HETATM 1 N PCA A 1 -6.461 4.905 -4.094 1.00 1.56 N HETATM 2 CA PCA A 1 -5.425 4.529 -3.149 1.00 0.90 C HETATM 3 CB PCA A 1 -6.110 4.522 -1.770 1.00 1.89 C HETATM 4 CG PCA A 1 -7.609 4.560 -2.087 1.00 2.58 C HETATM 5 CD PCA A 1 -7.667 4.970 -3.545 1.00 2.27 C HETATM 6 OE PCA A 1 -8.697 5.306 -4.120 1.00 3.18 O HETATM 7 C PCA A 1 -4.851 3.161 -3.512 1.00 0.82 C HETATM 8 O PCA A 1 -5.588 2.185 -3.611 1.00 1.01 O HETATM 9 H1 PCA A 1 -6.284 5.093 -5.070 1.00 2.13 H HETATM 10 HA PCA A 1 -4.633 5.279 -3.159 1.00 1.22 H HETATM 11 HB2 PCA A 1 -5.830 5.423 -1.225 1.00 2.15 H HETATM 12 HB3 PCA A 1 -5.850 3.636 -1.189 1.00 2.47 H HETATM 13 HG2 PCA A 1 -8.124 5.286 -1.454 1.00 3.01 H HETATM 14 HG3 PCA A 1 -8.048 3.568 -1.972 1.00 3.30 H ATOM 15 N HIS A 2 -3.534 3.094 -3.706 1.00 0.61 N ATOM 16 CA HIS A 2 -2.815 1.889 -4.083 1.00 0.63 C ATOM 17 C HIS A 2 -1.346 2.273 -4.017 1.00 0.43 C ATOM 18 O HIS A 2 -0.760 2.730 -4.991 1.00 0.41 O ATOM 19 CB HIS A 2 -3.222 1.412 -5.491 1.00 0.77 C ATOM 20 CG HIS A 2 -2.368 0.316 -6.091 1.00 0.89 C ATOM 21 ND1 HIS A 2 -2.346 -0.024 -7.426 1.00 0.96 N ATOM 22 CD2 HIS A 2 -1.468 -0.495 -5.448 1.00 1.02 C ATOM 23 CE1 HIS A 2 -1.447 -1.013 -7.580 1.00 1.12 C ATOM 24 NE2 HIS A 2 -0.891 -1.335 -6.402 1.00 1.18 N ATOM 25 H HIS A 2 -2.952 3.902 -3.517 1.00 0.48 H ATOM 26 HA HIS A 2 -3.022 1.101 -3.359 1.00 0.74 H ATOM 27 HB2 HIS A 2 -4.248 1.044 -5.454 1.00 0.93 H ATOM 28 HB3 HIS A 2 -3.199 2.266 -6.168 1.00 0.68 H ATOM 29 HD1 HIS A 2 -2.894 0.401 -8.160 1.00 0.94 H ATOM 30 HD2 HIS A 2 -1.223 -0.487 -4.398 1.00 1.05 H ATOM 31 HE1 HIS A 2 -1.200 -1.482 -8.522 1.00 1.22 H ATOM 32 N TRP A 3 -0.766 2.144 -2.830 1.00 0.32 N ATOM 33 CA TRP A 3 0.620 2.467 -2.592 1.00 0.29 C ATOM 34 C TRP A 3 1.096 1.588 -1.453 1.00 0.31 C ATOM 35 O TRP A 3 0.303 0.855 -0.852 1.00 0.32 O ATOM 36 CB TRP A 3 0.756 3.976 -2.321 1.00 0.24 C ATOM 37 CG TRP A 3 1.375 4.422 -1.033 1.00 0.34 C ATOM 38 CD1 TRP A 3 0.716 4.642 0.125 1.00 0.38 C ATOM 39 CD2 TRP A 3 2.779 4.677 -0.741 1.00 0.55 C ATOM 40 NE1 TRP A 3 1.604 5.072 1.090 1.00 0.55 N ATOM 41 CE2 TRP A 3 2.897 5.103 0.611 1.00 0.63 C ATOM 42 CE3 TRP A 3 3.968 4.534 -1.480 1.00 0.73 C ATOM 43 CZ2 TRP A 3 4.137 5.400 1.198 1.00 0.82 C ATOM 44 CZ3 TRP A 3 5.220 4.815 -0.903 1.00 0.93 C ATOM 45 CH2 TRP A 3 5.305 5.249 0.433 1.00 0.95 C ATOM 46 H TRP A 3 -1.258 1.794 -2.024 1.00 0.34 H ATOM 47 HA TRP A 3 1.210 2.209 -3.471 1.00 0.44 H ATOM 48 HB2 TRP A 3 1.329 4.402 -3.140 1.00 0.37 H ATOM 49 HB3 TRP A 3 -0.226 4.433 -2.373 1.00 0.17 H ATOM 50 HD1 TRP A 3 -0.346 4.504 0.252 1.00 0.41 H ATOM 51 HE1 TRP A 3 1.345 5.299 2.037 1.00 0.65 H ATOM 52 HE3 TRP A 3 3.897 4.172 -2.494 1.00 0.74 H ATOM 53 HZ2 TRP A 3 4.197 5.695 2.234 1.00 0.89 H ATOM 54 HZ3 TRP A 3 6.122 4.680 -1.482 1.00 1.08 H ATOM 55 HH2 TRP A 3 6.270 5.445 0.878 1.00 1.10 H ATOM 56 N SER A 4 2.395 1.652 -1.197 1.00 0.41 N ATOM 57 CA SER A 4 3.080 0.983 -0.113 1.00 0.44 C ATOM 58 C SER A 4 2.666 1.624 1.203 1.00 0.26 C ATOM 59 O SER A 4 3.368 2.461 1.759 1.00 0.34 O ATOM 60 CB SER A 4 4.594 1.087 -0.349 1.00 0.69 C ATOM 61 OG SER A 4 4.878 1.059 -1.738 1.00 2.39 O ATOM 62 H SER A 4 2.945 2.299 -1.738 1.00 0.46 H ATOM 63 HA SER A 4 2.753 -0.052 -0.101 1.00 0.53 H ATOM 64 HB2 SER A 4 4.969 2.030 0.048 1.00 2.15 H ATOM 65 HB3 SER A 4 5.101 0.264 0.157 1.00 1.14 H ATOM 66 HG SER A 4 5.028 0.150 -2.008 1.00 2.95 H ATOM 67 N TYR A 5 1.473 1.256 1.655 1.00 0.25 N ATOM 68 CA TYR A 5 0.842 1.811 2.829 1.00 0.32 C ATOM 69 C TYR A 5 1.560 1.280 4.080 1.00 0.28 C ATOM 70 O TYR A 5 2.757 1.019 4.076 1.00 0.20 O ATOM 71 CB TYR A 5 -0.653 1.465 2.755 1.00 0.53 C ATOM 72 CG TYR A 5 -1.542 2.334 3.629 1.00 0.72 C ATOM 73 CD1 TYR A 5 -1.512 3.734 3.480 1.00 1.36 C ATOM 74 CD2 TYR A 5 -2.380 1.754 4.602 1.00 2.06 C ATOM 75 CE1 TYR A 5 -2.294 4.558 4.307 1.00 1.40 C ATOM 76 CE2 TYR A 5 -3.163 2.573 5.434 1.00 2.23 C ATOM 77 CZ TYR A 5 -3.121 3.978 5.295 1.00 1.15 C ATOM 78 OH TYR A 5 -3.883 4.758 6.111 1.00 1.38 O ATOM 79 H TYR A 5 0.953 0.601 1.092 1.00 0.35 H ATOM 80 HA TYR A 5 0.941 2.891 2.784 1.00 0.37 H ATOM 81 HB2 TYR A 5 -0.977 1.600 1.721 1.00 0.53 H ATOM 82 HB3 TYR A 5 -0.785 0.408 2.993 1.00 0.60 H ATOM 83 HD1 TYR A 5 -0.888 4.187 2.725 1.00 2.47 H ATOM 84 HD2 TYR A 5 -2.432 0.681 4.718 1.00 3.16 H ATOM 85 HE1 TYR A 5 -2.253 5.630 4.181 1.00 2.42 H ATOM 86 HE2 TYR A 5 -3.804 2.136 6.186 1.00 3.40 H ATOM 87 HH TYR A 5 -3.785 5.701 5.955 1.00 1.31 H ATOM 88 N GLY A 6 0.827 1.018 5.156 1.00 0.43 N ATOM 89 CA GLY A 6 1.399 0.384 6.340 1.00 0.37 C ATOM 90 C GLY A 6 1.704 -1.104 6.131 1.00 0.41 C ATOM 91 O GLY A 6 1.995 -1.805 7.096 1.00 0.74 O ATOM 92 H GLY A 6 -0.156 1.225 5.116 1.00 0.61 H ATOM 93 HA2 GLY A 6 2.325 0.893 6.610 1.00 0.32 H ATOM 94 HA3 GLY A 6 0.701 0.482 7.171 1.00 0.57 H ATOM 95 N LEU A 7 1.613 -1.611 4.897 1.00 0.33 N ATOM 96 CA LEU A 7 1.912 -2.975 4.518 1.00 0.46 C ATOM 97 C LEU A 7 2.215 -2.981 3.018 1.00 0.31 C ATOM 98 O LEU A 7 2.530 -1.943 2.437 1.00 0.34 O ATOM 99 CB LEU A 7 0.756 -3.910 4.927 1.00 0.80 C ATOM 100 CG LEU A 7 -0.563 -3.669 4.167 1.00 0.94 C ATOM 101 CD1 LEU A 7 -1.275 -5.008 3.947 1.00 1.26 C ATOM 102 CD2 LEU A 7 -1.511 -2.749 4.941 1.00 1.08 C ATOM 103 H LEU A 7 1.489 -1.001 4.104 1.00 0.40 H ATOM 104 HA LEU A 7 2.816 -3.304 5.024 1.00 0.63 H ATOM 105 HB2 LEU A 7 1.084 -4.936 4.773 1.00 0.95 H ATOM 106 HB3 LEU A 7 0.575 -3.810 5.998 1.00 0.97 H ATOM 107 HG LEU A 7 -0.356 -3.209 3.202 1.00 0.84 H ATOM 108 HD11 LEU A 7 -0.608 -5.721 3.469 1.00 2.09 H ATOM 109 HD12 LEU A 7 -1.591 -5.422 4.906 1.00 2.41 H ATOM 110 HD13 LEU A 7 -2.149 -4.861 3.313 1.00 1.39 H ATOM 111 HD21 LEU A 7 -1.040 -1.784 5.113 1.00 1.43 H ATOM 112 HD22 LEU A 7 -2.424 -2.599 4.365 1.00 1.58 H ATOM 113 HD23 LEU A 7 -1.767 -3.198 5.901 1.00 2.00 H ATOM 114 N ARG A 8 2.119 -4.155 2.397 1.00 0.40 N ATOM 115 CA ARG A 8 2.383 -4.375 0.981 1.00 0.41 C ATOM 116 C ARG A 8 1.699 -3.325 0.101 1.00 0.30 C ATOM 117 O ARG A 8 0.588 -2.892 0.413 1.00 0.27 O ATOM 118 CB ARG A 8 1.910 -5.790 0.609 1.00 0.52 C ATOM 119 CG ARG A 8 0.387 -5.948 0.789 1.00 0.82 C ATOM 120 CD ARG A 8 -0.351 -6.007 -0.555 1.00 1.52 C ATOM 121 NE ARG A 8 -1.769 -5.626 -0.415 1.00 1.38 N ATOM 122 CZ ARG A 8 -2.830 -6.229 -0.975 1.00 1.83 C ATOM 123 NH1 ARG A 8 -2.690 -7.346 -1.690 1.00 2.60 N ATOM 124 NH2 ARG A 8 -4.045 -5.702 -0.830 1.00 2.07 N ATOM 125 H ARG A 8 1.848 -4.949 2.950 1.00 0.59 H ATOM 126 HA ARG A 8 3.460 -4.301 0.853 1.00 0.53 H ATOM 127 HB2 ARG A 8 2.184 -6.013 -0.424 1.00 0.77 H ATOM 128 HB3 ARG A 8 2.421 -6.509 1.252 1.00 0.68 H ATOM 129 HG2 ARG A 8 0.186 -6.865 1.343 1.00 1.11 H ATOM 130 HG3 ARG A 8 0.000 -5.119 1.380 1.00 1.06 H ATOM 131 HD2 ARG A 8 0.115 -5.312 -1.255 1.00 2.27 H ATOM 132 HD3 ARG A 8 -0.247 -7.015 -0.951 1.00 2.03 H ATOM 133 HE ARG A 8 -1.925 -4.774 0.108 1.00 1.57 H ATOM 134 HH11 ARG A 8 -1.777 -7.749 -1.830 1.00 2.82 H ATOM 135 HH12 ARG A 8 -3.477 -7.800 -2.126 1.00 3.21 H ATOM 136 HH21 ARG A 8 -4.154 -4.786 -0.401 1.00 2.11 H ATOM 137 HH22 ARG A 8 -4.870 -6.115 -1.232 1.00 2.53 H ATOM 138 N PRO A 9 2.305 -2.956 -1.036 1.00 0.40 N ATOM 139 CA PRO A 9 1.689 -2.024 -1.952 1.00 0.52 C ATOM 140 C PRO A 9 0.428 -2.645 -2.535 1.00 0.77 C ATOM 141 O PRO A 9 0.481 -3.513 -3.400 1.00 1.24 O ATOM 142 CB PRO A 9 2.745 -1.686 -3.002 1.00 0.64 C ATOM 143 CG PRO A 9 3.682 -2.892 -2.975 1.00 0.73 C ATOM 144 CD PRO A 9 3.586 -3.416 -1.539 1.00 0.56 C ATOM 145 HA PRO A 9 1.421 -1.125 -1.410 1.00 0.48 H ATOM 146 HB2 PRO A 9 2.312 -1.527 -3.991 1.00 0.91 H ATOM 147 HB3 PRO A 9 3.289 -0.798 -2.685 1.00 0.52 H ATOM 148 HG2 PRO A 9 3.314 -3.649 -3.666 1.00 0.99 H ATOM 149 HG3 PRO A 9 4.702 -2.598 -3.227 1.00 0.81 H ATOM 150 HD2 PRO A 9 3.645 -4.504 -1.535 1.00 0.59 H ATOM 151 HD3 PRO A 9 4.387 -2.990 -0.934 1.00 0.62 H ATOM 152 N GLY A 10 -0.714 -2.212 -2.011 1.00 1.02 N ATOM 153 CA GLY A 10 -2.021 -2.702 -2.394 1.00 1.25 C ATOM 154 C GLY A 10 -3.035 -2.156 -1.402 1.00 1.46 C ATOM 155 O GLY A 10 -3.754 -2.917 -0.760 1.00 1.75 O ATOM 156 H GLY A 10 -0.643 -1.611 -1.198 1.00 1.33 H ATOM 157 HA2 GLY A 10 -2.265 -2.369 -3.402 1.00 1.21 H ATOM 158 HA3 GLY A 10 -2.028 -3.792 -2.371 1.00 1.40 H HETATM 159 N NH2 A 11 -3.054 -0.837 -1.232 1.00 1.45 N HETATM 160 HN1 NH2 A 11 -2.392 -0.258 -1.727 1.00 1.31 H HETATM 161 HN2 NH2 A 11 -3.714 -0.432 -0.585 1.00 1.67 H TER 162 NH2 A 11