HETATM 1 C ACE A 0 -0.736 -0.304 -2.446 1.00 0.57 C HETATM 2 O ACE A 0 -0.501 -0.145 -3.630 1.00 -0.57 O HETATM 3 CH3 ACE A 0 -2.161 -0.523 -2.031 1.00 0.06 C HETATM 4 H1 ACE A 0 -2.479 0.300 -1.374 1.00 0.00 H HETATM 5 H2 ACE A 0 -2.249 -1.481 -1.497 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.809 -0.544 -2.920 1.00 0.00 H ATOM 7 N LYS A 1 0.230 -0.298 -1.503 1.00 -0.73 N ATOM 8 CA LYS A 1 1.616 -0.031 -1.880 1.00 0.36 C ATOM 9 C LYS A 1 2.296 -1.327 -2.249 1.00 0.57 C ATOM 10 O LYS A 1 3.362 -1.627 -1.734 1.00 -0.57 O ATOM 11 CB LYS A 1 2.310 0.703 -0.701 1.00 0.00 C ATOM 12 CG LYS A 1 3.486 1.604 -1.158 1.00 0.00 C ATOM 13 CD LYS A 1 4.031 2.422 0.047 1.00 0.00 C ATOM 14 CE LYS A 1 3.563 3.903 0.029 1.00 0.50 C ATOM 15 NZ LYS A 1 4.368 4.732 -0.896 1.00 -0.85 N ATOM 16 H LYS A 1 0.011 -0.490 -0.547 1.00 0.37 H ATOM 17 HA LYS A 1 1.638 0.637 -2.750 1.00 0.00 H ATOM 18 HB2 LYS A 1 1.571 1.361 -0.220 1.00 0.00 H ATOM 19 HB3 LYS A 1 2.655 -0.032 0.044 1.00 0.00 H ATOM 20 HG2 LYS A 1 4.282 0.971 -1.581 1.00 0.00 H ATOM 21 HG3 LYS A 1 3.141 2.290 -1.946 1.00 0.00 H ATOM 22 HD2 LYS A 1 3.686 1.969 0.990 1.00 0.00 H ATOM 23 HD3 LYS A 1 5.130 2.385 0.054 1.00 0.00 H ATOM 24 HE2 LYS A 1 2.495 3.968 -0.235 1.00 0.00 H ATOM 25 HE3 LYS A 1 3.686 4.315 1.043 1.00 0.00 H ATOM 26 HZ1 LYS A 1 4.185 4.488 -1.932 1.00 0.45 H ATOM 27 HZ2 LYS A 1 5.428 4.627 -0.708 1.00 0.45 H ATOM 28 HZ3 LYS A 1 4.131 5.778 -0.759 1.00 0.45 H ATOM 29 N PHE A 2 1.690 -2.129 -3.149 1.00 -0.73 N ATOM 30 CA PHE A 2 2.246 -3.442 -3.452 1.00 0.36 C ATOM 31 C PHE A 2 3.309 -3.279 -4.508 1.00 0.57 C ATOM 32 O PHE A 2 3.156 -3.783 -5.608 1.00 -0.57 O ATOM 33 CB PHE A 2 1.104 -4.394 -3.894 1.00 0.14 C ATOM 34 CG PHE A 2 1.547 -5.858 -4.043 1.00 -0.14 C ATOM 35 CD1 PHE A 2 2.132 -6.544 -2.972 1.00 -0.15 C ATOM 36 CD2 PHE A 2 1.357 -6.532 -5.254 1.00 -0.15 C ATOM 37 CE1 PHE A 2 2.558 -7.864 -3.121 1.00 -0.15 C ATOM 38 CE2 PHE A 2 1.740 -7.868 -5.391 1.00 -0.15 C ATOM 39 CZ PHE A 2 2.350 -8.535 -4.327 1.00 -0.15 C ATOM 40 H PHE A 2 0.885 -1.820 -3.658 1.00 0.37 H ATOM 41 HA PHE A 2 2.712 -3.857 -2.546 1.00 0.00 H ATOM 42 HB2 PHE A 2 0.310 -4.372 -3.133 1.00 0.00 H ATOM 43 HB3 PHE A 2 0.679 -4.016 -4.838 1.00 0.00 H ATOM 44 HD1 PHE A 2 2.257 -6.066 -2.008 1.00 0.15 H ATOM 45 HD2 PHE A 2 0.903 -6.026 -6.100 1.00 0.15 H ATOM 46 HE1 PHE A 2 3.051 -8.371 -2.297 1.00 0.15 H ATOM 47 HE2 PHE A 2 1.562 -8.390 -6.325 1.00 0.15 H ATOM 48 HZ PHE A 2 2.660 -9.569 -4.436 1.00 0.15 H ATOM 49 N GLU A 3 4.403 -2.568 -4.164 1.00 -0.73 N ATOM 50 CA GLU A 3 5.493 -2.381 -5.113 1.00 0.36 C ATOM 51 C GLU A 3 4.997 -1.558 -6.280 1.00 0.57 C ATOM 52 O GLU A 3 4.895 -2.049 -7.393 1.00 -0.57 O ATOM 53 CB GLU A 3 6.097 -3.767 -5.478 1.00 0.00 C ATOM 54 CG GLU A 3 7.580 -3.720 -5.938 1.00 -0.11 C ATOM 55 CD GLU A 3 8.404 -4.799 -5.297 1.00 0.91 C ATOM 56 OE1 GLU A 3 8.244 -5.981 -5.701 1.00 -0.90 O ATOM 57 OE2 GLU A 3 9.224 -4.463 -4.401 1.00 -0.90 O ATOM 58 H GLU A 3 4.495 -2.174 -3.246 1.00 0.37 H ATOM 59 HA GLU A 3 6.264 -1.789 -4.594 1.00 0.00 H ATOM 60 HB2 GLU A 3 6.051 -4.378 -4.564 1.00 0.00 H ATOM 61 HB3 GLU A 3 5.499 -4.273 -6.253 1.00 0.00 H ATOM 62 HG2 GLU A 3 7.647 -3.896 -7.021 1.00 0.00 H ATOM 63 HG3 GLU A 3 8.056 -2.761 -5.692 1.00 0.00 H ATOM 64 N ASP A 4 4.682 -0.268 -6.030 1.00 -0.73 N ATOM 65 CA ASP A 4 4.179 0.590 -7.096 1.00 0.36 C ATOM 66 C ASP A 4 4.493 2.032 -6.789 1.00 0.57 C ATOM 67 O ASP A 4 5.083 2.301 -5.754 1.00 -0.57 O ATOM 68 CB ASP A 4 2.666 0.330 -7.266 1.00 -0.11 C ATOM 69 CG ASP A 4 1.956 0.401 -5.948 1.00 0.91 C ATOM 70 OD1 ASP A 4 2.407 1.177 -5.061 1.00 -0.90 O ATOM 71 OD2 ASP A 4 0.955 -0.347 -5.797 1.00 -0.90 O ATOM 72 H ASP A 4 4.713 0.125 -5.109 1.00 0.37 H ATOM 73 HA ASP A 4 4.695 0.381 -8.040 1.00 0.00 H ATOM 74 HB2 ASP A 4 2.214 1.044 -7.963 1.00 0.00 H ATOM 75 HB3 ASP A 4 2.514 -0.681 -7.669 1.00 0.00 H ATOM 76 N TRP A 5 4.129 2.965 -7.695 1.00 -0.73 N ATOM 77 CA TRP A 5 4.371 4.378 -7.450 1.00 0.36 C ATOM 78 C TRP A 5 3.250 5.190 -8.040 1.00 0.57 C ATOM 79 O TRP A 5 2.520 4.654 -8.858 1.00 -0.57 O ATOM 80 CB TRP A 5 5.712 4.777 -8.097 1.00 0.18 C ATOM 81 CG TRP A 5 5.773 4.299 -9.520 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.274 3.130 -9.936 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.307 5.022 -10.749 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.200 3.041 -11.239 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.668 4.163 -11.770 1.00 -0.15 C ATOM 86 CE3 TRP A 5 4.678 6.245 -10.981 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.483 4.510 -13.103 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 4.492 6.594 -12.319 1.00 -0.15 C ATOM 89 CH2 TRP A 5 4.915 5.760 -13.357 1.00 -0.15 C ATOM 90 H TRP A 5 3.726 2.713 -8.577 1.00 0.37 H ATOM 91 HA TRP A 5 4.405 4.590 -6.369 1.00 0.00 H ATOM 92 HB2 TRP A 5 5.875 5.864 -8.065 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.516 4.286 -7.527 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.659 2.424 -9.215 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.511 2.225 -11.789 1.00 0.27 H ATOM 96 HE3 TRP A 5 4.375 6.880 -10.162 1.00 0.15 H ATOM 97 HZ2 TRP A 5 5.758 3.877 -13.929 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.027 7.523 -12.594 1.00 0.15 H ATOM 99 HH2 TRP A 5 4.811 6.098 -14.372 1.00 0.15 H ATOM 100 N LEU A 6 3.126 6.468 -7.615 1.00 -0.73 N ATOM 101 CA LEU A 6 2.048 7.328 -8.088 1.00 0.36 C ATOM 102 C LEU A 6 2.635 8.376 -8.987 1.00 0.57 C ATOM 103 O LEU A 6 3.574 9.046 -8.588 1.00 -0.57 O ATOM 104 CB LEU A 6 1.370 8.068 -6.915 1.00 0.00 C ATOM 105 CG LEU A 6 0.395 7.131 -6.146 1.00 0.00 C ATOM 106 CD1 LEU A 6 0.622 7.258 -4.621 1.00 0.00 C ATOM 107 CD2 LEU A 6 -1.081 7.435 -6.523 1.00 0.00 C ATOM 108 H LEU A 6 3.790 6.871 -6.986 1.00 0.37 H ATOM 109 HA LEU A 6 1.273 6.759 -8.614 1.00 0.00 H ATOM 110 HB2 LEU A 6 2.155 8.462 -6.252 1.00 0.00 H ATOM 111 HB3 LEU A 6 0.830 8.936 -7.324 1.00 0.00 H ATOM 112 HG LEU A 6 0.601 6.076 -6.393 1.00 0.00 H ATOM 113 HD11 LEU A 6 -0.070 6.597 -4.076 1.00 0.00 H ATOM 114 HD12 LEU A 6 0.462 8.296 -4.295 1.00 0.00 H ATOM 115 HD13 LEU A 6 1.652 6.953 -4.375 1.00 0.00 H ATOM 116 HD21 LEU A 6 -1.283 7.074 -7.543 1.00 0.00 H ATOM 117 HD22 LEU A 6 -1.297 8.514 -6.476 1.00 0.00 H ATOM 118 HD23 LEU A 6 -1.766 6.923 -5.830 1.00 0.00 H ATOM 119 N CYS A 7 2.102 8.520 -10.212 1.00 -0.73 N ATOM 120 CA CYS A 7 2.674 9.500 -11.114 1.00 0.36 C ATOM 121 C CYS A 7 2.584 10.909 -10.581 1.00 0.57 C ATOM 122 O CYS A 7 1.670 11.194 -9.826 1.00 -0.57 O ATOM 123 CB CYS A 7 1.905 9.377 -12.447 1.00 0.05 C ATOM 124 SG CYS A 7 2.708 10.410 -13.670 1.00 -1.05 S ATOM 125 H CYS A 7 1.342 7.948 -10.532 1.00 0.37 H ATOM 126 HA CYS A 7 3.740 9.277 -11.246 1.00 0.00 H ATOM 127 HB2 CYS A 7 1.860 8.346 -12.831 1.00 0.00 H ATOM 128 HB3 CYS A 7 0.887 9.753 -12.320 1.00 0.00 H ATOM 129 N ASN A 8 3.517 11.804 -10.985 1.00 -0.73 N ATOM 130 CA ASN A 8 3.504 13.186 -10.503 1.00 0.36 C ATOM 131 C ASN A 8 2.796 14.101 -11.483 1.00 0.57 C ATOM 132 O ASN A 8 3.070 15.291 -11.504 1.00 -0.57 O ATOM 133 CB ASN A 8 4.969 13.644 -10.238 1.00 0.06 C ATOM 134 CG ASN A 8 5.158 14.068 -8.803 1.00 0.57 C ATOM 135 OD1 ASN A 8 5.048 13.225 -7.928 1.00 -0.57 O ATOM 136 ND2 ASN A 8 5.449 15.349 -8.508 1.00 -0.80 N ATOM 137 H ASN A 8 4.207 11.550 -11.664 1.00 0.37 H ATOM 138 HA ASN A 8 2.945 13.255 -9.558 1.00 0.00 H ATOM 139 HB2 ASN A 8 5.669 12.808 -10.384 1.00 0.00 H ATOM 140 HB3 ASN A 8 5.275 14.433 -10.942 1.00 0.00 H ATOM 141 HD21 ASN A 8 5.538 16.047 -9.218 1.00 0.37 H ATOM 142 HD22 ASN A 8 5.583 15.598 -7.549 1.00 0.37 H ATOM 143 N LYS A 9 1.877 13.558 -12.309 1.00 -0.73 N ATOM 144 CA LYS A 9 1.212 14.339 -13.348 1.00 0.36 C ATOM 145 C LYS A 9 -0.251 13.972 -13.363 1.00 0.57 C ATOM 146 O LYS A 9 -1.079 14.844 -13.160 1.00 -0.57 O ATOM 147 CB LYS A 9 1.915 14.024 -14.697 1.00 0.00 C ATOM 148 CG LYS A 9 2.515 15.279 -15.385 1.00 0.00 C ATOM 149 CD LYS A 9 1.491 16.023 -16.292 1.00 0.00 C ATOM 150 CE LYS A 9 2.055 16.239 -17.721 1.00 0.50 C ATOM 151 NZ LYS A 9 3.101 17.282 -17.747 1.00 -0.85 N ATOM 152 H LYS A 9 1.685 12.587 -12.265 1.00 0.37 H ATOM 153 HA LYS A 9 1.249 15.415 -13.120 1.00 0.00 H ATOM 154 HB2 LYS A 9 2.753 13.340 -14.486 1.00 0.00 H ATOM 155 HB3 LYS A 9 1.244 13.493 -15.390 1.00 0.00 H ATOM 156 HG2 LYS A 9 2.940 15.972 -14.641 1.00 0.00 H ATOM 157 HG3 LYS A 9 3.357 14.918 -15.992 1.00 0.00 H ATOM 158 HD2 LYS A 9 0.558 15.446 -16.394 1.00 0.00 H ATOM 159 HD3 LYS A 9 1.227 16.995 -15.846 1.00 0.00 H ATOM 160 HE2 LYS A 9 2.454 15.289 -18.118 1.00 0.00 H ATOM 161 HE3 LYS A 9 1.234 16.554 -18.384 1.00 0.00 H ATOM 162 HZ1 LYS A 9 3.502 17.381 -18.745 1.00 0.45 H ATOM 163 HZ2 LYS A 9 3.926 17.064 -17.085 1.00 0.45 H ATOM 164 HZ3 LYS A 9 2.688 18.240 -17.462 1.00 0.45 H ATOM 165 N CYS A 10 -0.586 12.684 -13.585 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.978 12.260 -13.498 1.00 0.36 C ATOM 167 C CYS A 10 -2.288 11.539 -12.200 1.00 0.57 C ATOM 168 O CYS A 10 -3.423 11.126 -12.022 1.00 -0.57 O ATOM 169 CB CYS A 10 -2.262 11.364 -14.718 1.00 0.05 C ATOM 170 SG CYS A 10 -1.216 9.895 -14.583 1.00 -1.05 S ATOM 171 H CYS A 10 0.109 12.001 -13.791 1.00 0.37 H ATOM 172 HA CYS A 10 -2.670 13.108 -13.589 1.00 0.00 H ATOM 173 HB2 CYS A 10 -3.329 11.108 -14.738 1.00 0.00 H ATOM 174 HB3 CYS A 10 -2.008 11.890 -15.648 1.00 0.00 H ATOM 175 N CYS A 11 -1.320 11.371 -11.267 1.00 -0.73 N ATOM 176 CA CYS A 11 -1.628 10.752 -9.981 1.00 0.36 C ATOM 177 C CYS A 11 -2.066 9.311 -10.108 1.00 0.57 C ATOM 178 O CYS A 11 -2.662 8.781 -9.184 1.00 -0.57 O ATOM 179 CB CYS A 11 -2.659 11.639 -9.238 1.00 0.23 C ATOM 180 SG CYS A 11 -2.150 11.906 -7.509 1.00 -0.41 S ATOM 181 H CYS A 11 -0.384 11.686 -11.395 1.00 0.37 H ATOM 182 HA CYS A 11 -0.711 10.726 -9.372 1.00 0.00 H ATOM 183 HB2 CYS A 11 -2.693 12.630 -9.717 1.00 0.00 H ATOM 184 HB3 CYS A 11 -3.667 11.196 -9.273 1.00 0.00 H ATOM 185 HG CYS A 11 -2.790 12.657 -7.298 1.00 0.18 H ATOM 186 N LEU A 12 -1.772 8.657 -11.249 1.00 -0.73 N ATOM 187 CA LEU A 12 -2.197 7.283 -11.448 1.00 0.36 C ATOM 188 C LEU A 12 -1.162 6.354 -10.869 1.00 0.57 C ATOM 189 O LEU A 12 0.025 6.596 -11.027 1.00 -0.57 O ATOM 190 CB LEU A 12 -2.293 6.985 -12.962 1.00 0.00 C ATOM 191 CG LEU A 12 -2.994 5.637 -13.300 1.00 0.00 C ATOM 192 CD1 LEU A 12 -4.538 5.797 -13.393 1.00 0.00 C ATOM 193 CD2 LEU A 12 -2.395 4.967 -14.572 1.00 0.00 C ATOM 194 H LEU A 12 -1.250 9.081 -11.977 1.00 0.37 H ATOM 195 HA LEU A 12 -3.196 7.155 -11.002 1.00 0.00 H ATOM 196 HB2 LEU A 12 -2.878 7.800 -13.388 1.00 0.00 H ATOM 197 HB3 LEU A 12 -1.271 7.042 -13.367 1.00 0.00 H ATOM 198 HG LEU A 12 -2.809 4.936 -12.475 1.00 0.00 H ATOM 199 HD11 LEU A 12 -4.846 6.100 -14.401 1.00 0.00 H ATOM 200 HD12 LEU A 12 -4.911 6.549 -12.683 1.00 0.00 H ATOM 201 HD13 LEU A 12 -5.027 4.838 -13.164 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.711 5.640 -15.102 1.00 0.00 H ATOM 203 HD22 LEU A 12 -3.179 4.644 -15.272 1.00 0.00 H ATOM 204 HD23 LEU A 12 -1.811 4.078 -14.290 1.00 0.00 H ATOM 205 N ASN A 13 -1.628 5.280 -10.204 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.710 4.286 -9.674 1.00 0.36 C ATOM 207 C ASN A 13 -0.094 3.460 -10.779 1.00 0.57 C ATOM 208 O ASN A 13 -0.744 3.265 -11.793 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.458 3.386 -8.660 1.00 0.06 C ATOM 210 CG ASN A 13 -0.763 2.069 -8.481 1.00 0.57 C ATOM 211 OD1 ASN A 13 0.014 1.950 -7.551 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -1.023 1.067 -9.347 1.00 -0.80 N ATOM 213 H ASN A 13 -2.608 5.138 -10.091 1.00 0.37 H ATOM 214 HA ASN A 13 0.083 4.804 -9.125 1.00 0.00 H ATOM 215 HB2 ASN A 13 -1.525 3.920 -7.698 1.00 0.00 H ATOM 216 HB3 ASN A 13 -2.481 3.157 -8.993 1.00 0.00 H ATOM 217 HD21 ASN A 13 -1.665 1.183 -10.107 1.00 0.37 H ATOM 218 HD22 ASN A 13 -0.570 0.186 -9.212 1.00 0.37 H ATOM 219 N ASN A 14 1.147 2.958 -10.590 1.00 -0.73 N ATOM 220 CA ASN A 14 1.764 2.103 -11.596 1.00 0.36 C ATOM 221 C ASN A 14 2.751 1.156 -10.961 1.00 0.57 C ATOM 222 O ASN A 14 3.457 1.561 -10.052 1.00 -0.57 O ATOM 223 CB ASN A 14 2.562 2.928 -12.625 1.00 0.06 C ATOM 224 CG ASN A 14 1.622 3.525 -13.630 1.00 0.57 C ATOM 225 OD1 ASN A 14 1.032 2.786 -14.403 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.448 4.856 -13.658 1.00 -0.80 N ATOM 227 H ASN A 14 1.681 3.176 -9.770 1.00 0.37 H ATOM 228 HA ASN A 14 0.981 1.525 -12.110 1.00 0.00 H ATOM 229 HB2 ASN A 14 3.115 3.692 -12.065 1.00 0.00 H ATOM 230 HB3 ASN A 14 3.279 2.289 -13.165 1.00 0.00 H ATOM 231 HD21 ASN A 14 1.954 5.486 -13.068 1.00 0.37 H ATOM 232 HD22 ASN A 14 0.764 5.210 -14.288 1.00 0.37 H ATOM 233 N PHE A 15 2.799 -0.104 -11.449 1.00 -0.73 N ATOM 234 CA PHE A 15 3.689 -1.096 -10.858 1.00 0.36 C ATOM 235 C PHE A 15 5.111 -0.585 -10.759 1.00 0.57 C ATOM 236 O PHE A 15 5.552 0.190 -11.591 1.00 -0.57 O ATOM 237 CB PHE A 15 3.672 -2.451 -11.631 1.00 0.14 C ATOM 238 CG PHE A 15 3.072 -3.576 -10.778 1.00 -0.14 C ATOM 239 CD1 PHE A 15 3.879 -4.274 -9.875 1.00 -0.15 C ATOM 240 CD2 PHE A 15 1.722 -3.919 -10.899 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.351 -5.323 -9.120 1.00 -0.15 C ATOM 242 CE2 PHE A 15 1.197 -4.979 -10.156 1.00 -0.15 C ATOM 243 CZ PHE A 15 2.011 -5.686 -9.270 1.00 -0.15 C ATOM 244 H PHE A 15 2.187 -0.384 -12.185 1.00 0.37 H ATOM 245 HA PHE A 15 3.303 -1.286 -9.847 1.00 0.00 H ATOM 246 HB2 PHE A 15 3.112 -2.391 -12.576 1.00 0.00 H ATOM 247 HB3 PHE A 15 4.693 -2.745 -11.911 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.922 -4.011 -9.751 1.00 0.15 H ATOM 249 HD2 PHE A 15 1.072 -3.367 -11.569 1.00 0.15 H ATOM 250 HE1 PHE A 15 3.982 -5.858 -8.418 1.00 0.15 H ATOM 251 HE2 PHE A 15 0.153 -5.255 -10.267 1.00 0.15 H ATOM 252 HZ PHE A 15 1.606 -6.514 -8.699 1.00 0.15 H ATOM 253 N ARG A 16 5.872 -1.035 -9.745 1.00 -0.73 N ATOM 254 CA ARG A 16 7.279 -0.639 -9.643 1.00 0.36 C ATOM 255 C ARG A 16 8.081 -1.126 -10.817 1.00 0.57 C ATOM 256 O ARG A 16 9.051 -0.493 -11.201 1.00 -0.57 O ATOM 257 CB ARG A 16 7.941 -1.147 -8.339 1.00 0.00 C ATOM 258 CG ARG A 16 8.200 -0.029 -7.302 1.00 0.00 C ATOM 259 CD ARG A 16 9.323 0.941 -7.747 1.00 0.33 C ATOM 260 NE ARG A 16 10.226 1.207 -6.628 1.00 -0.84 N ATOM 261 CZ ARG A 16 11.135 0.362 -6.195 1.00 1.20 C ATOM 262 NH1 ARG A 16 11.324 -0.828 -6.706 1.00 -0.97 N ATOM 263 NH2 ARG A 16 11.899 0.721 -5.195 1.00 -0.97 N ATOM 264 H ARG A 16 5.470 -1.664 -9.075 1.00 0.37 H ATOM 265 HA ARG A 16 7.376 0.443 -9.698 1.00 0.00 H ATOM 266 HB2 ARG A 16 7.276 -1.853 -7.850 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.855 -1.703 -8.583 1.00 0.00 H ATOM 268 HG2 ARG A 16 7.264 0.520 -7.106 1.00 0.00 H ATOM 269 HG3 ARG A 16 8.508 -0.498 -6.356 1.00 0.00 H ATOM 270 HD2 ARG A 16 9.876 0.584 -8.630 1.00 0.00 H ATOM 271 HD3 ARG A 16 8.850 1.892 -8.043 1.00 0.00 H ATOM 272 HE ARG A 16 10.129 2.122 -6.167 1.00 0.45 H ATOM 273 HH11 ARG A 16 10.767 -1.171 -7.489 1.00 0.45 H ATOM 274 HH12 ARG A 16 12.040 -1.464 -6.329 1.00 0.45 H ATOM 275 HH21 ARG A 16 11.801 1.643 -4.749 1.00 0.45 H ATOM 276 HH22 ARG A 16 12.624 0.088 -4.826 1.00 0.45 H ATOM 277 N LYS A 17 7.671 -2.268 -11.388 1.00 -0.73 N ATOM 278 CA LYS A 17 8.364 -2.777 -12.558 1.00 0.36 C ATOM 279 C LYS A 17 8.209 -1.831 -13.729 1.00 0.57 C ATOM 280 O LYS A 17 9.045 -1.840 -14.618 1.00 -0.57 O ATOM 281 CB LYS A 17 7.735 -4.141 -12.946 1.00 0.00 C ATOM 282 CG LYS A 17 8.806 -5.089 -13.524 1.00 0.00 C ATOM 283 CD LYS A 17 8.130 -6.339 -14.134 1.00 0.00 C ATOM 284 CE LYS A 17 9.206 -7.329 -14.656 1.00 0.50 C ATOM 285 NZ LYS A 17 8.942 -7.771 -16.040 1.00 -0.85 N ATOM 286 H LYS A 17 6.891 -2.758 -11.014 1.00 0.37 H ATOM 287 HA LYS A 17 9.429 -2.897 -12.303 1.00 0.00 H ATOM 288 HB2 LYS A 17 7.321 -4.674 -12.076 1.00 0.00 H ATOM 289 HB3 LYS A 17 6.918 -3.965 -13.663 1.00 0.00 H ATOM 290 HG2 LYS A 17 9.385 -4.563 -14.298 1.00 0.00 H ATOM 291 HG3 LYS A 17 9.483 -5.395 -12.709 1.00 0.00 H ATOM 292 HD2 LYS A 17 7.497 -6.835 -13.381 1.00 0.00 H ATOM 293 HD3 LYS A 17 7.476 -5.998 -14.951 1.00 0.00 H ATOM 294 HE2 LYS A 17 10.199 -6.850 -14.637 1.00 0.00 H ATOM 295 HE3 LYS A 17 9.249 -8.204 -13.987 1.00 0.00 H ATOM 296 HZ1 LYS A 17 8.149 -8.506 -16.067 1.00 0.45 H ATOM 297 HZ2 LYS A 17 9.833 -8.223 -16.456 1.00 0.45 H ATOM 298 HZ3 LYS A 17 8.688 -6.956 -16.702 1.00 0.45 H ATOM 299 N ARG A 18 7.129 -1.019 -13.756 1.00 -0.73 N ATOM 300 CA ARG A 18 6.912 -0.137 -14.894 1.00 0.36 C ATOM 301 C ARG A 18 8.112 0.773 -15.072 1.00 0.57 C ATOM 302 O ARG A 18 8.823 1.023 -14.112 1.00 -0.57 O ATOM 303 CB ARG A 18 5.670 0.793 -14.728 1.00 0.00 C ATOM 304 CG ARG A 18 4.744 0.869 -15.969 1.00 0.00 C ATOM 305 CD ARG A 18 3.736 -0.313 -15.963 1.00 0.33 C ATOM 306 NE ARG A 18 3.582 -0.957 -17.264 1.00 -0.84 N ATOM 307 CZ ARG A 18 3.031 -2.139 -17.417 1.00 1.20 C ATOM 308 NH1 ARG A 18 2.451 -2.801 -16.446 1.00 -0.97 N ATOM 309 NH2 ARG A 18 3.067 -2.689 -18.603 1.00 -0.97 N ATOM 310 H ARG A 18 6.459 -1.018 -13.019 1.00 0.37 H ATOM 311 HA ARG A 18 6.781 -0.785 -15.775 1.00 0.00 H ATOM 312 HB2 ARG A 18 5.025 0.529 -13.882 1.00 0.00 H ATOM 313 HB3 ARG A 18 6.061 1.790 -14.519 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.177 1.814 -15.934 1.00 0.00 H ATOM 315 HG3 ARG A 18 5.361 0.888 -16.877 1.00 0.00 H ATOM 316 HD2 ARG A 18 4.135 -1.073 -15.277 1.00 0.00 H ATOM 317 HD3 ARG A 18 2.759 0.042 -15.594 1.00 0.00 H ATOM 318 HE ARG A 18 3.971 -0.469 -18.084 1.00 0.45 H ATOM 319 HH11 ARG A 18 2.358 -2.411 -15.501 1.00 0.45 H ATOM 320 HH12 ARG A 18 2.051 -3.735 -16.610 1.00 0.45 H ATOM 321 HH21 ARG A 18 3.555 -2.233 -19.386 1.00 0.45 H ATOM 322 HH22 ARG A 18 2.632 -3.605 -18.781 1.00 0.45 H ATOM 323 N LEU A 19 8.302 1.288 -16.303 1.00 -0.73 N ATOM 324 CA LEU A 19 9.341 2.279 -16.576 1.00 0.36 C ATOM 325 C LEU A 19 8.759 3.633 -16.904 1.00 0.57 C ATOM 326 O LEU A 19 9.528 4.571 -17.028 1.00 -0.57 O ATOM 327 CB LEU A 19 10.224 1.840 -17.773 1.00 0.00 C ATOM 328 CG LEU A 19 9.405 1.529 -19.061 1.00 0.00 C ATOM 329 CD1 LEU A 19 10.098 2.114 -20.316 1.00 0.00 C ATOM 330 CD2 LEU A 19 9.207 0.000 -19.244 1.00 0.00 C ATOM 331 H LEU A 19 7.699 1.015 -17.042 1.00 0.37 H ATOM 332 HA LEU A 19 10.001 2.426 -15.707 1.00 0.00 H ATOM 333 HB2 LEU A 19 10.945 2.650 -17.969 1.00 0.00 H ATOM 334 HB3 LEU A 19 10.800 0.952 -17.473 1.00 0.00 H ATOM 335 HG LEU A 19 8.419 2.015 -19.016 1.00 0.00 H ATOM 336 HD11 LEU A 19 10.159 3.210 -20.241 1.00 0.00 H ATOM 337 HD12 LEU A 19 9.520 1.858 -21.217 1.00 0.00 H ATOM 338 HD13 LEU A 19 11.116 1.709 -20.414 1.00 0.00 H ATOM 339 HD21 LEU A 19 8.842 -0.488 -18.329 1.00 0.00 H ATOM 340 HD22 LEU A 19 10.164 -0.469 -19.516 1.00 0.00 H ATOM 341 HD23 LEU A 19 8.479 -0.187 -20.047 1.00 0.00 H ATOM 342 N LYS A 20 7.428 3.784 -17.067 1.00 -0.73 N ATOM 343 CA LYS A 20 6.899 5.093 -17.383 1.00 0.36 C ATOM 344 C LYS A 20 5.403 5.039 -17.258 1.00 0.57 C ATOM 345 O LYS A 20 4.835 3.971 -17.422 1.00 -0.57 O ATOM 346 CB LYS A 20 7.282 5.608 -18.790 1.00 0.00 C ATOM 347 CG LYS A 20 6.985 4.534 -19.868 1.00 0.00 C ATOM 348 CD LYS A 20 6.000 5.022 -20.955 1.00 0.00 C ATOM 349 CE LYS A 20 5.551 3.821 -21.825 1.00 0.50 C ATOM 350 NZ LYS A 20 5.117 4.262 -23.164 1.00 -0.85 N ATOM 351 H LYS A 20 6.752 3.061 -16.955 1.00 0.37 H ATOM 352 HA LYS A 20 7.279 5.766 -16.611 1.00 0.00 H ATOM 353 HB2 LYS A 20 6.709 6.523 -18.979 1.00 0.00 H ATOM 354 HB3 LYS A 20 8.348 5.881 -18.819 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.928 4.256 -20.361 1.00 0.00 H ATOM 356 HG3 LYS A 20 6.554 3.631 -19.416 1.00 0.00 H ATOM 357 HD2 LYS A 20 5.107 5.473 -20.496 1.00 0.00 H ATOM 358 HD3 LYS A 20 6.508 5.783 -21.568 1.00 0.00 H ATOM 359 HE2 LYS A 20 6.380 3.105 -21.954 1.00 0.00 H ATOM 360 HE3 LYS A 20 4.726 3.300 -21.312 1.00 0.00 H ATOM 361 HZ1 LYS A 20 5.964 4.618 -23.734 1.00 0.45 H ATOM 362 HZ2 LYS A 20 4.387 5.056 -23.092 1.00 0.45 H ATOM 363 HZ3 LYS A 20 4.678 3.438 -23.708 1.00 0.45 H ATOM 364 N CYS A 21 4.766 6.176 -16.942 1.00 -0.73 N ATOM 365 CA CYS A 21 3.344 6.137 -16.670 1.00 0.36 C ATOM 366 C CYS A 21 2.589 5.656 -17.884 1.00 0.57 C ATOM 367 O CYS A 21 2.867 6.141 -18.968 1.00 -0.57 O ATOM 368 CB CYS A 21 2.899 7.546 -16.226 1.00 0.05 C ATOM 369 SG CYS A 21 1.222 7.391 -15.610 1.00 -1.05 S ATOM 370 H CYS A 21 5.252 7.048 -16.843 1.00 0.37 H ATOM 371 HA CYS A 21 3.166 5.439 -15.838 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.499 7.923 -15.385 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.939 8.265 -17.055 1.00 0.00 H ATOM 374 N PHE A 22 1.631 4.712 -17.727 1.00 -0.73 N ATOM 375 CA PHE A 22 0.892 4.215 -18.887 1.00 0.36 C ATOM 376 C PHE A 22 -0.349 5.050 -19.144 1.00 0.57 C ATOM 377 O PHE A 22 -1.184 4.653 -19.939 1.00 -0.57 O ATOM 378 CB PHE A 22 0.504 2.726 -18.665 1.00 0.14 C ATOM 379 CG PHE A 22 0.748 1.834 -19.895 1.00 -0.14 C ATOM 380 CD1 PHE A 22 0.455 2.263 -21.195 1.00 -0.15 C ATOM 381 CD2 PHE A 22 1.275 0.551 -19.714 1.00 -0.15 C ATOM 382 CE1 PHE A 22 0.711 1.444 -22.295 1.00 -0.15 C ATOM 383 CE2 PHE A 22 1.498 -0.282 -20.812 1.00 -0.15 C ATOM 384 CZ PHE A 22 1.245 0.171 -22.106 1.00 -0.15 C ATOM 385 H PHE A 22 1.369 4.386 -16.817 1.00 0.37 H ATOM 386 HA PHE A 22 1.552 4.265 -19.766 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.121 2.326 -17.847 1.00 0.00 H ATOM 388 HB3 PHE A 22 -0.548 2.644 -18.356 1.00 0.00 H ATOM 389 HD1 PHE A 22 0.024 3.235 -21.383 1.00 0.15 H ATOM 390 HD2 PHE A 22 1.511 0.186 -18.720 1.00 0.15 H ATOM 391 HE1 PHE A 22 0.489 1.798 -23.296 1.00 0.15 H ATOM 392 HE2 PHE A 22 1.862 -1.289 -20.671 1.00 0.15 H ATOM 393 HZ PHE A 22 1.460 -0.464 -22.959 1.00 0.15 H ATOM 394 N ARG A 23 -0.502 6.209 -18.473 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.655 7.075 -18.677 1.00 0.36 C ATOM 396 C ARG A 23 -1.202 8.368 -19.299 1.00 0.57 C ATOM 397 O ARG A 23 -1.721 8.715 -20.347 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.364 7.300 -17.320 1.00 0.00 C ATOM 399 CG ARG A 23 -3.475 8.376 -17.437 1.00 0.00 C ATOM 400 CD ARG A 23 -4.778 8.033 -16.659 1.00 0.33 C ATOM 401 NE ARG A 23 -4.784 8.567 -15.302 1.00 -0.84 N ATOM 402 CZ ARG A 23 -5.851 8.651 -14.543 1.00 1.20 C ATOM 403 NH1 ARG A 23 -7.017 8.180 -14.909 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -5.756 9.227 -13.370 1.00 -0.97 N ATOM 405 H ARG A 23 0.169 6.509 -17.813 1.00 0.37 H ATOM 406 HA ARG A 23 -2.391 6.619 -19.358 1.00 0.00 H ATOM 407 HB2 ARG A 23 -2.782 6.317 -17.072 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.650 7.596 -16.536 1.00 0.00 H ATOM 409 HG2 ARG A 23 -3.071 9.356 -17.133 1.00 0.00 H ATOM 410 HG3 ARG A 23 -3.763 8.456 -18.494 1.00 0.00 H ATOM 411 HD2 ARG A 23 -5.582 8.532 -17.217 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.964 6.948 -16.664 1.00 0.00 H ATOM 413 HE ARG A 23 -3.897 8.940 -14.960 1.00 0.45 H ATOM 414 HH11 ARG A 23 -7.144 7.689 -15.801 1.00 0.45 H ATOM 415 HH12 ARG A 23 -7.842 8.275 -14.302 1.00 0.45 H ATOM 416 HH21 ARG A 23 -4.860 9.616 -13.032 1.00 0.45 H ATOM 417 HH22 ARG A 23 -6.575 9.315 -12.752 1.00 0.45 H ATOM 418 N CYS A 24 -0.247 9.090 -18.679 1.00 -0.73 N ATOM 419 CA CYS A 24 0.251 10.311 -19.294 1.00 0.36 C ATOM 420 C CYS A 24 1.578 10.083 -19.987 1.00 0.57 C ATOM 421 O CYS A 24 2.010 10.992 -20.677 1.00 -0.57 O ATOM 422 CB CYS A 24 0.327 11.395 -18.194 1.00 0.05 C ATOM 423 SG CYS A 24 1.731 11.063 -17.126 1.00 -1.05 S ATOM 424 H CYS A 24 0.152 8.813 -17.811 1.00 0.37 H ATOM 425 HA CYS A 24 -0.461 10.709 -20.031 1.00 0.00 H ATOM 426 HB2 CYS A 24 0.462 12.402 -18.615 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.582 11.372 -17.577 1.00 0.00 H ATOM 428 N GLY A 25 2.268 8.923 -19.840 1.00 -0.73 N ATOM 429 CA GLY A 25 3.564 8.744 -20.495 1.00 0.36 C ATOM 430 C GLY A 25 4.725 9.191 -19.636 1.00 0.57 C ATOM 431 O GLY A 25 5.797 8.621 -19.745 1.00 -0.57 O ATOM 432 H GLY A 25 1.948 8.161 -19.278 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.704 7.682 -20.743 1.00 0.00 H ATOM 434 HA3 GLY A 25 3.607 9.297 -21.445 1.00 0.00 H ATOM 435 N ALA A 26 4.552 10.232 -18.800 1.00 -0.73 N ATOM 436 CA ALA A 26 5.659 10.749 -18.006 1.00 0.36 C ATOM 437 C ALA A 26 6.233 9.688 -17.104 1.00 0.57 C ATOM 438 O ALA A 26 5.503 8.792 -16.714 1.00 -0.57 O ATOM 439 CB ALA A 26 5.237 11.950 -17.118 1.00 0.00 C ATOM 440 H ALA A 26 3.685 10.710 -18.772 1.00 0.37 H ATOM 441 HA ALA A 26 6.425 11.093 -18.719 1.00 0.00 H ATOM 442 HB1 ALA A 26 4.797 11.590 -16.174 1.00 0.00 H ATOM 443 HB2 ALA A 26 6.120 12.563 -16.885 1.00 0.00 H ATOM 444 HB3 ALA A 26 4.499 12.588 -17.629 1.00 0.00 H ATOM 445 N ASP A 27 7.536 9.772 -16.761 1.00 -0.73 N ATOM 446 CA ASP A 27 8.124 8.763 -15.894 1.00 0.36 C ATOM 447 C ASP A 27 8.086 9.190 -14.450 1.00 0.57 C ATOM 448 O ASP A 27 8.070 10.378 -14.170 1.00 -0.57 O ATOM 449 CB ASP A 27 9.565 8.415 -16.336 1.00 -0.11 C ATOM 450 CG ASP A 27 10.187 7.427 -15.389 1.00 0.91 C ATOM 451 OD1 ASP A 27 9.473 6.494 -14.929 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.384 7.617 -15.044 1.00 -0.90 O ATOM 453 H ASP A 27 8.113 10.527 -17.068 1.00 0.37 H ATOM 454 HA ASP A 27 7.536 7.848 -15.965 1.00 0.00 H ATOM 455 HB2 ASP A 27 9.549 7.990 -17.351 1.00 0.00 H ATOM 456 HB3 ASP A 27 10.171 9.334 -16.340 1.00 0.00 H ATOM 457 N LYS A 28 8.090 8.219 -13.515 1.00 -0.73 N ATOM 458 CA LYS A 28 8.143 8.562 -12.100 1.00 0.36 C ATOM 459 C LYS A 28 9.347 9.403 -11.752 1.00 0.57 C ATOM 460 O LYS A 28 9.295 10.090 -10.744 1.00 -0.57 O ATOM 461 CB LYS A 28 8.176 7.283 -11.230 1.00 0.00 C ATOM 462 CG LYS A 28 9.301 6.280 -11.629 1.00 0.00 C ATOM 463 CD LYS A 28 10.159 5.850 -10.417 1.00 0.00 C ATOM 464 CE LYS A 28 9.334 4.970 -9.442 1.00 0.50 C ATOM 465 NZ LYS A 28 9.837 5.042 -8.053 1.00 -0.85 N ATOM 466 H LYS A 28 8.097 7.252 -13.783 1.00 0.37 H ATOM 467 HA LYS A 28 7.237 9.136 -11.841 1.00 0.00 H ATOM 468 HB2 LYS A 28 8.261 7.603 -10.179 1.00 0.00 H ATOM 469 HB3 LYS A 28 7.209 6.778 -11.347 1.00 0.00 H ATOM 470 HG2 LYS A 28 8.861 5.387 -12.105 1.00 0.00 H ATOM 471 HG3 LYS A 28 9.998 6.736 -12.341 1.00 0.00 H ATOM 472 HD2 LYS A 28 11.036 5.281 -10.762 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.524 6.776 -9.945 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.288 5.304 -9.441 1.00 0.00 H ATOM 475 HE3 LYS A 28 9.348 3.927 -9.798 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.635 4.332 -7.893 1.00 0.45 H ATOM 477 HZ2 LYS A 28 9.038 4.835 -7.357 1.00 0.45 H ATOM 478 HZ3 LYS A 28 10.205 6.021 -7.784 1.00 0.45 H ATOM 479 N PHE A 29 10.426 9.364 -12.564 1.00 -0.73 N ATOM 480 CA PHE A 29 11.601 10.185 -12.314 1.00 0.36 C ATOM 481 C PHE A 29 11.608 11.372 -13.252 1.00 0.57 C ATOM 482 O PHE A 29 12.650 11.989 -13.403 1.00 -0.57 O ATOM 483 CB PHE A 29 12.874 9.299 -12.474 1.00 0.14 C ATOM 484 CG PHE A 29 13.698 9.225 -11.184 1.00 -0.14 C ATOM 485 CD1 PHE A 29 14.097 10.398 -10.536 1.00 -0.15 C ATOM 486 CD2 PHE A 29 14.065 7.986 -10.648 1.00 -0.15 C ATOM 487 CE1 PHE A 29 14.818 10.334 -9.342 1.00 -0.15 C ATOM 488 CE2 PHE A 29 14.817 7.921 -9.473 1.00 -0.15 C ATOM 489 CZ PHE A 29 15.188 9.095 -8.815 1.00 -0.15 C ATOM 490 H PHE A 29 10.447 8.819 -13.394 1.00 0.37 H ATOM 491 HA PHE A 29 11.568 10.593 -11.296 1.00 0.00 H ATOM 492 HB2 PHE A 29 12.581 8.275 -12.745 1.00 0.00 H ATOM 493 HB3 PHE A 29 13.527 9.668 -13.280 1.00 0.00 H ATOM 494 HD1 PHE A 29 13.852 11.368 -10.957 1.00 0.15 H ATOM 495 HD2 PHE A 29 13.775 7.061 -11.136 1.00 0.15 H ATOM 496 HE1 PHE A 29 15.090 11.247 -8.826 1.00 0.15 H ATOM 497 HE2 PHE A 29 15.113 6.957 -9.073 1.00 0.15 H ATOM 498 HZ PHE A 29 15.764 9.045 -7.898 1.00 0.15 H ATOM 499 N ASP A 30 10.466 11.726 -13.889 1.00 -0.73 N ATOM 500 CA ASP A 30 10.447 12.882 -14.777 1.00 0.36 C ATOM 501 C ASP A 30 9.043 13.446 -14.900 1.00 0.57 C ATOM 502 O ASP A 30 8.689 13.970 -15.944 1.00 -0.57 O ATOM 503 CB ASP A 30 10.987 12.425 -16.156 1.00 -0.11 C ATOM 504 CG ASP A 30 11.754 13.520 -16.848 1.00 0.91 C ATOM 505 OD1 ASP A 30 11.152 14.577 -17.175 1.00 -0.90 O ATOM 506 OD2 ASP A 30 12.980 13.330 -17.078 1.00 -0.90 O ATOM 507 H ASP A 30 9.626 11.191 -13.823 1.00 0.37 H ATOM 508 HA ASP A 30 11.093 13.676 -14.369 1.00 0.00 H ATOM 509 HB2 ASP A 30 11.674 11.577 -16.010 1.00 0.00 H ATOM 510 HB3 ASP A 30 10.163 12.075 -16.796 1.00 0.00 H HETATM 511 N NH2 A 31 8.180 13.367 -13.865 1.00 -0.80 N HETATM 512 HN1 NH2 A 31 8.427 12.972 -12.982 1.00 0.37 H HETATM 513 HN2 NH2 A 31 7.250 13.707 -14.002 1.00 0.37 H TER 514 NH2 A 31 HETATM 515 ZN ZN A 32 1.058 9.751 -15.264 1.00 2.00 ZN