ATOM 1 N TYR A 1 -13.191 6.643 2.082 1.00 23.15 N1+ ATOM 2 CA TYR A 1 -11.780 6.336 2.283 1.00 64.10 C ATOM 3 C TYR A 1 -11.592 4.881 2.699 1.00 31.52 C ATOM 4 O TYR A 1 -12.395 4.330 3.452 1.00 53.41 O ATOM 5 CB TYR A 1 -11.179 7.263 3.342 1.00 73.22 C ATOM 6 CG TYR A 1 -9.736 6.955 3.668 1.00 2.22 C ATOM 7 CD1 TYR A 1 -9.407 6.014 4.635 1.00 24.34 C ATOM 8 CD2 TYR A 1 -8.700 7.606 3.009 1.00 21.13 C ATOM 9 CE1 TYR A 1 -8.089 5.730 4.938 1.00 63.42 C ATOM 10 CE2 TYR A 1 -7.380 7.328 3.303 1.00 63.51 C ATOM 11 CZ TYR A 1 -7.079 6.389 4.268 1.00 40.21 C ATOM 12 OH TYR A 1 -5.765 6.110 4.565 1.00 63.22 O ATOM 13 H1 TYR A 1 -13.557 7.472 2.457 1.00 71.55 H ATOM 14 HA TYR A 1 -11.268 6.499 1.345 1.00 40.30 H ATOM 15 HB3 TYR A 1 -11.752 7.173 4.254 1.00 63.15 H ATOM 16 HD1 TYR A 1 -10.200 5.499 5.158 1.00 34.40 H ATOM 17 HD2 TYR A 1 -8.939 8.342 2.254 1.00 73.31 H ATOM 18 HE1 TYR A 1 -7.853 4.995 5.693 1.00 72.42 H ATOM 19 HE2 TYR A 1 -6.589 7.844 2.779 1.00 23.15 H ATOM 20 HH TYR A 1 -5.559 6.438 5.444 1.00 63.04 H ATOM 21 N ARG A 2 -10.524 4.263 2.203 1.00 52.12 N ATOM 22 CA ARG A 2 -10.231 2.871 2.523 1.00 63.33 C ATOM 23 C ARG A 2 -8.771 2.541 2.223 1.00 42.21 C ATOM 24 O ARG A 2 -8.173 3.105 1.306 1.00 2.43 O ATOM 25 CB ARG A 2 -11.148 1.939 1.729 1.00 72.11 C ATOM 26 CG ARG A 2 -11.167 0.513 2.253 1.00 32.41 C ATOM 27 CD ARG A 2 -11.140 -0.499 1.118 1.00 33.01 C ATOM 28 NE ARG A 2 -11.834 -1.735 1.469 1.00 15.44 N ATOM 29 CZ ARG A 2 -13.157 -1.862 1.465 1.00 23.11 C ATOM 30 NH1 ARG A 2 -13.924 -0.834 1.128 1.00 31.33 N ATOM 31 NH2 ARG A 2 -13.713 -3.020 1.797 1.00 75.12 N ATOM 32 H ARG A 2 -9.921 4.754 1.609 1.00 45.44 H ATOM 33 HA ARG A 2 -10.410 2.728 3.577 1.00 73.24 H ATOM 34 HB3 ARG A 2 -10.818 1.917 0.702 1.00 52.43 H ATOM 35 HG3 ARG A 2 -12.064 0.365 2.835 1.00 34.02 H ATOM 36 HD3 ARG A 2 -10.113 -0.728 0.882 1.00 24.11 H ATOM 37 HE ARG A 2 -11.287 -2.507 1.722 1.00 44.55 H ATOM 38 HH11 ARG A 2 -13.507 0.038 0.877 1.00 63.05 H ATOM 39 HH12 ARG A 2 -14.919 -0.933 1.124 1.00 34.43 H ATOM 40 HH21 ARG A 2 -13.138 -3.797 2.051 1.00 75.25 H ATOM 41 HH22 ARG A 2 -14.709 -3.114 1.794 1.00 71.40 H ATOM 42 N GLN A 3 -8.205 1.625 3.002 1.00 42.21 N ATOM 43 CA GLN A 3 -6.816 1.222 2.819 1.00 25.14 C ATOM 44 C GLN A 3 -6.540 -0.111 3.509 1.00 51.52 C ATOM 45 O GLN A 3 -7.409 -0.661 4.186 1.00 5.34 O ATOM 46 CB GLN A 3 -5.874 2.296 3.368 1.00 10.44 C ATOM 47 CG GLN A 3 -5.405 3.288 2.316 1.00 43.31 C ATOM 48 CD GLN A 3 -4.033 3.857 2.621 1.00 23.14 C ATOM 49 OE1 GLN A 3 -3.856 4.599 3.588 1.00 33.10 O ATOM 50 NE2 GLN A 3 -3.052 3.511 1.796 1.00 23.34 N ATOM 51 H GLN A 3 -8.733 1.212 3.714 1.00 24.24 H ATOM 52 HA GLN A 3 -6.639 1.108 1.761 1.00 43.32 H ATOM 53 HB3 GLN A 3 -5.005 1.815 3.791 1.00 70.22 H ATOM 54 HG3 GLN A 3 -6.113 4.102 2.266 1.00 51.00 H ATOM 55 HE21 GLN A 3 -3.266 2.916 1.046 1.00 5.40 H ATOM 56 HE22 GLN A 3 -2.155 3.864 1.969 1.00 34.23 H ATOM 57 N SER A 4 -5.328 -0.625 3.330 1.00 3.14 N ATOM 58 CA SER A 4 -4.940 -1.895 3.931 1.00 22.33 C ATOM 59 C SER A 4 -3.560 -1.794 4.573 1.00 4.23 C ATOM 60 O SER A 4 -2.915 -0.747 4.522 1.00 71.31 O ATOM 61 CB SER A 4 -4.945 -3.005 2.878 1.00 15.31 C ATOM 62 OG SER A 4 -5.106 -4.278 3.478 1.00 2.13 O ATOM 63 H SER A 4 -4.679 -0.138 2.779 1.00 62.34 H ATOM 64 HA SER A 4 -5.663 -2.134 4.697 1.00 12.24 H ATOM 65 HB3 SER A 4 -4.009 -2.989 2.339 1.00 64.44 H ATOM 66 HG SER A 4 -5.875 -4.267 4.054 1.00 42.42 H ATOM 67 N MET A 5 -3.113 -2.890 5.177 1.00 23.23 N ATOM 68 CA MET A 5 -1.809 -2.926 5.829 1.00 63.42 C ATOM 69 C MET A 5 -0.951 -4.056 5.266 1.00 3.44 C ATOM 70 O MET A 5 -1.468 -5.090 4.848 1.00 42.25 O ATOM 71 CB MET A 5 -1.974 -3.100 7.339 1.00 4.22 C ATOM 72 CG MET A 5 -2.900 -2.074 7.971 1.00 14.23 C ATOM 73 SD MET A 5 -3.216 -2.403 9.716 1.00 72.11 S ATOM 74 CE MET A 5 -3.817 -0.806 10.259 1.00 54.31 C ATOM 75 H MET A 5 -3.673 -3.695 5.185 1.00 2.24 H ATOM 76 HA MET A 5 -1.317 -1.985 5.634 1.00 5.03 H ATOM 77 HB3 MET A 5 -1.005 -3.013 7.809 1.00 71.15 H ATOM 78 HG3 MET A 5 -3.842 -2.085 7.440 1.00 3.43 H ATOM 79 HE1 MET A 5 -3.102 -0.364 10.937 1.00 53.32 H ATOM 80 HE2 MET A 5 -3.949 -0.161 9.403 1.00 35.31 H ATOM 81 HE3 MET A 5 -4.764 -0.931 10.765 1.00 64.31 H ATOM 82 N ASN A 6 0.362 -3.848 5.259 1.00 42.44 N ATOM 83 CA ASN A 6 1.291 -4.849 4.747 1.00 72.25 C ATOM 84 C ASN A 6 2.079 -5.492 5.883 1.00 4.24 C ATOM 85 O ASN A 6 1.880 -5.165 7.053 1.00 71.43 O ATOM 86 CB ASN A 6 2.251 -4.214 3.740 1.00 64.34 C ATOM 87 CG ASN A 6 2.660 -5.180 2.643 1.00 3.22 C ATOM 88 OD1 ASN A 6 3.622 -5.933 2.791 1.00 30.32 O ATOM 89 ND2 ASN A 6 1.929 -5.160 1.535 1.00 74.20 N ATOM 90 H ASN A 6 0.714 -3.002 5.606 1.00 43.24 H ATOM 91 HA ASN A 6 0.713 -5.612 4.248 1.00 1.01 H ATOM 92 HB3 ASN A 6 3.141 -3.887 4.256 1.00 24.21 H ATOM 93 HD21 ASN A 6 1.177 -4.533 1.487 1.00 11.40 H ATOM 94 HD22 ASN A 6 2.170 -5.774 0.810 1.00 34.31 H ATOM 95 N ASN A 7 2.975 -6.407 5.531 1.00 43.21 N ATOM 96 CA ASN A 7 3.795 -7.096 6.522 1.00 72.41 C ATOM 97 C ASN A 7 5.269 -6.749 6.345 1.00 43.34 C ATOM 98 O ASN A 7 6.023 -6.683 7.316 1.00 4.32 O ATOM 99 CB ASN A 7 3.600 -8.610 6.411 1.00 14.15 C ATOM 100 CG ASN A 7 2.209 -9.046 6.831 1.00 43.54 C ATOM 101 OD1 ASN A 7 1.435 -9.556 6.020 1.00 4.00 O ATOM 102 ND2 ASN A 7 1.884 -8.845 8.102 1.00 73.01 N ATOM 103 H ASN A 7 3.089 -6.625 4.582 1.00 4.30 H ATOM 104 HA ASN A 7 3.474 -6.772 7.500 1.00 44.34 H ATOM 105 HB3 ASN A 7 4.319 -9.107 7.044 1.00 22.03 H ATOM 106 HD21 ASN A 7 2.550 -8.432 8.691 1.00 62.41 H ATOM 107 HD22 ASN A 7 0.991 -9.118 8.400 1.00 23.12 H ATOM 108 N PHE A 8 5.674 -6.525 5.099 1.00 72.11 N ATOM 109 CA PHE A 8 7.059 -6.184 4.794 1.00 33.55 C ATOM 110 C PHE A 8 7.132 -5.178 3.650 1.00 13.41 C ATOM 111 O PHE A 8 6.107 -4.722 3.146 1.00 40.43 O ATOM 112 CB PHE A 8 7.849 -7.443 4.433 1.00 64.42 C ATOM 113 CG PHE A 8 7.090 -8.395 3.552 1.00 2.35 C ATOM 114 CD1 PHE A 8 6.601 -7.982 2.323 1.00 61.41 C ATOM 115 CD2 PHE A 8 6.865 -9.701 3.954 1.00 63.51 C ATOM 116 CE1 PHE A 8 5.901 -8.856 1.512 1.00 2.21 C ATOM 117 CE2 PHE A 8 6.167 -10.580 3.147 1.00 44.11 C ATOM 118 CZ PHE A 8 5.686 -10.156 1.924 1.00 73.12 C ATOM 119 H PHE A 8 5.026 -6.593 4.367 1.00 34.10 H ATOM 120 HA PHE A 8 7.492 -5.739 5.677 1.00 31.22 H ATOM 121 HB3 PHE A 8 8.114 -7.966 5.339 1.00 31.13 H ATOM 122 HD1 PHE A 8 6.770 -6.966 2.000 1.00 42.13 H ATOM 123 HD2 PHE A 8 7.243 -10.035 4.911 1.00 51.32 H ATOM 124 HE1 PHE A 8 5.527 -8.522 0.556 1.00 35.22 H ATOM 125 HE2 PHE A 8 6.000 -11.597 3.472 1.00 4.32 H ATOM 126 HZ PHE A 8 5.139 -10.840 1.292 1.00 74.53 H ATOM 127 N GLN A 9 8.352 -4.836 3.247 1.00 33.41 N ATOM 128 CA GLN A 9 8.559 -3.883 2.163 1.00 2.23 C ATOM 129 C GLN A 9 7.865 -4.350 0.888 1.00 62.12 C ATOM 130 O GLN A 9 7.166 -3.579 0.232 1.00 71.22 O ATOM 131 CB GLN A 9 10.054 -3.691 1.904 1.00 15.21 C ATOM 132 CG GLN A 9 10.803 -4.992 1.664 1.00 13.03 C ATOM 133 CD GLN A 9 12.303 -4.839 1.817 1.00 12.01 C ATOM 134 OE1 GLN A 9 12.873 -5.197 2.848 1.00 20.13 O ATOM 135 NE2 GLN A 9 12.952 -4.305 0.789 1.00 51.12 N ATOM 136 H GLN A 9 9.130 -5.235 3.689 1.00 54.34 H ATOM 137 HA GLN A 9 8.131 -2.939 2.466 1.00 31.32 H ATOM 138 HB3 GLN A 9 10.495 -3.199 2.758 1.00 1.23 H ATOM 139 HG3 GLN A 9 10.590 -5.335 0.662 1.00 40.30 H ATOM 140 HE21 GLN A 9 12.432 -4.043 0.000 1.00 3.35 H ATOM 141 HE22 GLN A 9 13.921 -4.194 0.862 1.00 62.55 H ATOM 142 N GLY A 10 8.065 -5.618 0.541 1.00 10.11 N ATOM 143 CA GLY A 10 7.452 -6.165 -0.655 1.00 32.23 C ATOM 144 C GLY A 10 8.269 -7.287 -1.264 1.00 64.32 C ATOM 145 O GLY A 10 8.353 -7.413 -2.486 1.00 51.42 O ATOM 146 H GLY A 10 8.633 -6.187 1.102 1.00 14.42 H ATOM 147 HA2 GLY A 10 6.472 -6.543 -0.404 1.00 23.12 H ATOM 148 HA3 GLY A 10 7.346 -5.376 -1.385 1.00 44.01 H ATOM 149 N LEU A 11 8.876 -8.105 -0.410 1.00 71.01 N ATOM 150 CA LEU A 11 9.693 -9.222 -0.871 1.00 75.22 C ATOM 151 C LEU A 11 8.859 -10.210 -1.682 1.00 41.50 C ATOM 152 O LEU A 11 9.060 -10.364 -2.887 1.00 24.35 O ATOM 153 CB LEU A 11 10.334 -9.937 0.320 1.00 15.43 C ATOM 154 CG LEU A 11 9.504 -9.975 1.604 1.00 21.34 C ATOM 155 CD1 LEU A 11 9.450 -11.388 2.164 1.00 73.45 C ATOM 156 CD2 LEU A 11 10.075 -9.014 2.637 1.00 44.33 C ATOM 157 H LEU A 11 8.772 -7.956 0.552 1.00 0.30 H ATOM 158 HA LEU A 11 10.473 -8.824 -1.503 1.00 41.14 H ATOM 159 HB3 LEU A 11 11.266 -9.438 0.542 1.00 4.21 H ATOM 160 HG LEU A 11 8.493 -9.666 1.382 1.00 15.51 H ATOM 161 HD11 LEU A 11 8.863 -11.395 3.069 1.00 55.40 H ATOM 162 HD12 LEU A 11 10.452 -11.728 2.382 1.00 31.31 H ATOM 163 HD13 LEU A 11 8.998 -12.046 1.436 1.00 41.44 H ATOM 164 HD21 LEU A 11 9.876 -7.997 2.331 1.00 14.23 H ATOM 165 HD22 LEU A 11 11.142 -9.163 2.716 1.00 2.41 H ATOM 166 HD23 LEU A 11 9.614 -9.199 3.596 1.00 44.15 H ATOM 167 N ARG A 12 7.922 -10.873 -1.014 1.00 34.21 N ATOM 168 CA ARG A 12 7.057 -11.844 -1.672 1.00 53.12 C ATOM 169 C ARG A 12 5.861 -11.154 -2.322 1.00 74.14 C ATOM 170 O ARG A 12 5.340 -11.617 -3.336 1.00 63.14 O ATOM 171 CB ARG A 12 6.571 -12.891 -0.668 1.00 1.42 C ATOM 172 CG ARG A 12 7.587 -13.988 -0.391 1.00 15.41 C ATOM 173 CD ARG A 12 7.103 -14.934 0.696 1.00 63.11 C ATOM 174 NE ARG A 12 8.045 -16.025 0.931 1.00 12.25 N ATOM 175 CZ ARG A 12 7.954 -16.867 1.954 1.00 42.30 C ATOM 176 NH1 ARG A 12 6.968 -16.744 2.833 1.00 62.02 N ATOM 177 NH2 ARG A 12 8.849 -17.835 2.101 1.00 61.45 N ATOM 178 H ARG A 12 7.810 -10.707 -0.054 1.00 10.31 H ATOM 179 HA ARG A 12 7.634 -12.337 -2.440 1.00 2.31 H ATOM 180 HB3 ARG A 12 5.673 -13.350 -1.051 1.00 34.41 H ATOM 181 HG3 ARG A 12 8.515 -13.534 -0.077 1.00 13.24 H ATOM 182 HD3 ARG A 12 6.152 -15.349 0.397 1.00 41.34 H ATOM 183 HE ARG A 12 8.782 -16.134 0.294 1.00 14.14 H ATOM 184 HH11 ARG A 12 6.291 -16.017 2.724 1.00 2.35 H ATOM 185 HH12 ARG A 12 6.901 -17.381 3.602 1.00 41.25 H ATOM 186 HH21 ARG A 12 9.594 -17.931 1.440 1.00 62.33 H ATOM 187 HH22 ARG A 12 8.781 -18.468 2.871 1.00 52.42 H ATOM 188 N SER A 13 5.430 -10.045 -1.730 1.00 4.04 N ATOM 189 CA SER A 13 4.294 -9.293 -2.248 1.00 31.10 C ATOM 190 C SER A 13 3.136 -10.226 -2.589 1.00 13.34 C ATOM 191 O SER A 13 2.401 -9.997 -3.550 1.00 62.32 O ATOM 192 CB SER A 13 4.704 -8.497 -3.488 1.00 52.12 C ATOM 193 OG SER A 13 3.685 -7.592 -3.875 1.00 33.44 O ATOM 194 H SER A 13 5.888 -9.726 -0.923 1.00 41.20 H ATOM 195 HA SER A 13 3.973 -8.605 -1.480 1.00 33.35 H ATOM 196 HB3 SER A 13 4.891 -9.180 -4.305 1.00 22.41 H ATOM 197 HG SER A 13 4.068 -6.726 -4.032 1.00 11.44 H ATOM 198 N PHE A 14 2.979 -11.279 -1.793 1.00 14.42 N ATOM 199 CA PHE A 14 1.910 -12.248 -2.009 1.00 1.34 C ATOM 200 C PHE A 14 1.952 -13.348 -0.953 1.00 64.52 C ATOM 201 O PHE A 14 3.019 -13.697 -0.447 1.00 74.32 O ATOM 202 CB PHE A 14 2.024 -12.861 -3.406 1.00 41.52 C ATOM 203 CG PHE A 14 1.033 -13.959 -3.661 1.00 53.12 C ATOM 204 CD1 PHE A 14 1.175 -15.195 -3.052 1.00 70.41 C ATOM 205 CD2 PHE A 14 -0.043 -13.755 -4.512 1.00 25.12 C ATOM 206 CE1 PHE A 14 0.263 -16.208 -3.285 1.00 42.13 C ATOM 207 CE2 PHE A 14 -0.958 -14.764 -4.748 1.00 43.31 C ATOM 208 CZ PHE A 14 -0.803 -15.992 -4.135 1.00 51.32 C ATOM 209 H PHE A 14 3.596 -11.406 -1.041 1.00 71.25 H ATOM 210 HA PHE A 14 0.970 -11.726 -1.930 1.00 14.53 H ATOM 211 HB3 PHE A 14 3.015 -13.271 -3.531 1.00 4.01 H ATOM 212 HD1 PHE A 14 2.010 -15.365 -2.388 1.00 1.11 H ATOM 213 HD2 PHE A 14 -0.164 -12.796 -4.993 1.00 10.05 H ATOM 214 HE1 PHE A 14 0.387 -17.167 -2.805 1.00 21.22 H ATOM 215 HE2 PHE A 14 -1.791 -14.593 -5.412 1.00 42.44 H ATOM 216 HZ PHE A 14 -1.517 -16.781 -4.317 1.00 73.34 H ATOM 217 N GLY A 15 0.784 -13.891 -0.625 1.00 51.11 N ATOM 218 CA GLY A 15 0.708 -14.946 0.369 1.00 5.41 C ATOM 219 C GLY A 15 -0.675 -15.558 0.461 1.00 4.24 C ATOM 220 O GLY A 15 -0.819 -16.744 0.758 1.00 13.23 O ATOM 221 H GLY A 15 -0.034 -13.573 -1.061 1.00 50.44 H ATOM 222 HA2 GLY A 15 1.416 -15.719 0.111 1.00 24.32 H ATOM 223 HA3 GLY A 15 0.973 -14.536 1.333 1.00 64.21 H ATOM 224 N CYS A 16 -1.697 -14.746 0.210 1.00 72.50 N ATOM 225 CA CYS A 16 -3.077 -15.213 0.268 1.00 53.11 C ATOM 226 C CYS A 16 -3.745 -15.109 -1.100 1.00 3.12 C ATOM 227 O CYS A 16 -3.796 -14.033 -1.697 1.00 25.40 O ATOM 228 CB CYS A 16 -3.868 -14.403 1.297 1.00 73.03 C ATOM 229 SG CYS A 16 -2.829 -13.474 2.471 1.00 34.22 S ATOM 230 H CYS A 16 -1.519 -13.809 -0.021 1.00 62.41 H ATOM 231 HA CYS A 16 -3.065 -16.249 0.571 1.00 24.31 H ATOM 232 HB3 CYS A 16 -4.492 -15.073 1.869 1.00 13.01 H ATOM 233 N ARG A 17 -4.255 -16.234 -1.590 1.00 15.15 N ATOM 234 CA ARG A 17 -4.919 -16.270 -2.887 1.00 62.14 C ATOM 235 C ARG A 17 -5.984 -15.182 -2.984 1.00 13.34 C ATOM 236 O ARG A 17 -5.883 -14.271 -3.806 1.00 10.40 O ATOM 237 CB ARG A 17 -5.554 -17.642 -3.122 1.00 22.13 C ATOM 238 CG ARG A 17 -5.453 -18.122 -4.560 1.00 72.23 C ATOM 239 CD ARG A 17 -4.006 -18.308 -4.987 1.00 25.01 C ATOM 240 NE ARG A 17 -3.798 -19.577 -5.680 1.00 44.54 N ATOM 241 CZ ARG A 17 -3.808 -20.757 -5.072 1.00 73.44 C ATOM 242 NH1 ARG A 17 -4.016 -20.831 -3.765 1.00 21.41 N ATOM 243 NH2 ARG A 17 -3.612 -21.867 -5.773 1.00 5.53 N ATOM 244 H ARG A 17 -4.183 -17.059 -1.067 1.00 34.20 H ATOM 245 HA ARG A 17 -4.172 -16.094 -3.647 1.00 74.04 H ATOM 246 HB3 ARG A 17 -6.598 -17.593 -2.853 1.00 23.11 H ATOM 247 HG3 ARG A 17 -5.920 -17.392 -5.206 1.00 24.33 H ATOM 248 HD3 ARG A 17 -3.380 -18.282 -4.107 1.00 32.31 H ATOM 249 HE ARG A 17 -3.643 -19.545 -6.647 1.00 44.31 H ATOM 250 HH11 ARG A 17 -4.165 -19.996 -3.235 1.00 32.42 H ATOM 251 HH12 ARG A 17 -4.025 -21.722 -3.310 1.00 24.31 H ATOM 252 HH21 ARG A 17 -3.455 -21.815 -6.758 1.00 54.14 H ATOM 253 HH22 ARG A 17 -3.620 -22.755 -5.315 1.00 25.34 H ATOM 254 N PHE A 18 -7.005 -15.284 -2.139 1.00 21.13 N ATOM 255 CA PHE A 18 -8.090 -14.311 -2.130 1.00 1.41 C ATOM 256 C PHE A 18 -8.773 -14.269 -0.765 1.00 64.44 C ATOM 257 O PHE A 18 -8.845 -15.278 -0.065 1.00 54.22 O ATOM 258 CB PHE A 18 -9.115 -14.646 -3.215 1.00 61.10 C ATOM 259 CG PHE A 18 -8.779 -14.063 -4.558 1.00 21.42 C ATOM 260 CD1 PHE A 18 -9.097 -12.748 -4.857 1.00 72.21 C ATOM 261 CD2 PHE A 18 -8.144 -14.831 -5.522 1.00 1.12 C ATOM 262 CE1 PHE A 18 -8.789 -12.209 -6.092 1.00 31.11 C ATOM 263 CE2 PHE A 18 -7.833 -14.297 -6.757 1.00 43.24 C ATOM 264 CZ PHE A 18 -8.156 -12.984 -7.044 1.00 75.41 C ATOM 265 H PHE A 18 -7.029 -16.034 -1.507 1.00 43.52 H ATOM 266 HA PHE A 18 -7.666 -13.340 -2.336 1.00 63.41 H ATOM 267 HB3 PHE A 18 -10.081 -14.265 -2.919 1.00 42.13 H ATOM 268 HD1 PHE A 18 -9.592 -12.140 -4.113 1.00 33.44 H ATOM 269 HD2 PHE A 18 -7.891 -15.857 -5.300 1.00 73.32 H ATOM 270 HE1 PHE A 18 -9.043 -11.183 -6.312 1.00 14.43 H ATOM 271 HE2 PHE A 18 -7.339 -14.905 -7.501 1.00 3.00 H ATOM 272 HZ PHE A 18 -7.914 -12.565 -8.008 1.00 53.11 H ATOM 273 N GLY A 19 -9.271 -13.094 -0.395 1.00 43.10 N ATOM 274 CA GLY A 19 -9.940 -12.942 0.884 1.00 51.30 C ATOM 275 C GLY A 19 -9.187 -12.024 1.828 1.00 74.05 C ATOM 276 O GLY A 19 -8.320 -12.471 2.579 1.00 2.34 O ATOM 277 H GLY A 19 -9.184 -12.323 -0.994 1.00 64.21 H ATOM 278 HA2 GLY A 19 -10.927 -12.536 0.715 1.00 23.53 H ATOM 279 HA3 GLY A 19 -10.035 -13.914 1.345 1.00 30.05 H ATOM 280 N THR A 20 -9.517 -10.737 1.787 1.00 3.12 N ATOM 281 CA THR A 20 -8.864 -9.754 2.643 1.00 2.01 C ATOM 282 C THR A 20 -7.354 -9.764 2.437 1.00 62.04 C ATOM 283 O THR A 20 -6.597 -9.310 3.297 1.00 62.24 O ATOM 284 CB THR A 20 -9.170 -10.012 4.130 1.00 63.14 C ATOM 285 OG1 THR A 20 -8.258 -10.983 4.656 1.00 24.34 O ATOM 286 CG2 THR A 20 -10.599 -10.500 4.312 1.00 61.21 C ATOM 287 H THR A 20 -10.216 -10.443 1.167 1.00 4.14 H ATOM 288 HA THR A 20 -9.246 -8.778 2.382 1.00 13.22 H ATOM 289 HB THR A 20 -9.050 -9.085 4.673 1.00 65.22 H ATOM 290 HG1 THR A 20 -8.546 -11.250 5.533 1.00 64.03 H ATOM 291 HG21 THR A 20 -11.276 -9.825 3.812 1.00 62.03 H ATOM 292 HG22 THR A 20 -10.836 -10.534 5.365 1.00 32.02 H ATOM 293 HG23 THR A 20 -10.697 -11.489 3.889 1.00 54.10 H ATOM 294 N CYS A 21 -6.920 -10.282 1.293 1.00 42.23 N ATOM 295 CA CYS A 21 -5.499 -10.351 0.974 1.00 42.32 C ATOM 296 C CYS A 21 -5.281 -10.960 -0.408 1.00 40.11 C ATOM 297 O CYS A 21 -5.446 -12.165 -0.601 1.00 63.10 O ATOM 298 CB CYS A 21 -4.756 -11.173 2.029 1.00 11.33 C ATOM 299 SG CYS A 21 -3.011 -11.500 1.624 1.00 45.34 S ATOM 300 H CYS A 21 -7.572 -10.627 0.647 1.00 65.42 H ATOM 301 HA CYS A 21 -5.109 -9.344 0.974 1.00 15.32 H ATOM 302 HB3 CYS A 21 -5.252 -12.125 2.146 1.00 63.00 H ATOM 303 N THR A 22 -4.909 -10.119 -1.368 1.00 42.12 N ATOM 304 CA THR A 22 -4.668 -10.574 -2.732 1.00 33.21 C ATOM 305 C THR A 22 -4.162 -9.436 -3.610 1.00 64.45 C ATOM 306 O THR A 22 -3.994 -8.308 -3.146 1.00 74.05 O ATOM 307 CB THR A 22 -5.946 -11.162 -3.361 1.00 74.40 C ATOM 308 OG1 THR A 22 -5.629 -11.812 -4.598 1.00 23.25 O ATOM 309 CG2 THR A 22 -6.979 -10.073 -3.605 1.00 55.14 C ATOM 310 H THR A 22 -4.793 -9.171 -1.153 1.00 14.51 H ATOM 311 HA THR A 22 -3.919 -11.351 -2.697 1.00 34.21 H ATOM 312 HB THR A 22 -6.364 -11.888 -2.679 1.00 23.31 H ATOM 313 HG1 THR A 22 -6.396 -11.794 -5.174 1.00 40.11 H ATOM 314 HG21 THR A 22 -6.609 -9.134 -3.222 1.00 75.25 H ATOM 315 HG22 THR A 22 -7.899 -10.330 -3.101 1.00 31.12 H ATOM 316 HG23 THR A 22 -7.164 -9.983 -4.666 1.00 24.21 H ATOM 317 N VAL A 23 -3.918 -9.738 -4.881 1.00 43.04 N ATOM 318 CA VAL A 23 -3.431 -8.740 -5.825 1.00 13.52 C ATOM 319 C VAL A 23 -4.298 -7.485 -5.794 1.00 20.33 C ATOM 320 O VAL A 23 -3.814 -6.380 -6.036 1.00 73.30 O ATOM 321 CB VAL A 23 -3.400 -9.293 -7.262 1.00 33.43 C ATOM 322 CG1 VAL A 23 -2.658 -10.620 -7.307 1.00 21.03 C ATOM 323 CG2 VAL A 23 -4.812 -9.444 -7.805 1.00 34.41 C ATOM 324 H VAL A 23 -4.071 -10.655 -5.192 1.00 10.03 H ATOM 325 HA VAL A 23 -2.422 -8.476 -5.541 1.00 11.40 H ATOM 326 HB VAL A 23 -2.871 -8.588 -7.886 1.00 64.34 H ATOM 327 HG11 VAL A 23 -2.377 -10.841 -8.327 1.00 20.32 H ATOM 328 HG12 VAL A 23 -1.771 -10.558 -6.694 1.00 21.42 H ATOM 329 HG13 VAL A 23 -3.300 -11.404 -6.934 1.00 32.12 H ATOM 330 HG21 VAL A 23 -5.243 -8.467 -7.967 1.00 52.13 H ATOM 331 HG22 VAL A 23 -4.782 -9.985 -8.739 1.00 54.23 H ATOM 332 HG23 VAL A 23 -5.416 -9.989 -7.093 1.00 62.23 H ATOM 333 N GLN A 24 -5.580 -7.667 -5.494 1.00 45.24 N ATOM 334 CA GLN A 24 -6.514 -6.548 -5.432 1.00 33.43 C ATOM 335 C GLN A 24 -6.219 -5.659 -4.228 1.00 54.33 C ATOM 336 O GLN A 24 -6.068 -4.445 -4.362 1.00 61.02 O ATOM 337 CB GLN A 24 -7.953 -7.063 -5.361 1.00 43.11 C ATOM 338 CG GLN A 24 -8.711 -6.931 -6.672 1.00 75.31 C ATOM 339 CD GLN A 24 -9.817 -7.959 -6.812 1.00 33.11 C ATOM 340 OE1 GLN A 24 -10.937 -7.750 -6.346 1.00 73.41 O ATOM 341 NE2 GLN A 24 -9.507 -9.078 -7.457 1.00 21.04 N ATOM 342 H GLN A 24 -5.905 -8.572 -5.312 1.00 44.11 H ATOM 343 HA GLN A 24 -6.393 -5.965 -6.333 1.00 14.01 H ATOM 344 HB3 GLN A 24 -8.486 -6.504 -4.605 1.00 44.24 H ATOM 345 HG3 GLN A 24 -8.017 -7.058 -7.489 1.00 24.44 H ATOM 346 HE21 GLN A 24 -8.594 -9.176 -7.800 1.00 35.21 H ATOM 347 HE22 GLN A 24 -10.202 -9.759 -7.561 1.00 32.34 H ATOM 348 N LYS A 25 -6.139 -6.272 -3.052 1.00 50.44 N ATOM 349 CA LYS A 25 -5.861 -5.537 -1.824 1.00 14.33 C ATOM 350 C LYS A 25 -4.433 -5.002 -1.820 1.00 62.23 C ATOM 351 O LYS A 25 -4.129 -4.018 -1.145 1.00 61.24 O ATOM 352 CB LYS A 25 -6.084 -6.436 -0.605 1.00 41.24 C ATOM 353 CG LYS A 25 -7.534 -6.843 -0.406 1.00 31.30 C ATOM 354 CD LYS A 25 -7.885 -8.074 -1.224 1.00 20.23 C ATOM 355 CE LYS A 25 -9.192 -8.698 -0.759 1.00 3.12 C ATOM 356 NZ LYS A 25 -10.174 -8.823 -1.871 1.00 41.22 N1+ ATOM 357 H LYS A 25 -6.269 -7.243 -3.009 1.00 52.42 H ATOM 358 HA LYS A 25 -6.545 -4.703 -1.775 1.00 11.42 H ATOM 359 HB3 LYS A 25 -5.754 -5.912 0.279 1.00 54.51 H ATOM 360 HG3 LYS A 25 -8.172 -6.026 -0.711 1.00 14.24 H ATOM 361 HD3 LYS A 25 -7.092 -8.802 -1.121 1.00 34.44 H ATOM 362 HE3 LYS A 25 -9.615 -8.078 0.017 1.00 52.53 H ATOM 363 HZ1 LYS A 25 -9.682 -8.786 -2.787 1.00 13.41 H ATOM 364 HZ2 LYS A 25 -10.863 -8.045 -1.829 1.00 23.22 H ATOM 365 HZ3 LYS A 25 -10.682 -9.727 -1.799 1.00 72.43 H ATOM 366 N LEU A 26 -3.560 -5.656 -2.579 1.00 54.43 N ATOM 367 CA LEU A 26 -2.163 -5.245 -2.666 1.00 15.23 C ATOM 368 C LEU A 26 -1.992 -4.100 -3.660 1.00 22.40 C ATOM 369 O LEU A 26 -1.292 -3.126 -3.385 1.00 1.01 O ATOM 370 CB LEU A 26 -1.288 -6.429 -3.078 1.00 43.24 C ATOM 371 CG LEU A 26 0.131 -6.087 -3.537 1.00 11.11 C ATOM 372 CD1 LEU A 26 0.947 -5.534 -2.380 1.00 3.54 C ATOM 373 CD2 LEU A 26 0.809 -7.313 -4.131 1.00 1.31 C ATOM 374 H LEU A 26 -3.861 -6.432 -3.095 1.00 52.04 H ATOM 375 HA LEU A 26 -1.857 -4.904 -1.688 1.00 23.51 H ATOM 376 HB3 LEU A 26 -1.785 -6.939 -3.892 1.00 24.43 H ATOM 377 HG LEU A 26 0.081 -5.327 -4.304 1.00 1.03 H ATOM 378 HD11 LEU A 26 0.696 -6.065 -1.474 1.00 52.24 H ATOM 379 HD12 LEU A 26 0.726 -4.484 -2.253 1.00 3.00 H ATOM 380 HD13 LEU A 26 1.999 -5.656 -2.590 1.00 22.43 H ATOM 381 HD21 LEU A 26 0.083 -7.899 -4.674 1.00 13.24 H ATOM 382 HD22 LEU A 26 1.232 -7.909 -3.337 1.00 23.52 H ATOM 383 HD23 LEU A 26 1.595 -6.999 -4.804 1.00 14.14 H ATOM 384 N ALA A 27 -2.639 -4.224 -4.813 1.00 71.35 N ATOM 385 CA ALA A 27 -2.562 -3.199 -5.847 1.00 11.43 C ATOM 386 C ALA A 27 -3.079 -1.860 -5.331 1.00 24.13 C ATOM 387 O ALA A 27 -2.794 -0.809 -5.907 1.00 34.41 O ATOM 388 CB ALA A 27 -3.345 -3.629 -7.077 1.00 52.34 C ATOM 389 H ALA A 27 -3.182 -5.023 -4.974 1.00 65.43 H ATOM 390 HA ALA A 27 -1.525 -3.087 -6.131 1.00 13.25 H ATOM 391 HB1 ALA A 27 -3.073 -4.641 -7.341 1.00 25.31 H ATOM 392 HB2 ALA A 27 -4.403 -3.585 -6.865 1.00 51.22 H ATOM 393 HB3 ALA A 27 -3.114 -2.969 -7.900 1.00 54.15 H ATOM 394 N HIS A 28 -3.839 -1.904 -4.241 1.00 63.32 N ATOM 395 CA HIS A 28 -4.396 -0.694 -3.647 1.00 64.01 C ATOM 396 C HIS A 28 -3.299 0.330 -3.372 1.00 52.21 C ATOM 397 O HIS A 28 -3.553 1.535 -3.351 1.00 73.35 O ATOM 398 CB HIS A 28 -5.133 -1.029 -2.351 1.00 31.13 C ATOM 399 CG HIS A 28 -6.586 -1.335 -2.550 1.00 2.41 C ATOM 400 ND1 HIS A 28 -7.472 -1.495 -1.505 1.00 3.23 N ATOM 401 CD2 HIS A 28 -7.308 -1.507 -3.682 1.00 1.33 C ATOM 402 CE1 HIS A 28 -8.674 -1.754 -1.986 1.00 13.44 C ATOM 403 NE2 HIS A 28 -8.602 -1.766 -3.304 1.00 62.44 N ATOM 404 H HIS A 28 -4.030 -2.771 -3.827 1.00 35.20 H ATOM 405 HA HIS A 28 -5.097 -0.271 -4.351 1.00 30.45 H ATOM 406 HB3 HIS A 28 -5.059 -0.190 -1.675 1.00 4.44 H ATOM 407 HD1 HIS A 28 -7.250 -1.429 -0.552 1.00 74.31 H ATOM 408 HD2 HIS A 28 -6.935 -1.451 -4.695 1.00 41.10 H ATOM 409 HE1 HIS A 28 -9.565 -1.925 -1.400 1.00 75.51 H ATOM 410 N GLN A 29 -2.081 -0.157 -3.160 1.00 40.05 N ATOM 411 CA GLN A 29 -0.946 0.717 -2.885 1.00 14.32 C ATOM 412 C GLN A 29 -0.091 0.909 -4.133 1.00 62.52 C ATOM 413 O GLN A 29 0.676 1.867 -4.231 1.00 34.45 O ATOM 414 CB GLN A 29 -0.095 0.140 -1.753 1.00 22.22 C ATOM 415 CG GLN A 29 0.460 -1.243 -2.051 1.00 74.33 C ATOM 416 CD GLN A 29 1.801 -1.490 -1.391 1.00 2.15 C ATOM 417 OE1 GLN A 29 2.853 -1.267 -1.992 1.00 60.22 O ATOM 418 NE2 GLN A 29 1.772 -1.952 -0.146 1.00 44.14 N ATOM 419 H GLN A 29 -1.941 -1.126 -3.189 1.00 72.13 H ATOM 420 HA GLN A 29 -1.334 1.676 -2.579 1.00 43.31 H ATOM 421 HB3 GLN A 29 -0.699 0.077 -0.860 1.00 11.00 H ATOM 422 HG3 GLN A 29 0.576 -1.347 -3.120 1.00 71.01 H ATOM 423 HE21 GLN A 29 0.898 -2.106 0.269 1.00 31.14 H ATOM 424 HE22 GLN A 29 2.625 -2.121 0.305 1.00 64.11 H ATOM 425 N ILE A 30 -0.228 -0.009 -5.085 1.00 23.23 N ATOM 426 CA ILE A 30 0.532 0.060 -6.326 1.00 33.40 C ATOM 427 C ILE A 30 0.341 1.407 -7.014 1.00 23.14 C ATOM 428 O ILE A 30 1.260 1.930 -7.646 1.00 14.11 O ATOM 429 CB ILE A 30 0.124 -1.062 -7.299 1.00 24.51 C ATOM 430 CG1 ILE A 30 0.957 -2.319 -7.041 1.00 23.11 C ATOM 431 CG2 ILE A 30 0.286 -0.600 -8.739 1.00 71.13 C ATOM 432 CD1 ILE A 30 1.110 -2.652 -5.573 1.00 21.24 C ATOM 433 H ILE A 30 -0.855 -0.749 -4.948 1.00 64.21 H ATOM 434 HA ILE A 30 1.578 -0.064 -6.084 1.00 10.10 H ATOM 435 HB ILE A 30 -0.918 -1.290 -7.134 1.00 35.32 H ATOM 436 HG13 ILE A 30 1.946 -2.177 -7.454 1.00 34.33 H ATOM 437 HG21 ILE A 30 -0.537 0.047 -9.005 1.00 34.15 H ATOM 438 HG22 ILE A 30 1.215 -0.059 -8.841 1.00 53.22 H ATOM 439 HG23 ILE A 30 0.295 -1.458 -9.394 1.00 43.32 H ATOM 440 HD11 ILE A 30 0.135 -2.685 -5.109 1.00 14.41 H ATOM 441 HD12 ILE A 30 1.587 -3.615 -5.469 1.00 62.22 H ATOM 442 HD13 ILE A 30 1.712 -1.897 -5.092 1.00 52.05 H ATOM 443 N TYR A 31 -0.857 1.966 -6.884 1.00 52.22 N ATOM 444 CA TYR A 31 -1.169 3.253 -7.494 1.00 54.51 C ATOM 445 C TYR A 31 -1.220 4.357 -6.441 1.00 34.14 C ATOM 446 O TYR A 31 -1.745 5.442 -6.688 1.00 74.23 O ATOM 447 CB TYR A 31 -2.506 3.180 -8.235 1.00 73.43 C ATOM 448 CG TYR A 31 -3.648 2.684 -7.377 1.00 24.51 C ATOM 449 CD1 TYR A 31 -4.304 3.536 -6.499 1.00 52.42 C ATOM 450 CD2 TYR A 31 -4.071 1.361 -7.446 1.00 5.41 C ATOM 451 CE1 TYR A 31 -5.348 3.087 -5.713 1.00 45.11 C ATOM 452 CE2 TYR A 31 -5.114 0.904 -6.665 1.00 3.24 C ATOM 453 CZ TYR A 31 -5.749 1.771 -5.799 1.00 21.42 C ATOM 454 OH TYR A 31 -6.789 1.320 -5.019 1.00 21.22 O ATOM 455 H TYR A 31 -1.548 1.501 -6.368 1.00 55.14 H ATOM 456 HA TYR A 31 -0.388 3.484 -8.203 1.00 33.23 H ATOM 457 HB3 TYR A 31 -2.406 2.509 -9.076 1.00 32.10 H ATOM 458 HD1 TYR A 31 -3.988 4.567 -6.434 1.00 54.42 H ATOM 459 HD2 TYR A 31 -3.571 0.685 -8.124 1.00 13.43 H ATOM 460 HE1 TYR A 31 -5.846 3.766 -5.036 1.00 22.32 H ATOM 461 HE2 TYR A 31 -5.429 -0.127 -6.731 1.00 23.30 H ATOM 462 HH TYR A 31 -7.414 2.034 -4.875 1.00 32.11 H ATOM 463 N GLN A 32 -0.668 4.069 -5.266 1.00 12.40 N ATOM 464 CA GLN A 32 -0.650 5.036 -4.175 1.00 0.22 C ATOM 465 C GLN A 32 0.680 5.781 -4.130 1.00 51.21 C ATOM 466 O GLN A 32 0.737 6.948 -3.741 1.00 44.25 O ATOM 467 CB GLN A 32 -0.901 4.335 -2.839 1.00 5.01 C ATOM 468 CG GLN A 32 -2.370 4.057 -2.564 1.00 63.33 C ATOM 469 CD GLN A 32 -3.071 5.225 -1.900 1.00 2.23 C ATOM 470 OE1 GLN A 32 -3.496 6.169 -2.566 1.00 15.44 O ATOM 471 NE2 GLN A 32 -3.195 5.168 -0.579 1.00 22.15 N ATOM 472 H GLN A 32 -0.266 3.187 -5.130 1.00 53.31 H ATOM 473 HA GLN A 32 -1.442 5.749 -4.351 1.00 3.14 H ATOM 474 HB3 GLN A 32 -0.519 4.956 -2.043 1.00 12.43 H ATOM 475 HG3 GLN A 32 -2.444 3.195 -1.917 1.00 3.42 H ATOM 476 HE21 GLN A 32 -2.830 4.385 -0.114 1.00 3.22 H ATOM 477 HE22 GLN A 32 -3.643 5.910 -0.123 1.00 63.42 H ATOM 478 N PHE A 33 1.748 5.099 -4.530 1.00 4.25 N ATOM 479 CA PHE A 33 3.078 5.696 -4.534 1.00 2.22 C ATOM 480 C PHE A 33 3.370 6.366 -5.873 1.00 62.24 C ATOM 481 O PHE A 33 4.316 7.145 -5.999 1.00 72.33 O ATOM 482 CB PHE A 33 4.138 4.632 -4.242 1.00 24.02 C ATOM 483 CG PHE A 33 4.367 3.683 -5.384 1.00 13.24 C ATOM 484 CD1 PHE A 33 5.258 3.998 -6.397 1.00 42.20 C ATOM 485 CD2 PHE A 33 3.688 2.476 -5.445 1.00 44.01 C ATOM 486 CE1 PHE A 33 5.470 3.128 -7.448 1.00 74.43 C ATOM 487 CE2 PHE A 33 3.897 1.601 -6.494 1.00 44.42 C ATOM 488 CZ PHE A 33 4.788 1.928 -7.498 1.00 1.03 C ATOM 489 H PHE A 33 1.639 4.172 -4.829 1.00 33.10 H ATOM 490 HA PHE A 33 3.108 6.444 -3.757 1.00 73.40 H ATOM 491 HB3 PHE A 33 3.831 4.054 -3.385 1.00 34.33 H ATOM 492 HD1 PHE A 33 5.792 4.938 -6.359 1.00 42.15 H ATOM 493 HD2 PHE A 33 2.991 2.219 -4.661 1.00 3.25 H ATOM 494 HE1 PHE A 33 6.167 3.387 -8.232 1.00 70.23 H ATOM 495 HE2 PHE A 33 3.362 0.663 -6.531 1.00 4.35 H ATOM 496 HZ PHE A 33 4.953 1.245 -8.318 1.00 53.25 H ATOM 497 N THR A 34 2.551 6.057 -6.874 1.00 14.43 N ATOM 498 CA THR A 34 2.720 6.627 -8.205 1.00 23.01 C ATOM 499 C THR A 34 1.461 7.358 -8.655 1.00 34.14 C ATOM 500 O THR A 34 1.527 8.483 -9.150 1.00 25.24 O ATOM 501 CB THR A 34 3.067 5.541 -9.240 1.00 71.44 C ATOM 502 OG1 THR A 34 2.956 6.073 -10.565 1.00 41.23 O ATOM 503 CG2 THR A 34 2.146 4.339 -9.093 1.00 25.41 C ATOM 504 H THR A 34 1.815 5.430 -6.711 1.00 20.20 H ATOM 505 HA THR A 34 3.538 7.331 -8.164 1.00 23.20 H ATOM 506 HB THR A 34 4.085 5.219 -9.074 1.00 71.32 H ATOM 507 HG1 THR A 34 3.833 6.187 -10.939 1.00 54.41 H ATOM 508 HG21 THR A 34 1.142 4.618 -9.376 1.00 2.01 H ATOM 509 HG22 THR A 34 2.151 4.005 -8.066 1.00 42.44 H ATOM 510 HG23 THR A 34 2.492 3.540 -9.733 1.00 13.35 H ATOM 511 N ASP A 35 0.313 6.712 -8.477 1.00 42.30 N ATOM 512 CA ASP A 35 -0.964 7.303 -8.864 1.00 51.01 C ATOM 513 C ASP A 35 -0.967 7.670 -10.344 1.00 73.31 C ATOM 514 O ASP A 35 -1.081 8.841 -10.705 1.00 44.10 O ATOM 515 CB ASP A 35 -1.253 8.544 -8.018 1.00 2.32 C ATOM 516 CG ASP A 35 -2.727 8.896 -7.991 1.00 12.21 C ATOM 517 OD1 ASP A 35 -3.480 8.364 -8.834 1.00 33.12 O ATOM 518 OD2 ASP A 35 -3.129 9.702 -7.126 1.00 61.02 O ATOM 519 H ASP A 35 0.324 5.818 -8.076 1.00 73.13 H ATOM 520 HA ASP A 35 -1.735 6.570 -8.685 1.00 52.33 H ATOM 521 HB3 ASP A 35 -0.708 9.384 -8.424 1.00 24.24 H ATOM 522 N LYS A 36 -0.840 6.660 -11.199 1.00 4.13 N ATOM 523 CA LYS A 36 -0.828 6.875 -12.641 1.00 13.02 C ATOM 524 C LYS A 36 -2.203 7.309 -13.138 1.00 12.32 C ATOM 525 O LYS A 36 -2.317 8.205 -13.975 1.00 0.22 O ATOM 526 CB LYS A 36 -0.394 5.598 -13.364 1.00 62.33 C ATOM 527 CG LYS A 36 0.840 4.948 -12.761 1.00 31.31 C ATOM 528 CD LYS A 36 0.523 3.576 -12.187 1.00 41.35 C ATOM 529 CE LYS A 36 1.773 2.716 -12.079 1.00 73.14 C ATOM 530 NZ LYS A 36 2.119 2.074 -13.377 1.00 75.45 N1+ ATOM 531 H LYS A 36 -0.753 5.748 -10.850 1.00 62.34 H ATOM 532 HA LYS A 36 -0.117 7.659 -12.854 1.00 52.14 H ATOM 533 HB3 LYS A 36 -0.180 5.837 -14.396 1.00 13.04 H ATOM 534 HG3 LYS A 36 1.218 5.579 -11.970 1.00 61.12 H ATOM 535 HD3 LYS A 36 -0.190 3.082 -12.833 1.00 22.41 H ATOM 536 HE3 LYS A 36 1.600 1.946 -11.341 1.00 0.25 H ATOM 537 HZ1 LYS A 36 3.152 2.038 -13.494 1.00 34.44 H ATOM 538 HZ2 LYS A 36 1.711 2.617 -14.165 1.00 23.33 H ATOM 539 HZ3 LYS A 36 1.743 1.104 -13.409 1.00 12.13 H ATOM 540 N ASP A 37 -3.244 6.671 -12.615 1.00 54.41 N ATOM 541 CA ASP A 37 -4.612 6.994 -13.004 1.00 53.40 C ATOM 542 C ASP A 37 -4.914 8.469 -12.756 1.00 75.14 C ATOM 543 O ASP A 37 -4.044 9.229 -12.328 1.00 73.45 O ATOM 544 CB ASP A 37 -5.604 6.122 -12.233 1.00 52.10 C ATOM 545 CG ASP A 37 -5.712 4.723 -12.807 1.00 35.03 C ATOM 546 OD1 ASP A 37 -4.923 3.849 -12.393 1.00 64.51 O ATOM 547 OD2 ASP A 37 -6.588 4.502 -13.671 1.00 71.42 O ATOM 548 H ASP A 37 -3.090 5.966 -11.952 1.00 4.45 H ATOM 549 HA ASP A 37 -4.714 6.791 -14.060 1.00 3.52 H ATOM 550 HB3 ASP A 37 -6.580 6.582 -12.266 1.00 0.44 H ATOM 551 N LYS A 38 -6.152 8.869 -13.028 1.00 74.42 N ATOM 552 CA LYS A 38 -6.570 10.251 -12.836 1.00 2.40 C ATOM 553 C LYS A 38 -6.207 10.740 -11.436 1.00 53.15 C ATOM 554 O LYS A 38 -6.156 9.955 -10.489 1.00 51.21 O ATOM 555 CB LYS A 38 -8.078 10.387 -13.059 1.00 32.40 C ATOM 556 CG LYS A 38 -8.626 11.757 -12.699 1.00 35.34 C ATOM 557 CD LYS A 38 -9.908 12.061 -13.456 1.00 42.21 C ATOM 558 CE LYS A 38 -10.998 11.050 -13.137 1.00 61.42 C ATOM 559 NZ LYS A 38 -12.271 11.365 -13.841 1.00 42.32 N1+ ATOM 560 H LYS A 38 -6.800 8.215 -13.367 1.00 54.55 H ATOM 561 HA LYS A 38 -6.051 10.859 -13.562 1.00 2.45 H ATOM 562 HB3 LYS A 38 -8.587 9.648 -12.456 1.00 63.05 H ATOM 563 HG3 LYS A 38 -7.887 12.506 -12.944 1.00 12.01 H ATOM 564 HD3 LYS A 38 -9.703 12.035 -14.517 1.00 23.31 H ATOM 565 HE3 LYS A 38 -11.174 11.055 -12.072 1.00 21.12 H ATOM 566 HZ1 LYS A 38 -12.103 12.080 -14.578 1.00 14.52 H ATOM 567 HZ2 LYS A 38 -12.970 11.738 -13.167 1.00 31.20 H ATOM 568 HZ3 LYS A 38 -12.657 10.509 -14.287 1.00 22.54 H ATOM 569 N ASP A 39 -5.957 12.039 -11.315 1.00 65.21 N ATOM 570 CA ASP A 39 -5.602 12.631 -10.030 1.00 42.24 C ATOM 571 C ASP A 39 -6.365 13.932 -9.802 1.00 51.22 C ATOM 572 O ASP A 39 -5.787 14.941 -9.400 1.00 63.15 O ATOM 573 CB ASP A 39 -4.096 12.892 -9.964 1.00 72.25 C ATOM 574 CG ASP A 39 -3.315 11.664 -9.537 1.00 44.35 C ATOM 575 OD1 ASP A 39 -3.492 10.600 -10.165 1.00 72.22 O ATOM 576 OD2 ASP A 39 -2.524 11.770 -8.576 1.00 34.33 O ATOM 577 H ASP A 39 -6.014 12.613 -12.107 1.00 62.13 H ATOM 578 HA ASP A 39 -5.871 11.930 -9.256 1.00 62.11 H ATOM 579 HB3 ASP A 39 -3.905 13.683 -9.255 1.00 21.23 H ATOM 580 N ASN A 40 -7.668 13.900 -10.062 1.00 55.45 N ATOM 581 CA ASN A 40 -8.512 15.078 -9.887 1.00 61.54 C ATOM 582 C ASN A 40 -9.006 15.184 -8.448 1.00 23.30 C ATOM 583 O ASN A 40 -10.206 15.296 -8.198 1.00 62.32 O ATOM 584 CB ASN A 40 -9.704 15.023 -10.845 1.00 43.51 C ATOM 585 CG ASN A 40 -9.335 15.453 -12.252 1.00 11.31 C ATOM 586 OD1 ASN A 40 -8.219 15.214 -12.713 1.00 51.12 O ATOM 587 ND2 ASN A 40 -10.275 16.091 -12.940 1.00 41.22 N ATOM 588 H ASN A 40 -8.072 13.067 -10.381 1.00 33.12 H ATOM 589 HA ASN A 40 -7.916 15.949 -10.116 1.00 54.14 H ATOM 590 HB3 ASN A 40 -10.481 15.678 -10.480 1.00 12.44 H ATOM 591 HD21 ASN A 40 -11.141 16.247 -12.509 1.00 4.13 H ATOM 592 HD22 ASN A 40 -10.064 16.380 -13.853 1.00 42.21 H ATOM 593 N VAL A 41 -8.071 15.147 -7.503 1.00 55.05 N ATOM 594 CA VAL A 41 -8.411 15.241 -6.088 1.00 65.43 C ATOM 595 C VAL A 41 -8.159 16.646 -5.554 1.00 51.13 C ATOM 596 O VAL A 41 -7.185 17.299 -5.930 1.00 52.53 O ATOM 597 CB VAL A 41 -7.602 14.233 -5.249 1.00 54.12 C ATOM 598 CG1 VAL A 41 -7.869 14.436 -3.767 1.00 14.24 C ATOM 599 CG2 VAL A 41 -7.931 12.808 -5.668 1.00 62.32 C ATOM 600 H VAL A 41 -7.131 15.056 -7.764 1.00 50.03 H ATOM 601 HA VAL A 41 -9.460 15.007 -5.980 1.00 50.02 H ATOM 602 HB VAL A 41 -6.551 14.405 -5.430 1.00 54.24 H ATOM 603 HG11 VAL A 41 -8.930 14.357 -3.578 1.00 1.20 H ATOM 604 HG12 VAL A 41 -7.344 13.682 -3.199 1.00 12.33 H ATOM 605 HG13 VAL A 41 -7.525 15.417 -3.470 1.00 61.43 H ATOM 606 HG21 VAL A 41 -7.735 12.687 -6.723 1.00 3.12 H ATOM 607 HG22 VAL A 41 -7.318 12.119 -5.106 1.00 72.42 H ATOM 608 HG23 VAL A 41 -8.974 12.605 -5.470 1.00 42.33 H ATOM 609 N ALA A 42 -9.043 17.106 -4.676 1.00 14.32 N ATOM 610 CA ALA A 42 -8.915 18.434 -4.088 1.00 14.51 C ATOM 611 C ALA A 42 -8.840 18.357 -2.567 1.00 64.54 C ATOM 612 O ALA A 42 -9.267 17.381 -1.949 1.00 63.22 O ATOM 613 CB ALA A 42 -10.081 19.315 -4.515 1.00 63.24 C ATOM 614 H ALA A 42 -9.798 16.539 -4.416 1.00 32.14 H ATOM 615 HA ALA A 42 -8.004 18.879 -4.462 1.00 12.22 H ATOM 616 HB1 ALA A 42 -10.219 20.103 -3.790 1.00 15.22 H ATOM 617 HB2 ALA A 42 -9.869 19.747 -5.482 1.00 4.01 H ATOM 618 HB3 ALA A 42 -10.979 18.719 -4.576 1.00 64.24 H ATOM 619 N PRO A 43 -8.283 19.408 -1.947 1.00 34.32 N ATOM 620 CA PRO A 43 -8.138 19.481 -0.489 1.00 41.45 C ATOM 621 C PRO A 43 -9.478 19.648 0.219 1.00 74.33 C ATOM 622 O PRO A 43 -9.715 19.050 1.268 1.00 74.52 O ATOM 623 CB PRO A 43 -7.266 20.721 -0.282 1.00 43.42 C ATOM 624 CG PRO A 43 -7.512 21.563 -1.487 1.00 63.01 C ATOM 625 CD PRO A 43 -7.753 20.605 -2.620 1.00 61.12 C ATOM 626 HA PRO A 43 -7.631 18.612 -0.097 1.00 45.42 H ATOM 627 HB3 PRO A 43 -6.229 20.429 -0.211 1.00 11.22 H ATOM 628 HG3 PRO A 43 -6.645 22.174 -1.691 1.00 21.30 H ATOM 629 HD3 PRO A 43 -6.827 20.382 -3.129 1.00 62.20 H ATOM 630 N ARG A 44 -10.351 20.465 -0.362 1.00 1.13 N ATOM 631 CA ARG A 44 -11.667 20.710 0.215 1.00 40.21 C ATOM 632 C ARG A 44 -12.440 19.406 0.381 1.00 30.22 C ATOM 633 O ARG A 44 -13.322 19.299 1.233 1.00 55.40 O ATOM 634 CB ARG A 44 -12.461 21.677 -0.666 1.00 55.21 C ATOM 635 CG ARG A 44 -12.266 23.138 -0.298 1.00 23.13 C ATOM 636 CD ARG A 44 -13.032 23.502 0.964 1.00 53.21 C ATOM 637 NE ARG A 44 -13.434 24.906 0.974 1.00 12.42 N ATOM 638 CZ ARG A 44 -13.766 25.568 2.078 1.00 74.31 C ATOM 639 NH1 ARG A 44 -13.743 24.956 3.254 1.00 75.44 N ATOM 640 NH2 ARG A 44 -14.120 26.844 2.006 1.00 11.41 N ATOM 641 H ARG A 44 -10.104 20.913 -1.197 1.00 52.02 H ATOM 642 HA ARG A 44 -11.526 21.158 1.187 1.00 2.42 H ATOM 643 HB3 ARG A 44 -13.512 21.444 -0.580 1.00 22.14 H ATOM 644 HG3 ARG A 44 -12.615 23.756 -1.112 1.00 31.41 H ATOM 645 HD3 ARG A 44 -12.403 23.311 1.819 1.00 12.05 H ATOM 646 HE ARG A 44 -13.457 25.378 0.116 1.00 53.12 H ATOM 647 HH11 ARG A 44 -13.476 23.994 3.311 1.00 42.14 H ATOM 648 HH12 ARG A 44 -13.992 25.456 4.083 1.00 52.13 H ATOM 649 HH21 ARG A 44 -14.138 27.310 1.122 1.00 60.12 H ATOM 650 HH22 ARG A 44 -14.369 27.341 2.836 1.00 13.24 H ATOM 651 N SER A 45 -12.102 18.415 -0.438 1.00 13.40 N ATOM 652 CA SER A 45 -12.768 17.118 -0.384 1.00 64.34 C ATOM 653 C SER A 45 -11.768 16.007 -0.078 1.00 64.04 C ATOM 654 O SER A 45 -11.943 14.864 -0.500 1.00 62.25 O ATOM 655 CB SER A 45 -13.478 16.831 -1.708 1.00 70.43 C ATOM 656 OG SER A 45 -14.598 17.680 -1.881 1.00 75.33 O ATOM 657 H SER A 45 -11.390 18.561 -1.096 1.00 35.23 H ATOM 658 HA SER A 45 -13.501 17.155 0.408 1.00 70.12 H ATOM 659 HB3 SER A 45 -13.813 15.804 -1.717 1.00 15.10 H ATOM 660 HG SER A 45 -15.402 17.198 -1.668 1.00 3.22 H ATOM 661 N LYS A 46 -10.718 16.351 0.660 1.00 3.34 N ATOM 662 CA LYS A 46 -9.688 15.385 1.025 1.00 52.21 C ATOM 663 C LYS A 46 -8.932 15.840 2.269 1.00 42.44 C ATOM 664 O LYS A 46 -8.518 16.996 2.366 1.00 13.23 O ATOM 665 CB LYS A 46 -8.711 15.187 -0.135 1.00 15.41 C ATOM 666 CG LYS A 46 -7.961 13.868 -0.080 1.00 33.53 C ATOM 667 CD LYS A 46 -6.621 14.017 0.621 1.00 41.33 C ATOM 668 CE LYS A 46 -5.524 14.418 -0.353 1.00 34.01 C ATOM 669 NZ LYS A 46 -4.342 14.991 0.348 1.00 51.01 N1+ ATOM 670 H LYS A 46 -10.633 17.279 0.967 1.00 52.12 H ATOM 671 HA LYS A 46 -10.176 14.446 1.239 1.00 53.53 H ATOM 672 HB3 LYS A 46 -7.987 15.989 -0.122 1.00 0.31 H ATOM 673 HG3 LYS A 46 -7.792 13.517 -1.088 1.00 44.43 H ATOM 674 HD3 LYS A 46 -6.357 13.075 1.079 1.00 33.53 H ATOM 675 HE3 LYS A 46 -5.920 15.156 -1.036 1.00 25.31 H ATOM 676 HZ1 LYS A 46 -4.432 16.026 0.412 1.00 21.41 H ATOM 677 HZ2 LYS A 46 -3.471 14.762 -0.173 1.00 51.12 H ATOM 678 HZ3 LYS A 46 -4.271 14.600 1.309 1.00 72.33 H ATOM 679 N ILE A 47 -8.753 14.926 3.216 1.00 55.02 N ATOM 680 CA ILE A 47 -8.044 15.233 4.451 1.00 51.32 C ATOM 681 C ILE A 47 -6.580 14.819 4.361 1.00 25.32 C ATOM 682 O ILE A 47 -6.203 14.013 3.510 1.00 23.34 O ATOM 683 CB ILE A 47 -8.691 14.533 5.660 1.00 14.45 C ATOM 684 CG1 ILE A 47 -10.214 14.511 5.511 1.00 41.05 C ATOM 685 CG2 ILE A 47 -8.291 15.231 6.952 1.00 2.32 C ATOM 686 CD1 ILE A 47 -10.923 13.814 6.650 1.00 42.02 C ATOM 687 H ILE A 47 -9.106 14.022 3.079 1.00 22.21 H ATOM 688 HA ILE A 47 -8.096 16.301 4.608 1.00 34.11 H ATOM 689 HB ILE A 47 -8.326 13.519 5.700 1.00 43.01 H ATOM 690 HG13 ILE A 47 -10.469 13.998 4.595 1.00 54.31 H ATOM 691 HG21 ILE A 47 -8.462 16.294 6.855 1.00 24.31 H ATOM 692 HG22 ILE A 47 -8.884 14.846 7.768 1.00 61.13 H ATOM 693 HG23 ILE A 47 -7.245 15.051 7.151 1.00 61.44 H ATOM 694 HD11 ILE A 47 -11.490 14.538 7.218 1.00 35.32 H ATOM 695 HD12 ILE A 47 -11.593 13.065 6.253 1.00 41.45 H ATOM 696 HD13 ILE A 47 -10.196 13.342 7.293 1.00 4.01 H ATOM 697 N SER A 48 -5.758 15.373 5.247 1.00 4.31 N ATOM 698 CA SER A 48 -4.334 15.063 5.267 1.00 5.13 C ATOM 699 C SER A 48 -3.779 15.146 6.687 1.00 50.12 C ATOM 700 O SER A 48 -3.017 16.050 7.032 1.00 53.45 O ATOM 701 CB SER A 48 -3.568 16.021 4.353 1.00 61.11 C ATOM 702 OG SER A 48 -3.901 15.802 2.993 1.00 73.25 O ATOM 703 H SER A 48 -6.118 16.009 5.901 1.00 54.55 H ATOM 704 HA SER A 48 -4.209 14.054 4.903 1.00 1.53 H ATOM 705 HB3 SER A 48 -2.506 15.865 4.481 1.00 53.24 H ATOM 706 HG SER A 48 -3.301 16.301 2.432 1.00 34.30 H ATOM 707 N PRO A 49 -4.171 14.180 7.532 1.00 43.23 N ATOM 708 CA PRO A 49 -3.726 14.121 8.927 1.00 54.02 C ATOM 709 C PRO A 49 -2.248 13.765 9.049 1.00 1.25 C ATOM 710 O PRO A 49 -1.510 14.395 9.806 1.00 4.21 O ATOM 711 CB PRO A 49 -4.595 13.015 9.529 1.00 31.52 C ATOM 712 CG PRO A 49 -4.965 12.151 8.372 1.00 10.35 C ATOM 713 CD PRO A 49 -5.078 13.072 7.189 1.00 64.31 C ATOM 714 HA PRO A 49 -3.915 15.051 9.443 1.00 20.42 H ATOM 715 HB3 PRO A 49 -5.467 13.448 9.993 1.00 10.41 H ATOM 716 HG3 PRO A 49 -5.912 11.669 8.563 1.00 11.14 H ATOM 717 HD3 PRO A 49 -6.092 13.425 7.080 1.00 55.12 H ATOM 718 N GLN A 50 -1.824 12.752 8.301 1.00 34.34 N ATOM 719 CA GLN A 50 -0.435 12.313 8.328 1.00 63.24 C ATOM 720 C GLN A 50 -0.021 11.895 9.735 1.00 54.30 C ATOM 721 O GLN A 50 1.164 11.852 10.058 1.00 43.33 O ATOM 722 CB GLN A 50 0.485 13.428 7.824 1.00 75.25 C ATOM 723 CG GLN A 50 0.600 13.482 6.309 1.00 23.50 C ATOM 724 CD GLN A 50 -0.414 14.415 5.678 1.00 22.11 C ATOM 725 OE1 GLN A 50 -1.162 14.023 4.782 1.00 41.13 O ATOM 726 NE2 GLN A 50 -0.446 15.657 6.144 1.00 3.32 N ATOM 727 H GLN A 50 -2.461 12.289 7.718 1.00 35.13 H ATOM 728 HA GLN A 50 -0.344 11.461 7.671 1.00 20.54 H ATOM 729 HB3 GLN A 50 1.472 13.276 8.234 1.00 64.23 H ATOM 730 HG3 GLN A 50 0.450 12.488 5.914 1.00 55.21 H ATOM 731 HE21 GLN A 50 0.181 15.900 6.859 1.00 64.53 H ATOM 732 HE22 GLN A 50 -1.091 16.282 5.755 1.00 53.04 H ATOM 733 N GLY A 51 -1.010 11.589 10.569 1.00 34.05 N ATOM 734 CA GLY A 51 -0.729 11.179 11.933 1.00 11.14 C ATOM 735 C GLY A 51 -0.966 9.698 12.155 1.00 52.30 C ATOM 736 O GLY A 51 -1.717 9.310 13.049 1.00 33.44 O ATOM 737 H GLY A 51 -1.938 11.642 10.258 1.00 63.33 H ATOM 738 HA2 GLY A 51 0.302 11.407 12.161 1.00 74.40 H ATOM 739 HA3 GLY A 51 -1.367 11.738 12.604 1.00 45.05 H ATOM 740 N TYR A 52 -0.327 8.870 11.337 1.00 25.21 N ATOM 741 CA TYR A 52 -0.474 7.424 11.445 1.00 73.12 C ATOM 742 C TYR A 52 0.725 6.805 12.157 1.00 72.14 C ATOM 743 O TYR A 52 1.827 7.343 12.062 1.00 14.33 O ATOM 744 CB TYR A 52 -0.633 6.802 10.056 1.00 72.23 C ATOM 745 CG TYR A 52 -1.445 7.649 9.102 1.00 41.51 C ATOM 746 CD1 TYR A 52 -2.655 8.206 9.495 1.00 14.21 C ATOM 747 CD2 TYR A 52 -1.001 7.891 7.808 1.00 52.22 C ATOM 748 CE1 TYR A 52 -3.400 8.981 8.627 1.00 61.13 C ATOM 749 CE2 TYR A 52 -1.739 8.666 6.934 1.00 53.14 C ATOM 750 CZ TYR A 52 -2.938 9.208 7.347 1.00 3.24 C ATOM 751 OH TYR A 52 -3.676 9.979 6.479 1.00 21.41 O ATOM 752 H TYR A 52 0.259 9.240 10.642 1.00 0.23 H ATOM 753 HA TYR A 52 -1.365 7.224 12.022 1.00 71.11 H ATOM 754 HB3 TYR A 52 -1.127 5.845 10.152 1.00 3.11 H ATOM 755 HD1 TYR A 52 -3.016 8.027 10.498 1.00 65.02 H ATOM 756 HD2 TYR A 52 -0.062 7.465 7.487 1.00 40.24 H ATOM 757 HE1 TYR A 52 -4.339 9.406 8.950 1.00 2.24 H ATOM 758 HE2 TYR A 52 -1.378 8.844 5.932 1.00 63.35 H ATOM 759 HH TYR A 52 -3.214 10.803 6.311 1.00 62.15 H HETATM 760 N NH2 A 53 0.486 5.699 12.847 1.00 62.32 N HETATM 761 HN1 NH2 A 53 -0.438 5.319 12.878 1.00 71.55 H HETATM 762 HN2 NH2 A 53 1.231 5.245 13.335 1.00 33.23 H TER 763 NH2 A 53