H new ATOM 0 HH12 ARG A 54 25.832 -12.785 -15.895 1.00 24.32 H new ATOM 0 HH21 ARG A 54 22.393 -12.343 -16.621 1.00 61.25 H new ATOM 0 HH22 ARG A 54 23.868 -13.217 -17.046 1.00 61.25 H new ATOM 723 N LEU A 55 24.399 -6.175 -10.354 1.00 3.41 N ATOM 724 CA LEU A 55 24.298 -5.301 -9.216 1.00 3.22 C ATOM 725 C LEU A 55 24.362 -3.819 -9.650 1.00 74.11 C ATOM 726 O LEU A 55 23.543 -3.013 -9.205 1.00 72.42 O ATOM 727 CB LEU A 55 25.377 -5.683 -8.185 1.00 63.15 C ATOM 728 CG LEU A 55 25.085 -5.379 -6.704 1.00 44.03 C ATOM 729 CD1 LEU A 55 26.041 -6.157 -5.832 1.00 33.43 C ATOM 730 CD2 LEU A 55 25.213 -3.899 -6.393 1.00 15.45 C ATOM 0 H LEU A 55 25.248 -6.740 -10.370 1.00 3.41 H new ATOM 0 HA LEU A 55 23.328 -5.424 -8.735 1.00 3.22 H new ATOM 0 HB2 LEU A 55 25.567 -6.752 -8.278 1.00 63.15 H new ATOM 0 HB3 LEU A 55 26.299 -5.170 -8.458 1.00 63.15 H new ATOM 0 HG LEU A 55 24.056 -5.677 -6.501 1.00 44.03 H new ATOM 0 HD11 LEU A 55 25.834 -5.942 -4.784 1.00 33.43 H new ATOM 0 HD12 LEU A 55 25.914 -7.224 -6.015 1.00 33.43 H new ATOM 0 HD13 LEU A 55 27.065 -5.868 -6.067 1.00 33.43 H new ATOM 0 HD21 LEU A 55 24.999 -3.729 -5.338 1.00 15.45 H new ATOM 0 HD22 LEU A 55 26.227 -3.567 -6.615 1.00 15.45 H new ATOM 0 HD23 LEU A 55 24.505 -3.337 -7.002 1.00 15.45 H new ATOM 742 N MET A 56 25.295 -3.465 -10.550 1.00 21.25 N ATOM 743 CA MET A 56 25.379 -2.078 -11.038 1.00 65.42 C ATOM 744 C MET A 56 24.141 -1.724 -11.843 1.00 25.21 C ATOM 745 O MET A 56 23.668 -0.591 -11.793 1.00 13.01 O ATOM 746 CB MET A 56 26.645 -1.779 -11.882 1.00 32.24 C ATOM 747 CG MET A 56 28.020 -1.869 -11.175 1.00 63.34 C ATOM 748 SD MET A 56 28.144 -0.940 -9.631 1.00 33.11 S ATOM 749 CE MET A 56 27.543 -2.145 -8.447 1.00 61.11 C ATOM 0 H MET A 56 25.986 -4.102 -10.946 1.00 21.25 H new ATOM 0 HA MET A 56 25.446 -1.458 -10.144 1.00 65.42 H new ATOM 0 HB2 MET A 56 26.656 -2.469 -12.726 1.00 32.24 H new ATOM 0 HB3 MET A 56 26.544 -0.774 -12.293 1.00 32.24 H new ATOM 0 HG2 MET A 56 28.239 -2.917 -10.970 1.00 63.34 H new ATOM 0 HG3 MET A 56 28.789 -1.511 -11.860 1.00 63.34 H new ATOM 0 HE1 MET A 56 28.133 -2.082 -7.533 1.00 61.11 H new ATOM 0 HE2 MET A 56 26.497 -1.940 -8.219 1.00 61.11 H new ATOM 0 HE3 MET A 56 27.633 -3.146 -8.869 1.00 61.11 H new ATOM 759 N ARG A 57 23.601 -2.714 -12.560 1.00 53.14 N ATOM 760 CA ARG A 57 22.388 -2.555 -13.346 1.00 15.53 C ATOM 761 C ARG A 57 21.227 -2.158 -12.464 1.00 44.33 C ATOM 762 O ARG A 57 20.371 -1.366 -12.870 1.00 44.35 O ATOM 763 CB ARG A 57 22.040 -3.831 -14.004 1.00 64.41 C ATOM 764 CG ARG A 57 21.049 -3.608 -15.091 1.00 12.14 C ATOM 765 CD ARG A 57 20.247 -4.800 -15.277 1.00 75.41 C ATOM 766 NE ARG A 57 21.024 -5.954 -15.770 1.00 12.21 N ATOM 767 CZ ARG A 57 20.770 -7.245 -15.462 1.00 14.32 C ATOM 768 NH1 ARG A 57 19.871 -7.550 -14.540 1.00 14.53 N ATOM 769 NH2 ARG A 57 21.448 -8.223 -16.059 1.00 54.24 N ATOM 0 H ARG A 57 24.001 -3.651 -12.607 1.00 53.14 H new ATOM 0 HA ARG A 57 22.574 -1.778 -14.088 1.00 15.53 H new ATOM 0 HB2 ARG A 57 22.939 -4.292 -14.413 1.00 64.41 H new ATOM 0 HB3 ARG A 57 21.632 -4.525 -13.270 1.00 64.41 H new ATOM 0 HG2 ARG A 57 20.408 -2.762 -14.843 1.00 12.14 H new ATOM 0 HG3 ARG A 57 21.563 -3.356 -16.018 1.00 12.14 H new ATOM 0 HD2 ARG A 57 19.777 -5.065 -14.330 1.00 75.41 H new ATOM 0 HD3 ARG A 57 19.444 -4.583 -15.982 1.00 75.41 H new ATOM 0 HE ARG A 57 21.811 -5.763 -16.389 1.00 12.21 H new ATOM 0 HH11 ARG A 57 19.364 -6.808 -14.057 1.00 14.53 H new ATOM 0 HH12 ARG A 57 19.685 -8.527 -14.313 1.00 14.53 H new ATOM 0 HH21 ARG A 57 22.162 -7.999 -16.752 1.00 54.24 H new ATOM 0 HH22 ARG A 57 21.253 -9.196 -15.824 1.00 54.24 H new ATOM 783 N TRP A 58 21.198 -2.722 -11.272 1.00 24.21 N ATOM 784 CA TRP A 58 20.179 -2.391 -10.290 1.00 60.44 C ATOM 785 C TRP A 58 20.255 -0.940 -9.897 1.00 32.10 C ATOM 786 O TRP A 58 19.251 -0.226 -9.989 1.00 14.33 O ATOM 787 CB TRP A 58 20.191 -3.366 -9.103 1.00 42.44 C ATOM 788 CG TRP A 58 19.916 -4.783 -9.545 1.00 54.34 C ATOM 789 CD1 TRP A 58 20.589 -5.900 -9.168 1.00 1.41 C ATOM 790 CD2 TRP A 58 18.907 -5.227 -10.490 1.00 71.31 C ATOM 791 NE1 TRP A 58 20.091 -7.000 -9.820 1.00 3.33 N ATOM 792 CE2 TRP A 58 19.059 -6.612 -10.631 1.00 63.23 C ATOM 793 CE3 TRP A 58 17.893 -4.585 -11.232 1.00 61.33 C ATOM 794 CZ2 TRP A 58 18.257 -7.366 -11.475 1.00 22.31 C ATOM 795 CZ3 TRP A 58 17.097 -5.343 -12.062 1.00 51.33 C ATOM 796 CH2 TRP A 58 17.285 -6.718 -12.180 1.00 44.25 C ATOM 0 H TRP A 58 21.874 -3.418 -10.957 1.00 24.21 H new ATOM 0 HA TRP A 58 19.200 -2.522 -10.752 1.00 60.44 H new ATOM 0 HB2 TRP A 58 21.159 -3.321 -8.604 1.00 42.44 H new ATOM 0 HB3 TRP A 58 19.442 -3.060 -8.373 1.00 42.44 H new ATOM 0 HD1 TRP A 58 21.401 -5.920 -8.456 1.00 1.41 H new ATOM 0 HE1 TRP A 58 20.435 -7.955 -9.717 1.00 3.33 H new ATOM 0 HE3 TRP A 58 17.744 -3.518 -11.151 1.00 61.33 H new ATOM 0 HZ2 TRP A 58 18.398 -8.432 -11.571 1.00 22.31 H new ATOM 0 HZ3 TRP A 58 16.314 -4.863 -12.631 1.00 51.33 H new ATOM 0 HH2 TRP A 58 16.648 -7.283 -12.844 1.00 44.25 H new ATOM 807 N LEU A 59 21.445 -0.468 -9.552 1.00 72.52 N ATOM 808 CA LEU A 59 21.648 0.961 -9.224 1.00 2.34 C ATOM 809 C LEU A 59 21.233 1.802 -10.361 1.00 2.33 C ATOM 810 O LEU A 59 20.458 2.716 -10.211 1.00 33.25 O ATOM 811 CB LEU A 59 23.098 1.288 -8.916 1.00 25.13 C ATOM 812 CG LEU A 59 23.595 0.969 -7.537 1.00 3.24 C ATOM 813 CD1 LEU A 59 22.864 1.795 -6.500 1.00 71.41 C ATOM 814 CD2 LEU A 59 23.490 -0.504 -7.261 1.00 14.23 C ATOM 0 H LEU A 59 22.288 -1.039 -9.488 1.00 72.52 H new ATOM 0 HA LEU A 59 21.046 1.162 -8.338 1.00 2.34 H new ATOM 0 HB2 LEU A 59 23.724 0.755 -9.632 1.00 25.13 H new ATOM 0 HB3 LEU A 59 23.249 2.353 -9.091 1.00 25.13 H new ATOM 0 HG LEU A 59 24.650 1.234 -7.477 1.00 3.24 H new ATOM 0 HD11 LEU A 59 23.240 1.548 -5.507 1.00 71.41 H new ATOM 0 HD12 LEU A 59 23.028 2.854 -6.697 1.00 71.41 H new ATOM 0 HD13 LEU A 59 21.797 1.578 -6.548 1.00 71.41 H new ATOM 0 HD21 LEU A 59 23.856 -0.713 -6.256 1.00 14.23 H new ATOM 0 HD22 LEU A 59 22.449 -0.816 -7.340 1.00 14.23 H new ATOM 0 HD23 LEU A 59 24.089 -1.054 -7.987 1.00 14.23 H new ATOM 826 N HIS A 60 21.731 1.441 -11.503 1.00 70.41 N ATOM 827 CA HIS A 60 21.456 2.082 -12.754 1.00 5.13 C ATOM 828 C HIS A 60 19.942 2.268 -12.993 1.00 61.00 C ATOM 829 O HIS A 60 19.515 3.243 -13.627 1.00 11.40 O ATOM 830 CB HIS A 60 22.093 1.220 -13.847 1.00 70.13 C ATOM 831 CG HIS A 60 21.652 1.535 -15.253 1.00 31.32 C ATOM 832 ND1 HIS A 60 20.910 0.673 -16.032 1.00 12.12 N ATOM 833 CD2 HIS A 60 21.808 2.656 -15.982 1.00 74.34 C ATOM 834 CE1 HIS A 60 20.634 1.286 -17.183 1.00 12.34 C ATOM 835 NE2 HIS A 60 21.152 2.504 -17.204 1.00 22.14 N ATOM 0 H HIS A 60 22.372 0.653 -11.593 1.00 70.41 H new ATOM 0 HA HIS A 60 21.877 3.088 -12.759 1.00 5.13 H new ATOM 0 HB2 HIS A 60 23.176 1.331 -13.790 1.00 70.13 H new ATOM 0 HB3 HIS A 60 21.869 0.174 -13.639 1.00 70.13 H new ATOM 0 HD2 HIS A 60 22.354 3.534 -15.670 1.00 74.34 H new ATOM 0 HE1 HIS A 60 20.065 0.848 -17.990 1.00 12.34 H new ATOM 0 HE2 HIS A 60 21.085 3.189 -17.957 1.00 22.14 H new ATOM 843 N TRP A 61 19.158 1.368 -12.486 1.00 44.12 N ATOM 844 CA TRP A 61 17.753 1.414 -12.684 1.00 33.54 C ATOM 845 C TRP A 61 17.081 2.358 -11.666 1.00 31.33 C ATOM 846 O TRP A 61 16.580 3.413 -12.050 1.00 74.15 O ATOM 847 CB TRP A 61 17.209 -0.004 -12.590 1.00 13.03 C ATOM 848 CG TRP A 61 15.763 -0.130 -12.933 1.00 74.51 C ATOM 849 CD1 TRP A 61 15.170 0.171 -14.124 1.00 23.04 C ATOM 850 CD2 TRP A 61 14.738 -0.625 -12.088 1.00 33.00 C ATOM 851 NE1 TRP A 61 13.828 -0.090 -14.058 1.00 2.44 N ATOM 852 CE2 TRP A 61 13.537 -0.584 -12.813 1.00 12.42 C ATOM 853 CE3 TRP A 61 14.720 -1.092 -10.785 1.00 41.02 C ATOM 854 CZ2 TRP A 61 12.329 -1.000 -12.270 1.00 11.15 C ATOM 855 CZ3 TRP A 61 13.527 -1.505 -10.245 1.00 5.33 C ATOM 856 CH2 TRP A 61 12.346 -1.456 -10.989 1.00 72.45 C ATOM 0 H TRP A 61 19.481 0.581 -11.923 1.00 44.12 H new ATOM 0 HA TRP A 61 17.528 1.818 -13.671 1.00 33.54 H new ATOM 0 HB2 TRP A 61 17.786 -0.647 -13.255 1.00 13.03 H new ATOM 0 HB3 TRP A 61 17.364 -0.374 -11.576 1.00 13.03 H new ATOM 0 HD1 TRP A 61 15.684 0.558 -14.991 1.00 23.04 H new ATOM 0 HE1 TRP A 61 13.156 0.059 -14.811 1.00 2.44 H new ATOM 0 HE3 TRP A 61 15.629 -1.131 -10.203 1.00 41.02 H new ATOM 0 HZ2 TRP A 61 11.413 -0.963 -12.841 1.00 11.15 H new ATOM 0 HZ3 TRP A 61 13.502 -1.873 -9.230 1.00 5.33 H new ATOM 0 HH2 TRP A 61 11.424 -1.788 -10.536 1.00 72.45 H new ATOM 867 N PHE A 62 17.186 2.045 -10.378 1.00 35.42 N ATOM 868 CA PHE A 62 16.515 2.852 -9.347 1.00 50.14 C ATOM 869 C PHE A 62 17.174 4.191 -9.042 1.00 13.31 C ATOM 870 O PHE A 62 16.509 5.116 -8.581 1.00 14.14 O ATOM 871 CB PHE A 62 16.106 2.071 -8.072 1.00 75.04 C ATOM 872 CG PHE A 62 17.022 0.968 -7.680 1.00 54.25 C ATOM 873 CD1 PHE A 62 18.250 1.210 -7.092 1.00 0.42 C ATOM 874 CD2 PHE A 62 16.651 -0.329 -7.940 1.00 45.42 C ATOM 875 CE1 PHE A 62 19.083 0.156 -6.772 1.00 72.42 C ATOM 876 CE2 PHE A 62 17.472 -1.371 -7.643 1.00 23.14 C ATOM 877 CZ PHE A 62 18.683 -1.139 -7.059 1.00 4.45 C ATOM 0 H PHE A 62 17.719 1.252 -10.020 1.00 35.42 H new ATOM 0 HA PHE A 62 15.574 3.113 -9.832 1.00 50.14 H new ATOM 0 HB2 PHE A 62 16.035 2.774 -7.242 1.00 75.04 H new ATOM 0 HB3 PHE A 62 15.109 1.656 -8.224 1.00 75.04 H new ATOM 0 HD1 PHE A 62 18.558 2.224 -6.883 1.00 0.42 H new ATOM 0 HD2 PHE A 62 15.688 -0.525 -8.389 1.00 45.42 H new ATOM 0 HE1 PHE A 62 20.038 0.340 -6.302 1.00 72.42 H new ATOM 0 HE2 PHE A 62 17.166 -2.382 -7.869 1.00 23.14 H new ATOM 0 HZ PHE A 62 19.332 -1.968 -6.820 1.00 4.45 H new ATOM 887 N ARG A 63 18.473 4.319 -9.297 1.00 71.43 N ATOM 888 CA ARG A 63 19.159 5.607 -9.091 1.00 52.54 C ATOM 889 C ARG A 63 18.543 6.676 -9.994 1.00 40.01 C ATOM 890 O ARG A 63 18.474 7.847 -9.629 1.00 74.04 O ATOM 891 CB ARG A 63 20.696 5.506 -9.329 1.00 15.50 C ATOM 892 CG ARG A 63 21.444 6.837 -9.236 1.00 1.22 C ATOM 893 CD ARG A 63 21.416 7.417 -7.830 1.00 34.24 C ATOM 894 NE ARG A 63 22.576 7.013 -7.005 1.00 5.03 N ATOM 895 CZ ARG A 63 23.154 7.805 -6.058 1.00 64.43 C ATOM 896 NH1 ARG A 63 22.808 9.076 -5.925 1.00 70.41 N ATOM 897 NH2 ARG A 63 24.083 7.334 -5.265 1.00 41.11 N ATOM 0 H ARG A 63 19.070 3.566 -9.641 1.00 71.43 H new ATOM 0 HA ARG A 63 19.020 5.890 -8.048 1.00 52.54 H new ATOM 0 HB2 ARG A 63 21.119 4.815 -8.600 1.00 15.50 H new ATOM 0 HB3 ARG A 63 20.870 5.075 -10.315 1.00 15.50 H new ATOM 0 HG2 ARG A 63 22.479 6.692 -9.547 1.00 1.22 H new ATOM 0 HG3 ARG A 63 21.000 7.550 -9.930 1.00 1.22 H new ATOM 0 HD2 ARG A 63 21.386 8.505 -7.894 1.00 34.24 H new ATOM 0 HD3 ARG A 63 20.499 7.102 -7.333 1.00 34.24 H new ATOM 0 HE ARG A 63 22.968 6.083 -7.154 1.00 5.03 H new ATOM 0 HH11 ARG A 63 22.098 9.478 -6.537 1.00 70.41 H new ATOM 0 HH12 ARG A 63 23.252 9.653 -5.211 1.00 70.41 H new ATOM 0 HH21 ARG A 63 24.383 6.363 -5.351 1.00 41.11 H new ATOM 0 HH22 ARG A 63 24.507 7.938 -4.561 1.00 41.11 H new ATOM 911 N LYS A 64 18.040 6.245 -11.144 1.00 51.11 N ATOM 912 CA LYS A 64 17.418 7.151 -12.080 1.00 41.22 C ATOM 913 C LYS A 64 15.991 7.467 -11.682 1.00 32.14 C ATOM 914 O LYS A 64 15.403 8.414 -12.177 1.00 0.11 O ATOM 915 CB LYS A 64 17.460 6.608 -13.496 1.00 71.44 C ATOM 916 CG LYS A 64 18.870 6.452 -14.032 1.00 70.35 C ATOM 917 CD LYS A 64 18.883 6.546 -15.539 1.00 33.45 C ATOM 918 CE LYS A 64 18.097 5.422 -16.218 1.00 4.32 C ATOM 919 NZ LYS A 64 18.718 4.090 -16.014 1.00 14.11 N ATOM 0 H LYS A 64 18.054 5.270 -11.444 1.00 51.11 H new ATOM 0 HA LYS A 64 17.994 8.076 -12.054 1.00 41.22 H new ATOM 0 HB2 LYS A 64 16.959 5.641 -13.523 1.00 71.44 H new ATOM 0 HB3 LYS A 64 16.900 7.275 -14.151 1.00 71.44 H new ATOM 0 HG2 LYS A 64 19.512 7.224 -13.609 1.00 70.35 H new ATOM 0 HG3 LYS A 64 19.279 5.491 -13.719 1.00 70.35 H new ATOM 0 HD2 LYS A 64 18.465 7.507 -15.841 1.00 33.45 H new ATOM 0 HD3 LYS A 64 19.915 6.523 -15.890 1.00 33.45 H new ATOM 0 HE2 LYS A 64 17.079 5.408 -15.828 1.00 4.32 H new ATOM 0 HE3 LYS A 64 18.026 5.627 -17.286 1.00 4.32 H new ATOM 0 HZ1 LYS A 64 18.060 3.348 -16.328 1.00 14.11 H new ATOM 0 HZ2 LYS A 64 19.597 4.029 -16.566 1.00 14.11 H new ATOM 0 HZ3 LYS A 64 18.933 3.958 -15.005 1.00 14.11 H new ATOM 933 N ASN A 65 15.447 6.677 -10.766 1.00 61.33 N ATOM 934 CA ASN A 65 14.086 6.895 -10.292 1.00 12.15 C ATOM 935 C ASN A 65 14.118 7.750 -9.028 1.00 75.33 C ATOM 936 O ASN A 65 13.089 8.045 -8.423 1.00 54.00 O ATOM 937 CB ASN A 65 13.312 5.568 -10.030 1.00 11.12 C ATOM 938 CG ASN A 65 13.232 4.639 -11.244 1.00 54.43 C ATOM 939 OD1 ASN A 65 13.384 5.068 -12.392 1.00 13.33 O ATOM 940 ND2 ASN A 65 12.900 3.387 -11.017 1.00 31.21 N ATOM 0 H ASN A 65 15.924 5.883 -10.338 1.00 61.33 H new ATOM 0 HA ASN A 65 13.546 7.415 -11.083 1.00 12.15 H new ATOM 0 HB2 ASN A 65 13.793 5.035 -9.210 1.00 11.12 H new ATOM 0 HB3 ASN A 65 12.300 5.809 -9.703 1.00 11.12 H new ATOM 0 HD21 ASN A 65 12.762 2.746 -11.799 1.00 31.21 H new ATOM 0 HD22 ASN A 65 12.780 3.057 -10.059 1.00 31.21 H new ATOM 947 N GLY A 66 15.323 8.146 -8.626 1.00 1.13 N ATOM 948 CA GLY A 66 15.470 9.025 -7.489 1.00 0.02 C ATOM 949 C GLY A 66 16.154 8.386 -6.297 1.00 64.22 C ATOM 950 O GLY A 66 16.500 9.079 -5.340 1.00 32.03 O ATOM 0 H GLY A 66 16.199 7.871 -9.071 1.00 1.13 H new ATOM 0 HA2 GLY A 66 16.040 9.903 -7.793 1.00 0.02 H new ATOM 0 HA3 GLY A 66 14.484 9.375 -7.184 1.00 0.02 H new ATOM 954 N TYR A 67 16.373 7.089 -6.351 1.00 41.21 N ATOM 955 CA TYR A 67 16.984 6.374 -5.231 1.00 74.21 C ATOM 956 C TYR A 67 18.469 6.598 -5.209 1.00 53.40 C ATOM 957 O TYR A 67 19.197 6.122 -6.078 1.00 53.42 O ATOM 958 CB TYR A 67 16.676 4.884 -5.290 1.00 11.12 C ATOM 959 CG TYR A 67 15.209 4.579 -5.215 1.00 62.21 C ATOM 960 CD1 TYR A 67 14.419 4.648 -6.340 1.00 64.14 C ATOM 961 CD2 TYR A 67 14.619 4.228 -4.023 1.00 64.21 C ATOM 962 CE1 TYR A 67 13.074 4.376 -6.285 1.00 34.34 C ATOM 963 CE2 TYR A 67 13.272 3.948 -3.948 1.00 3.14 C ATOM 964 CZ TYR A 67 12.503 4.023 -5.081 1.00 1.22 C ATOM 965 OH TYR A 67 11.165 3.744 -5.016 1.00 54.11 O ATOM 0 H TYR A 67 16.141 6.502 -7.152 1.00 41.21 H new ATOM 0 HA TYR A 67 16.555 6.771 -4.311 1.00 74.21 H new ATOM 0 HB2 TYR A 67 17.079 4.473 -6.216 1.00 11.12 H new ATOM 0 HB3 TYR A 67 17.187 4.381 -4.469 1.00 11.12 H new ATOM 0 HD1 TYR A 67 14.866 4.921 -7.285 1.00 64.14 H new ATOM 0 HD2 TYR A 67 15.223 4.171 -3.129 1.00 64.21 H new ATOM 0 HE1 TYR A 67 12.469 4.438 -7.177 1.00 34.34 H new ATOM 0 HE2 TYR A 67 12.825 3.672 -3.004 1.00 3.14 H new ATOM 0 HH TYR A 67 10.972 2.943 -5.547 1.00 54.11 H new ATOM 975 N ARG A 68 18.913 7.323 -4.238 1.00 14.11 N ATOM 976 CA ARG A 68 20.293 7.679 -4.133 1.00 54.25 C ATOM 977 C ARG A 68 21.033 6.643 -3.315 1.00 14.32 C ATOM 978 O ARG A 68 20.997 6.678 -2.108 1.00 54.52 O ATOM 979 CB ARG A 68 20.414 9.039 -3.477 1.00 45.34 C ATOM 980 CG ARG A 68 19.576 10.125 -4.134 1.00 12.11 C ATOM 981 CD ARG A 68 19.679 11.436 -3.381 1.00 22.44 C ATOM 982 NE ARG A 68 18.792 12.479 -3.941 1.00 30.21 N ATOM 983 CZ ARG A 68 18.940 13.804 -3.725 1.00 75.31 C ATOM 984 NH1 ARG A 68 19.967 14.258 -3.013 1.00 61.35 N ATOM 985 NH2 ARG A 68 18.049 14.669 -4.236 1.00 73.54 N ATOM 0 H ARG A 68 18.327 7.689 -3.488 1.00 14.11 H new ATOM 0 HA ARG A 68 20.732 7.719 -5.130 1.00 54.25 H new ATOM 0 HB2 ARG A 68 20.121 8.953 -2.431 1.00 45.34 H new ATOM 0 HB3 ARG A 68 21.460 9.345 -3.491 1.00 45.34 H new ATOM 0 HG2 ARG A 68 19.906 10.268 -5.163 1.00 12.11 H new ATOM 0 HG3 ARG A 68 18.534 9.808 -4.174 1.00 12.11 H new ATOM 0 HD2 ARG A 68 19.426 11.271 -2.334 1.00 22.44 H new ATOM 0 HD3 ARG A 68 20.710 11.787 -3.408 1.00 22.44 H new ATOM 0 HE ARG A 68 18.016 12.177 -4.530 1.00 30.21 H new ATOM 0 HH11 ARG A 68 20.648 13.605 -2.627 1.00 61.35 H new ATOM 0 HH12 ARG A 68 20.074 15.260 -2.853 1.00 61.35 H new ATOM 0 HH21 ARG A 68 17.262 14.325 -4.786 1.00 73.54 H new ATOM 0 HH22 ARG A 68 18.159 15.670 -4.074 1.00 73.54 H new ATOM 999 N LEU A 69 21.643 5.683 -3.979 1.00 21.54 N ATOM 1000 CA LEU A 69 22.378 4.646 -3.281 1.00 53.22 C ATOM 1001 C LEU A 69 23.789 4.554 -3.800 1.00 23.41 C ATOM 1002 O LEU A 69 24.030 4.620 -5.024 1.00 64.34 O ATOM 1003 CB LEU A 69 21.708 3.277 -3.458 1.00 3.02 C ATOM 1004 CG LEU A 69 20.211 3.169 -3.138 1.00 52.54 C ATOM 1005 CD1 LEU A 69 19.720 1.744 -3.354 1.00 52.13 C ATOM 1006 CD2 LEU A 69 19.926 3.617 -1.723 1.00 23.11 C ATOM 0 H LEU A 69 21.645 5.598 -4.995 1.00 21.54 H new ATOM 0 HA LEU A 69 22.386 4.913 -2.224 1.00 53.22 H new ATOM 0 HB2 LEU A 69 21.853 2.964 -4.492 1.00 3.02 H new ATOM 0 HB3 LEU A 69 22.238 2.561 -2.830 1.00 3.02 H new ATOM 0 HG LEU A 69 19.672 3.829 -3.818 1.00 52.54 H new ATOM 0 HD11 LEU A 69 18.656 1.687 -3.122 1.00 52.13 H new ATOM 0 HD12 LEU A 69 19.881 1.457 -4.393 1.00 52.13 H new ATOM 0 HD13 LEU A 69 20.271 1.067 -2.701 1.00 52.13 H new ATOM 0 HD21 LEU A 69 18.858 3.531 -1.522 1.00 23.11 H new ATOM 0 HD22 LEU A 69 20.479 2.989 -1.024 1.00 23.11 H new ATOM 0 HD23 LEU A 69 20.235 4.655 -1.601 1.00 23.11 H new ATOM 1018 N THR A 70 24.714 4.444 -2.900 1.00 54.22 N ATOM 1019 CA THR A 70 26.071 4.173 -3.241 1.00 43.02 C ATOM 1020 C THR A 70 26.230 2.672 -3.323 1.00 20.22 C ATOM 1021 O THR A 70 25.522 1.949 -2.642 1.00 51.31 O ATOM 1022 CB THR A 70 27.059 4.802 -2.226 1.00 40.50 C ATOM 1023 OG1 THR A 70 26.550 4.662 -0.890 1.00 40.35 O ATOM 1024 CG2 THR A 70 27.289 6.274 -2.534 1.00 32.02 C ATOM 0 H THR A 70 24.545 4.541 -1.899 1.00 54.22 H new ATOM 0 HA THR A 70 26.311 4.627 -4.202 1.00 43.02 H new ATOM 0 HB THR A 70 28.010 4.277 -2.308 1.00 40.50 H new ATOM 0 HG1 THR A 70 26.969 3.887 -0.460 1.00 40.35 H new ATOM 0 HG21 THR A 70 27.986 6.693 -1.808 1.00 32.02 H new ATOM 0 HG22 THR A 70 27.705 6.375 -3.536 1.00 32.02 H new ATOM 0 HG23 THR A 70 26.341 6.810 -2.478 1.00 32.02 H new ATOM 1032 N LEU A 71 27.160 2.200 -4.125 1.00 64.04 N ATOM 1033 CA LEU A 71 27.272 0.764 -4.414 1.00 43.12 C ATOM 1034 C LEU A 71 27.575 -0.049 -3.167 1.00 10.24 C ATOM 1035 O LEU A 71 27.153 -1.191 -3.020 1.00 60.34 O ATOM 1036 CB LEU A 71 28.337 0.458 -5.477 1.00 0.51 C ATOM 1037 CG LEU A 71 28.224 1.180 -6.832 1.00 3.51 C ATOM 1038 CD1 LEU A 71 26.807 1.206 -7.301 1.00 35.31 C ATOM 1039 CD2 LEU A 71 28.758 2.571 -6.776 1.00 42.21 C ATOM 0 H LEU A 71 27.855 2.780 -4.595 1.00 64.04 H new ATOM 0 HA LEU A 71 26.296 0.474 -4.803 1.00 43.12 H new ATOM 0 HB2 LEU A 71 29.313 0.694 -5.052 1.00 0.51 H new ATOM 0 HB3 LEU A 71 28.323 -0.615 -5.667 1.00 0.51 H new ATOM 0 HG LEU A 71 28.831 0.616 -7.540 1.00 3.51 H new ATOM 0 HD11 LEU A 71 26.751 1.721 -8.260 1.00 35.31 H new ATOM 0 HD12 LEU A 71 26.443 0.185 -7.415 1.00 35.31 H new ATOM 0 HD13 LEU A 71 26.192 1.731 -6.571 1.00 35.31 H new ATOM 0 HD21 LEU A 71 28.657 3.039 -7.755 1.00 42.21 H new ATOM 0 HD22 LEU A 71 28.198 3.146 -6.039 1.00 42.21 H new ATOM 0 HD23 LEU A 71 29.810 2.546 -6.493 1.00 42.21 H new ATOM 1051 N ARG A 72 28.239 0.606 -2.257 1.00 1.32 N ATOM 1052 CA ARG A 72 28.742 0.025 -1.014 1.00 13.12 C ATOM 1053 C ARG A 72 27.616 -0.550 -0.177 1.00 71.25 C ATOM 1054 O ARG A 72 27.773 -1.603 0.425 1.00 30.44 O ATOM 1055 CB ARG A 72 29.437 1.115 -0.189 1.00 2.02 C ATOM 1056 CG ARG A 72 30.001 0.626 1.137 1.00 0.11 C ATOM 1057 CD ARG A 72 30.242 1.774 2.115 1.00 64.31 C ATOM 1058 NE ARG A 72 28.974 2.422 2.517 1.00 33.41 N ATOM 1059 CZ ARG A 72 28.702 2.974 3.705 1.00 71.13 C ATOM 1060 NH1 ARG A 72 29.647 3.038 4.657 1.00 1.10 N ATOM 1061 NH2 ARG A 72 27.482 3.464 3.939 1.00 73.01 N ATOM 0 H ARG A 72 28.461 1.597 -2.351 1.00 1.32 H new ATOM 0 HA ARG A 72 29.436 -0.774 -1.276 1.00 13.12 H new ATOM 0 HB2 ARG A 72 30.247 1.542 -0.780 1.00 2.02 H new ATOM 0 HB3 ARG A 72 28.726 1.918 0.005 1.00 2.02 H new ATOM 0 HG2 ARG A 72 29.311 -0.091 1.582 1.00 0.11 H new ATOM 0 HG3 ARG A 72 30.938 0.098 0.960 1.00 0.11 H new ATOM 0 HD2 ARG A 72 30.755 1.397 3.000 1.00 64.31 H new ATOM 0 HD3 ARG A 72 30.899 2.512 1.655 1.00 64.31 H new ATOM 0 HE ARG A 72 28.232 2.451 1.818 1.00 33.41 H new ATOM 0 HH11 ARG A 72 30.579 2.664 4.477 1.00 1.10 H new ATOM 0 HH12 ARG A 72 29.433 3.460 5.561 1.00 1.10 H new ATOM 0 HH21 ARG A 72 26.765 3.416 3.215 1.00 73.01 H new ATOM 0 HH22 ARG A 72 27.267 3.886 4.842 1.00 73.01 H new ATOM 1075 N GLU A 73 26.483 0.126 -0.184 1.00 72.12 N ATOM 1076 CA GLU A 73 25.384 -0.219 0.691 1.00 74.34 C ATOM 1077 C GLU A 73 24.853 -1.599 0.341 1.00 54.31 C ATOM 1078 O GLU A 73 24.545 -2.421 1.207 1.00 23.42 O ATOM 1079 CB GLU A 73 24.241 0.786 0.562 1.00 40.31 C ATOM 1080 CG GLU A 73 24.665 2.216 0.329 1.00 14.30 C ATOM 1081 CD GLU A 73 25.661 2.781 1.304 1.00 5.44 C ATOM 1082 OE1 GLU A 73 25.270 3.318 2.351 1.00 63.51 O ATOM 1083 OE2 GLU A 73 26.873 2.763 0.981 1.00 50.22 O ATOM 0 H GLU A 73 26.301 0.924 -0.793 1.00 72.12 H new ATOM 0 HA GLU A 73 25.760 -0.206 1.714 1.00 74.34 H new ATOM 0 HB2 GLU A 73 23.597 0.476 -0.261 1.00 40.31 H new ATOM 0 HB3 GLU A 73 23.639 0.746 1.470 1.00 40.31 H new ATOM 0 HG2 GLU A 73 25.087 2.289 -0.673 1.00 14.30 H new ATOM 0 HG3 GLU A 73 23.775 2.844 0.346 1.00 14.30 H new ATOM 1090 N LEU A 74 24.831 -1.860 -0.952 1.00 74.42 N ATOM 1091 CA LEU A 74 24.258 -3.063 -1.493 1.00 42.14 C ATOM 1092 C LEU A 74 25.249 -4.210 -1.434 1.00 55.10 C ATOM 1093 O LEU A 74 24.867 -5.372 -1.478 1.00 64.24 O ATOM 1094 CB LEU A 74 23.761 -2.830 -2.930 1.00 71.22 C ATOM 1095 CG LEU A 74 22.839 -1.615 -3.119 1.00 3.32 C ATOM 1096 CD1 LEU A 74 23.623 -0.360 -3.457 1.00 2.53 C ATOM 1097 CD2 LEU A 74 21.744 -1.876 -4.122 1.00 65.41 C ATOM 0 H LEU A 74 25.216 -1.232 -1.658 1.00 74.42 H new ATOM 0 HA LEU A 74 23.399 -3.336 -0.881 1.00 42.14 H new ATOM 0 HB2 LEU A 74 24.627 -2.713 -3.581 1.00 71.22 H new ATOM 0 HB3 LEU A 74 23.231 -3.722 -3.262 1.00 71.22 H new ATOM 0 HG LEU A 74 22.350 -1.443 -2.160 1.00 3.32 H new ATOM 0 HD11 LEU A 74 22.935 0.476 -3.583 1.00 2.53 H new ATOM 0 HD12 LEU A 74 24.320 -0.138 -2.649 1.00 2.53 H new ATOM 0 HD13 LEU A 74 24.178 -0.516 -4.382 1.00 2.53 H new ATOM 0 HD21 LEU A 74 21.120 -0.987 -4.219 1.00 65.41 H new ATOM 0 HD22 LEU A 74 22.186 -2.117 -5.089 1.00 65.41 H new ATOM 0 HD23 LEU A 74 21.133 -2.713 -3.784 1.00 65.41 H new ATOM 1109 N TYR A 75 26.516 -3.864 -1.332 1.00 13.21 N ATOM 1110 CA TYR A 75 27.587 -4.841 -1.189 1.00 71.32 C ATOM 1111 C TYR A 75 27.736 -5.267 0.243 1.00 30.50 C ATOM 1112 O TYR A 75 28.094 -6.405 0.522 1.00 63.43 O ATOM 1113 CB TYR A 75 28.916 -4.263 -1.674 1.00 42.44 C ATOM 1114 CG TYR A 75 29.107 -4.317 -3.153 1.00 72.30 C ATOM 1115 CD1 TYR A 75 29.074 -5.529 -3.826 1.00 31.15 C ATOM 1116 CD2 TYR A 75 29.320 -3.169 -3.878 1.00 32.41 C ATOM 1117 CE1 TYR A 75 29.252 -5.578 -5.197 1.00 34.13 C ATOM 1118 CE2 TYR A 75 29.499 -3.208 -5.239 1.00 14.11 C ATOM 1119 CZ TYR A 75 29.462 -4.412 -5.892 1.00 3.22 C ATOM 1120 OH TYR A 75 29.650 -4.451 -7.239 1.00 1.44 O ATOM 0 H TYR A 75 26.837 -2.896 -1.345 1.00 13.21 H new ATOM 0 HA TYR A 75 27.323 -5.706 -1.797 1.00 71.32 H new ATOM 0 HB2 TYR A 75 28.988 -3.225 -1.348 1.00 42.44 H new ATOM 0 HB3 TYR A 75 29.731 -4.805 -1.194 1.00 42.44 H new ATOM 0 HD1 TYR A 75 28.908 -6.443 -3.275 1.00 31.15 H new ATOM 0 HD2 TYR A 75 29.347 -2.218 -3.367 1.00 32.41 H new ATOM 0 HE1 TYR A 75 29.226 -6.525 -5.716 1.00 34.13 H new ATOM 0 HE2 TYR A 75 29.668 -2.295 -5.791 1.00 14.11 H new ATOM 0 HH TYR A 75 29.784 -3.541 -7.577 1.00 1.44 H new ATOM 1130 N ALA A 76 27.476 -4.347 1.149 1.00 34.35 N ATOM 1131 CA ALA A 76 27.632 -4.623 2.552 1.00 71.51 C ATOM 1132 C ALA A 76 26.544 -5.566 3.046 1.00 22.10 C ATOM 1133 O ALA A 76 26.811 -6.495 3.806 1.00 71.05 O ATOM 1134 CB ALA A 76 27.657 -3.337 3.364 1.00 54.55 C ATOM 0 H ALA A 76 27.156 -3.403 0.933 1.00 34.35 H new ATOM 0 HA ALA A 76 28.592 -5.120 2.691 1.00 71.51 H new ATOM 0 HB1 ALA A 76 27.776 -3.576 4.421 1.00 54.55 H new ATOM 0 HB2 ALA A 76 28.491 -2.716 3.036 1.00 54.55 H new ATOM 0 HB3 ALA A 76 26.722 -2.796 3.217 1.00 54.55 H new ATOM 1140 N ALA A 77 25.328 -5.332 2.613 1.00 21.20 N ATOM 1141 CA ALA A 77 24.233 -6.191 2.980 1.00 1.11 C ATOM 1142 C ALA A 77 23.421 -6.570 1.748 1.00 2.45 C ATOM 1143 O ALA A 77 22.406 -5.945 1.445 1.00 24.10 O ATOM 1144 CB ALA A 77 23.355 -5.544 4.047 1.00 44.51 C ATOM 0 H ALA A 77 25.074 -4.553 2.006 1.00 21.20 H new ATOM 0 HA ALA A 77 24.644 -7.104 3.411 1.00 1.11 H new ATOM 0 HB1 ALA A 77 22.537 -6.218 4.303 1.00 44.51 H new ATOM 0 HB2 ALA A 77 23.952 -5.344 4.937 1.00 44.51 H new ATOM 0 HB3 ALA A 77 22.948 -4.608 3.665 1.00 44.51 H new ATOM 1150 N PRO A 78 23.881 -7.564 0.979 1.00 13.41 N ATOM 1151 CA PRO A 78 23.206 -7.986 -0.225 1.00 32.42 C ATOM 1152 C PRO A 78 22.089 -8.964 0.059 1.00 51.11 C ATOM 1153 O PRO A 78 22.291 -10.177 0.074 1.00 63.11 O ATOM 1154 CB PRO A 78 24.314 -8.650 -1.057 1.00 15.12 C ATOM 1155 CG PRO A 78 25.554 -8.586 -0.205 1.00 22.33 C ATOM 1156 CD PRO A 78 25.097 -8.337 1.195 1.00 63.21 C ATOM 0 HA PRO A 78 22.728 -7.150 -0.736 1.00 32.42 H new ATOM 0 HB2 PRO A 78 24.058 -9.681 -1.299 1.00 15.12 H new ATOM 0 HB3 PRO A 78 24.461 -8.128 -2.002 1.00 15.12 H new ATOM 0 HG2 PRO A 78 26.117 -9.517 -0.269 1.00 22.33 H new ATOM 0 HG3 PRO A 78 26.216 -7.789 -0.544 1.00 22.33 H new ATOM 0 HD2 PRO A 78 24.901 -9.265 1.732 1.00 63.21 H new ATOM 0 HD3 PRO A 78 25.836 -7.783 1.774 1.00 63.21 H new ATOM 1164 N THR A 79 20.937 -8.417 0.318 1.00 60.32 N ATOM 1165 CA THR A 79 19.717 -9.134 0.588 1.00 31.13 C ATOM 1166 C THR A 79 18.613 -8.201 0.145 1.00 24.34 C ATOM 1167 O THR A 79 18.775 -6.985 0.288 1.00 52.13 O ATOM 1168 CB THR A 79 19.539 -9.402 2.127 1.00 60.24 C ATOM 1169 OG1 THR A 79 19.644 -8.171 2.844 1.00 24.20 O ATOM 1170 CG2 THR A 79 20.567 -10.373 2.681 1.00 73.22 C ATOM 0 H THR A 79 20.813 -7.405 0.349 1.00 60.32 H new ATOM 0 HA THR A 79 19.714 -10.098 0.079 1.00 31.13 H new ATOM 0 HB THR A 79 18.554 -9.850 2.255 1.00 60.24 H new ATOM 0 HG1 THR A 79 19.107 -8.222 3.662 1.00 24.20 H new ATOM 0 HG21 THR A 79 20.393 -10.518 3.747 1.00 73.22 H new ATOM 0 HG22 THR A 79 20.479 -11.329 2.166 1.00 73.22 H new ATOM 0 HG23 THR A 79 21.568 -9.969 2.528 1.00 73.22 H new ATOM 1178 N LEU A 80 17.523 -8.698 -0.391 1.00 44.30 N ATOM 1179 CA LEU A 80 16.451 -7.792 -0.796 1.00 5.42 C ATOM 1180 C LEU A 80 15.795 -7.175 0.399 1.00 62.34 C ATOM 1181 O LEU A 80 15.291 -6.046 0.353 1.00 40.15 O ATOM 1182 CB LEU A 80 15.448 -8.448 -1.699 1.00 2.30 C ATOM 1183 CG LEU A 80 16.001 -8.851 -3.049 1.00 21.01 C ATOM 1184 CD1 LEU A 80 14.934 -9.471 -3.884 1.00 53.02 C ATOM 1185 CD2 LEU A 80 16.587 -7.672 -3.821 1.00 30.32 C ATOM 0 H LEU A 80 17.348 -9.689 -0.557 1.00 44.30 H new ATOM 0 HA LEU A 80 16.911 -6.996 -1.381 1.00 5.42 H new ATOM 0 HB2 LEU A 80 15.052 -9.333 -1.202 1.00 2.30 H new ATOM 0 HB3 LEU A 80 14.611 -7.766 -1.850 1.00 2.30 H new ATOM 0 HG LEU A 80 16.800 -9.565 -2.849 1.00 21.01 H new ATOM 0 HD11 LEU A 80 15.348 -9.755 -4.851 1.00 53.02 H new ATOM 0 HD12 LEU A 80 14.547 -10.357 -3.381 1.00 53.02 H new ATOM 0 HD13 LEU A 80 14.125 -8.755 -4.032 1.00 53.02 H new ATOM 0 HD21 LEU A 80 16.969 -8.019 -4.781 1.00 30.32 H new ATOM 0 HD22 LEU A 80 15.811 -6.925 -3.988 1.00 30.32 H new ATOM 0 HD23 LEU A 80 17.400 -7.229 -3.246 1.00 30.32 H new ATOM 1197 N ALA A 81 15.852 -7.896 1.474 1.00 70.43 N ATOM 1198 CA ALA A 81 15.371 -7.405 2.762 1.00 35.34 C ATOM 1199 C ALA A 81 16.067 -6.078 3.113 1.00 70.13 C ATOM 1200 O ALA A 81 15.406 -5.068 3.395 1.00 54.54 O ATOM 1201 CB ALA A 81 15.602 -8.433 3.860 1.00 70.53 C ATOM 0 H ALA A 81 16.230 -8.843 1.502 1.00 70.43 H new ATOM 0 HA ALA A 81 14.297 -7.233 2.685 1.00 35.34 H new ATOM 0 HB1 ALA A 81 15.234 -8.041 4.808 1.00 70.53 H new ATOM 0 HB2 ALA A 81 15.069 -9.352 3.616 1.00 70.53 H new ATOM 0 HB3 ALA A 81 16.668 -8.643 3.943 1.00 70.53 H new ATOM 1207 N ALA A 82 17.396 -6.065 3.030 1.00 50.11 N ATOM 1208 CA ALA A 82 18.155 -4.865 3.325 1.00 70.13 C ATOM 1209 C ALA A 82 18.083 -3.867 2.182 1.00 62.50 C ATOM 1210 O ALA A 82 18.023 -2.671 2.423 1.00 22.14 O ATOM 1211 CB ALA A 82 19.600 -5.183 3.661 1.00 2.13 C ATOM 0 H ALA A 82 17.961 -6.870 2.762 1.00 50.11 H new ATOM 0 HA ALA A 82 17.698 -4.410 4.204 1.00 70.13 H new ATOM 0 HB1 ALA A 82 20.136 -4.258 3.876 1.00 2.13 H new ATOM 0 HB2 ALA A 82 19.636 -5.834 4.534 1.00 2.13 H new ATOM 0 HB3 ALA A 82 20.068 -5.685 2.815 1.00 2.13 H new ATOM 1217 N TRP A 83 18.060 -4.353 0.939 1.00 64.43 N ATOM 1218 CA TRP A 83 17.988 -3.462 -0.230 1.00 53.40 C ATOM 1219 C TRP A 83 16.690 -2.667 -0.261 1.00 5.13 C ATOM 1220 O TRP A 83 16.665 -1.549 -0.747 1.00 14.04 O ATOM 1221 CB TRP A 83 18.200 -4.195 -1.565 1.00 71.31 C ATOM 1222 CG TRP A 83 19.594 -4.708 -1.824 1.00 15.14 C ATOM 1223 CD1 TRP A 83 20.627 -4.811 -0.940 1.00 55.11 C ATOM 1224 CD2 TRP A 83 20.092 -5.199 -3.074 1.00 53.23 C ATOM 1225 NE1 TRP A 83 21.731 -5.332 -1.562 1.00 2.54 N ATOM 1226 CE2 TRP A 83 21.428 -5.582 -2.873 1.00 71.24 C ATOM 1227 CE3 TRP A 83 19.531 -5.349 -4.344 1.00 63.31 C ATOM 1228 CZ2 TRP A 83 22.215 -6.111 -3.894 1.00 4.31 C ATOM 1229 CZ3 TRP A 83 20.310 -5.872 -5.358 1.00 24.43 C ATOM 1230 CH2 TRP A 83 21.637 -6.248 -5.128 1.00 11.14 C ATOM 0 H TRP A 83 18.090 -5.347 0.713 1.00 64.43 H new ATOM 0 HA TRP A 83 18.817 -2.764 -0.113 1.00 53.40 H new ATOM 0 HB2 TRP A 83 17.510 -5.038 -1.607 1.00 71.31 H new ATOM 0 HB3 TRP A 83 17.927 -3.519 -2.375 1.00 71.31 H new ATOM 0 HD1 TRP A 83 20.582 -4.523 0.100 1.00 55.11 H new ATOM 0 HE1 TRP A 83 22.633 -5.506 -1.119 1.00 2.54 H new ATOM 0 HE3 TRP A 83 18.507 -5.061 -4.530 1.00 63.31 H new ATOM 0 HZ2 TRP A 83 23.240 -6.402 -3.719 1.00 4.31 H new ATOM 0 HZ3 TRP A 83 19.887 -5.992 -6.344 1.00 24.43 H new ATOM 0 HH2 TRP A 83 22.219 -6.655 -5.941 1.00 11.14 H new ATOM 1241 N ASN A 84 15.626 -3.233 0.289 1.00 62.23 N ATOM 1242 CA ASN A 84 14.337 -2.534 0.363 1.00 52.12 C ATOM 1243 C ASN A 84 14.479 -1.349 1.298 1.00 14.41 C ATOM 1244 O ASN A 84 14.074 -0.229 0.979 1.00 42.52 O ATOM 1245 CB ASN A 84 13.233 -3.492 0.846 1.00 41.43 C ATOM 1246 CG ASN A 84 11.838 -2.875 0.868 1.00 71.33 C ATOM 1247 OD1 ASN A 84 11.511 -1.990 0.087 1.00 72.13 O ATOM 1248 ND2 ASN A 84 11.001 -3.361 1.752 1.00 0.23 N ATOM 0 H ASN A 84 15.622 -4.170 0.691 1.00 62.23 H new ATOM 0 HA ASN A 84 14.051 -2.178 -0.627 1.00 52.12 H new ATOM 0 HB2 ASN A 84 13.220 -4.370 0.200 1.00 41.43 H new ATOM 0 HB3 ASN A 84 13.481 -3.839 1.849 1.00 41.43 H new ATOM 0 HD21 ASN A 84 10.048 -3.002 1.803 1.00 0.23 H new ATOM 0 HD22 ASN A 84 11.303 -4.098 2.389 1.00 0.23 H new ATOM 1255 N GLN A 85 15.137 -1.595 2.424 1.00 12.03 N ATOM 1256 CA GLN A 85 15.428 -0.563 3.399 1.00 71.13 C ATOM 1257 C GLN A 85 16.373 0.466 2.768 1.00 10.11 C ATOM 1258 O GLN A 85 16.223 1.673 2.966 1.00 61.34 O ATOM 1259 CB GLN A 85 16.067 -1.190 4.641 1.00 2.13 C ATOM 1260 CG GLN A 85 16.423 -0.200 5.735 1.00 15.01 C ATOM 1261 CD GLN A 85 17.090 -0.866 6.919 1.00 60.13 C ATOM 1262 OE1 GLN A 85 16.440 -1.290 7.853 1.00 51.22 O ATOM 1263 NE2 GLN A 85 18.396 -0.972 6.878 1.00 65.13 N ATOM 0 H GLN A 85 15.483 -2.519 2.683 1.00 12.03 H new ATOM 0 HA GLN A 85 14.507 -0.065 3.701 1.00 71.13 H new ATOM 0 HB2 GLN A 85 15.383 -1.933 5.050 1.00 2.13 H new ATOM 0 HB3 GLN A 85 16.971 -1.720 4.340 1.00 2.13 H new ATOM 0 HG2 GLN A 85 17.087 0.563 5.329 1.00 15.01 H new ATOM 0 HG3 GLN A 85 15.519 0.309 6.069 1.00 15.01 H new ATOM 0 HE21 GLN A 85 18.913 -0.605 6.079 1.00 65.13 H new ATOM 0 HE22 GLN A 85 18.896 -1.421 7.645 1.00 65.13 H new ATOM 1272 N LEU A 86 17.336 -0.033 1.993 1.00 10.21 N ATOM 1273 CA LEU A 86 18.262 0.814 1.276 1.00 53.33 C ATOM 1274 C LEU A 86 17.525 1.747 0.351 1.00 22.34 C ATOM 1275 O LEU A 86 17.657 2.943 0.448 1.00 15.25 O ATOM 1276 CB LEU A 86 19.272 0.005 0.465 1.00 61.32 C ATOM 1277 CG LEU A 86 20.280 -0.803 1.260 1.00 62.33 C ATOM 1278 CD1 LEU A 86 21.178 -1.568 0.327 1.00 44.20 C ATOM 1279 CD2 LEU A 86 21.119 0.108 2.114 1.00 62.44 C ATOM 0 H LEU A 86 17.488 -1.032 1.851 1.00 10.21 H new ATOM 0 HA LEU A 86 18.804 1.388 2.027 1.00 53.33 H new ATOM 0 HB2 LEU A 86 18.722 -0.677 -0.184 1.00 61.32 H new ATOM 0 HB3 LEU A 86 19.818 0.691 -0.183 1.00 61.32 H new ATOM 0 HG LEU A 86 19.737 -1.500 1.899 1.00 62.33 H new ATOM 0 HD11 LEU A 86 21.898 -2.145 0.907 1.00 44.20 H new ATOM 0 HD12 LEU A 86 20.578 -2.244 -0.283 1.00 44.20 H new ATOM 0 HD13 LEU A 86 21.709 -0.870 -0.320 1.00 44.20 H new ATOM 0 HD21 LEU A 86 21.838 -0.484 2.680 1.00 62.44 H new ATOM 0 HD22 LEU A 86 21.651 0.815 1.478 1.00 62.44 H new ATOM 0 HD23 LEU A 86 20.476 0.654 2.804 1.00 62.44 H new ATOM 1291 N MET A 87 16.724 1.186 -0.504 1.00 23.15 N ATOM 1292 CA MET A 87 15.991 1.947 -1.480 1.00 12.33 C ATOM 1293 C MET A 87 15.099 3.009 -0.856 1.00 55.34 C ATOM 1294 O MET A 87 15.266 4.189 -1.133 1.00 14.11 O ATOM 1295 CB MET A 87 15.217 1.023 -2.426 1.00 10.21 C ATOM 1296 CG MET A 87 16.128 0.270 -3.392 1.00 23.33 C ATOM 1297 SD MET A 87 15.286 -0.994 -4.363 1.00 72.05 S ATOM 1298 CE MET A 87 13.999 -0.051 -5.169 1.00 52.32 C ATOM 0 H MET A 87 16.557 0.181 -0.547 1.00 23.15 H new ATOM 0 HA MET A 87 16.724 2.493 -2.074 1.00 12.33 H new ATOM 0 HB2 MET A 87 14.645 0.305 -1.838 1.00 10.21 H new ATOM 0 HB3 MET A 87 14.499 1.613 -2.996 1.00 10.21 H new ATOM 0 HG2 MET A 87 16.591 0.986 -4.071 1.00 23.33 H new ATOM 0 HG3 MET A 87 16.933 -0.198 -2.825 1.00 23.33 H new ATOM 0 HE1 MET A 87 13.531 -0.661 -5.942 1.00 52.32 H new ATOM 0 HE2 MET A 87 13.249 0.243 -4.435 1.00 52.32 H new ATOM 0 HE3 MET A 87 14.431 0.841 -5.623 1.00 52.32 H new ATOM 1308 N LEU A 88 14.216 2.628 0.023 1.00 25.50 N ATOM 1309 CA LEU A 88 13.297 3.600 0.544 1.00 21.44 C ATOM 1310 C LEU A 88 13.794 4.505 1.674 1.00 64.14 C ATOM 1311 O LEU A 88 13.306 5.618 1.820 1.00 4.32 O ATOM 1312 CB LEU A 88 11.911 3.047 0.743 1.00 51.10 C ATOM 1313 CG LEU A 88 11.768 1.741 1.452 1.00 40.04 C ATOM 1314 CD1 LEU A 88 12.020 1.895 2.928 1.00 44.43 C ATOM 1315 CD2 LEU A 88 10.412 1.203 1.152 1.00 12.14 C ATOM 0 H LEU A 88 14.113 1.680 0.386 1.00 25.50 H new ATOM 0 HA LEU A 88 13.226 4.324 -0.267 1.00 21.44 H new ATOM 0 HB2 LEU A 88 11.332 3.789 1.292 1.00 51.10 H new ATOM 0 HB3 LEU A 88 11.449 2.945 -0.239 1.00 51.10 H new ATOM 0 HG LEU A 88 12.516 1.030 1.101 1.00 40.04 H new ATOM 0 HD11 LEU A 88 11.909 0.928 3.419 1.00 44.43 H new ATOM 0 HD12 LEU A 88 13.031 2.269 3.087 1.00 44.43 H new ATOM 0 HD13 LEU A 88 11.302 2.600 3.348 1.00 44.43 H new ATOM 0 HD21 LEU A 88 10.280 0.247 1.658 1.00 12.14 H new ATOM 0 HD22 LEU A 88 9.656 1.906 1.501 1.00 12.14 H new ATOM 0 HD23 LEU A 88 10.306 1.062 0.076 1.00 12.14 H new