HETATM 1 N PCA A 1 -6.596 5.255 -3.686 1.00 1.25 N HETATM 2 CA PCA A 1 -5.287 5.000 -3.115 1.00 0.60 C HETATM 3 CB PCA A 1 -5.441 5.241 -1.604 1.00 1.49 C HETATM 4 CG PCA A 1 -6.956 5.262 -1.376 1.00 2.04 C HETATM 5 CD PCA A 1 -7.535 5.435 -2.767 1.00 1.81 C HETATM 6 OE PCA A 1 -8.712 5.697 -2.990 1.00 2.69 O HETATM 7 C PCA A 1 -4.839 3.572 -3.424 1.00 0.56 C HETATM 8 O PCA A 1 -5.650 2.651 -3.452 1.00 0.68 O HETATM 9 H1 PCA A 1 -6.779 5.255 -4.678 1.00 1.93 H HETATM 10 HA PCA A 1 -4.566 5.706 -3.529 1.00 1.19 H HETATM 11 HB2 PCA A 1 -5.021 6.216 -1.352 1.00 1.78 H HETATM 12 HB3 PCA A 1 -4.960 4.460 -1.012 1.00 2.11 H HETATM 13 HG2 PCA A 1 -7.242 6.090 -0.726 1.00 2.40 H HETATM 14 HG3 PCA A 1 -7.291 4.311 -0.961 1.00 2.75 H ATOM 15 N HIS A 2 -3.539 3.393 -3.654 1.00 0.42 N ATOM 16 CA HIS A 2 -2.933 2.120 -4.006 1.00 0.44 C ATOM 17 C HIS A 2 -1.438 2.375 -3.963 1.00 0.33 C ATOM 18 O HIS A 2 -0.840 2.832 -4.932 1.00 0.34 O ATOM 19 CB HIS A 2 -3.393 1.659 -5.401 1.00 0.55 C ATOM 20 CG HIS A 2 -2.632 0.488 -5.982 1.00 0.64 C ATOM 21 ND1 HIS A 2 -2.581 0.162 -7.319 1.00 0.74 N ATOM 22 CD2 HIS A 2 -1.855 -0.420 -5.310 1.00 0.71 C ATOM 23 CE1 HIS A 2 -1.786 -0.915 -7.446 1.00 0.84 C ATOM 24 NE2 HIS A 2 -1.326 -1.308 -6.248 1.00 0.83 N ATOM 25 H HIS A 2 -2.893 4.161 -3.518 1.00 0.33 H ATOM 26 HA HIS A 2 -3.202 1.370 -3.261 1.00 0.50 H ATOM 27 HB2 HIS A 2 -4.444 1.379 -5.350 1.00 0.65 H ATOM 28 HB3 HIS A 2 -3.302 2.496 -6.094 1.00 0.52 H ATOM 29 HD1 HIS A 2 -3.045 0.651 -8.071 1.00 0.76 H ATOM 30 HD2 HIS A 2 -1.663 -0.447 -4.248 1.00 0.71 H ATOM 31 HE1 HIS A 2 -1.546 -1.399 -8.382 1.00 0.94 H ATOM 32 N TRP A 3 -0.842 2.146 -2.800 1.00 0.26 N ATOM 33 CA TRP A 3 0.564 2.384 -2.583 1.00 0.24 C ATOM 34 C TRP A 3 1.012 1.476 -1.454 1.00 0.24 C ATOM 35 O TRP A 3 0.197 0.791 -0.833 1.00 0.26 O ATOM 36 CB TRP A 3 0.789 3.887 -2.333 1.00 0.21 C ATOM 37 CG TRP A 3 1.489 4.318 -1.080 1.00 0.26 C ATOM 38 CD1 TRP A 3 0.882 4.627 0.086 1.00 0.28 C ATOM 39 CD2 TRP A 3 2.917 4.497 -0.845 1.00 0.39 C ATOM 40 NE1 TRP A 3 1.828 5.031 1.005 1.00 0.38 N ATOM 41 CE2 TRP A 3 3.104 4.968 0.486 1.00 0.44 C ATOM 42 CE3 TRP A 3 4.073 4.270 -1.617 1.00 0.51 C ATOM 43 CZ2 TRP A 3 4.375 5.223 1.019 1.00 0.57 C ATOM 44 CZ3 TRP A 3 5.357 4.516 -1.093 1.00 0.65 C ATOM 45 CH2 TRP A 3 5.508 4.992 0.222 1.00 0.67 C ATOM 46 H TRP A 3 -1.345 1.798 -1.999 1.00 0.28 H ATOM 47 HA TRP A 3 1.123 2.087 -3.468 1.00 0.34 H ATOM 48 HB2 TRP A 3 1.349 4.273 -3.181 1.00 0.29 H ATOM 49 HB3 TRP A 3 -0.170 4.401 -2.352 1.00 0.18 H ATOM 50 HD1 TRP A 3 -0.182 4.578 0.251 1.00 0.30 H ATOM 51 HE1 TRP A 3 1.613 5.317 1.947 1.00 0.44 H ATOM 52 HE3 TRP A 3 3.958 3.886 -2.617 1.00 0.53 H ATOM 53 HZ2 TRP A 3 4.484 5.558 2.040 1.00 0.62 H ATOM 54 HZ3 TRP A 3 6.233 4.333 -1.698 1.00 0.77 H ATOM 55 HH2 TRP A 3 6.496 5.166 0.626 1.00 0.78 H ATOM 56 N SER A 4 2.321 1.456 -1.240 1.00 0.28 N ATOM 57 CA SER A 4 2.972 0.798 -0.126 1.00 0.31 C ATOM 58 C SER A 4 2.630 1.547 1.149 1.00 0.21 C ATOM 59 O SER A 4 3.440 2.315 1.657 1.00 0.25 O ATOM 60 CB SER A 4 4.489 0.753 -0.350 1.00 0.45 C ATOM 61 OG SER A 4 5.128 0.080 0.711 1.00 1.62 O ATOM 62 H SER A 4 2.847 2.101 -1.795 1.00 0.31 H ATOM 63 HA SER A 4 2.565 -0.204 -0.049 1.00 0.37 H ATOM 64 HB2 SER A 4 4.711 0.234 -1.281 1.00 1.13 H ATOM 65 HB3 SER A 4 4.880 1.770 -0.416 1.00 1.08 H ATOM 66 HG SER A 4 4.981 0.597 1.514 1.00 2.16 H ATOM 67 N TYR A 5 1.417 1.315 1.636 1.00 0.20 N ATOM 68 CA TYR A 5 0.868 1.938 2.816 1.00 0.23 C ATOM 69 C TYR A 5 1.587 1.387 4.058 1.00 0.20 C ATOM 70 O TYR A 5 2.764 1.047 4.024 1.00 0.16 O ATOM 71 CB TYR A 5 -0.647 1.686 2.794 1.00 0.36 C ATOM 72 CG TYR A 5 -1.452 2.625 3.674 1.00 0.48 C ATOM 73 CD1 TYR A 5 -1.340 4.017 3.490 1.00 1.79 C ATOM 74 CD2 TYR A 5 -2.295 2.120 4.682 1.00 2.26 C ATOM 75 CE1 TYR A 5 -2.048 4.902 4.319 1.00 1.77 C ATOM 76 CE2 TYR A 5 -3.006 3.000 5.518 1.00 2.37 C ATOM 77 CZ TYR A 5 -2.881 4.399 5.340 1.00 0.78 C ATOM 78 OH TYR A 5 -3.559 5.270 6.139 1.00 0.92 O ATOM 79 H TYR A 5 0.835 0.671 1.120 1.00 0.26 H ATOM 80 HA TYR A 5 1.035 3.007 2.740 1.00 0.26 H ATOM 81 HB2 TYR A 5 -0.995 1.822 1.768 1.00 0.37 H ATOM 82 HB3 TYR A 5 -0.839 0.645 3.060 1.00 0.42 H ATOM 83 HD1 TYR A 5 -0.713 4.418 2.710 1.00 3.30 H ATOM 84 HD2 TYR A 5 -2.407 1.053 4.821 1.00 3.72 H ATOM 85 HE1 TYR A 5 -1.962 5.970 4.182 1.00 3.20 H ATOM 86 HE2 TYR A 5 -3.645 2.600 6.290 1.00 3.89 H ATOM 87 HH TYR A 5 -4.099 4.848 6.810 1.00 1.95 H ATOM 88 N GLY A 6 0.873 1.191 5.161 1.00 0.29 N ATOM 89 CA GLY A 6 1.433 0.527 6.335 1.00 0.26 C ATOM 90 C GLY A 6 1.577 -0.988 6.151 1.00 0.28 C ATOM 91 O GLY A 6 1.715 -1.710 7.133 1.00 0.53 O ATOM 92 H GLY A 6 -0.091 1.472 5.153 1.00 0.41 H ATOM 93 HA2 GLY A 6 2.417 0.946 6.553 1.00 0.23 H ATOM 94 HA3 GLY A 6 0.786 0.712 7.192 1.00 0.38 H ATOM 95 N LEU A 7 1.522 -1.487 4.912 1.00 0.23 N ATOM 96 CA LEU A 7 1.725 -2.873 4.545 1.00 0.31 C ATOM 97 C LEU A 7 2.124 -2.892 3.065 1.00 0.26 C ATOM 98 O LEU A 7 2.504 -1.864 2.505 1.00 0.33 O ATOM 99 CB LEU A 7 0.461 -3.706 4.848 1.00 0.53 C ATOM 100 CG LEU A 7 -0.768 -3.337 3.994 1.00 0.62 C ATOM 101 CD1 LEU A 7 -1.576 -4.599 3.671 1.00 0.83 C ATOM 102 CD2 LEU A 7 -1.694 -2.360 4.724 1.00 0.72 C ATOM 103 H LEU A 7 1.539 -0.871 4.114 1.00 0.32 H ATOM 104 HA LEU A 7 2.561 -3.272 5.120 1.00 0.42 H ATOM 105 HB2 LEU A 7 0.706 -4.756 4.695 1.00 0.62 H ATOM 106 HB3 LEU A 7 0.209 -3.605 5.905 1.00 0.64 H ATOM 107 HG LEU A 7 -0.446 -2.873 3.063 1.00 0.57 H ATOM 108 HD11 LEU A 7 -1.991 -5.021 4.586 1.00 1.58 H ATOM 109 HD12 LEU A 7 -2.387 -4.350 2.986 1.00 1.31 H ATOM 110 HD13 LEU A 7 -0.939 -5.347 3.204 1.00 1.71 H ATOM 111 HD21 LEU A 7 -2.503 -2.057 4.058 1.00 1.55 H ATOM 112 HD22 LEU A 7 -2.121 -2.839 5.607 1.00 2.01 H ATOM 113 HD23 LEU A 7 -1.141 -1.476 5.034 1.00 1.40 H ATOM 114 N ARG A 8 2.028 -4.058 2.430 1.00 0.34 N ATOM 115 CA ARG A 8 2.395 -4.266 1.034 1.00 0.40 C ATOM 116 C ARG A 8 1.754 -3.234 0.105 1.00 0.31 C ATOM 117 O ARG A 8 0.636 -2.781 0.362 1.00 0.27 O ATOM 118 CB ARG A 8 1.994 -5.690 0.609 1.00 0.54 C ATOM 119 CG ARG A 8 0.486 -5.941 0.802 1.00 0.81 C ATOM 120 CD ARG A 8 -0.230 -6.332 -0.494 1.00 1.35 C ATOM 121 NE ARG A 8 -1.682 -6.132 -0.366 1.00 1.11 N ATOM 122 CZ ARG A 8 -2.553 -6.907 0.286 1.00 1.58 C ATOM 123 NH1 ARG A 8 -2.152 -8.040 0.868 1.00 2.15 N ATOM 124 NH2 ARG A 8 -3.827 -6.525 0.351 1.00 2.05 N ATOM 125 H ARG A 8 1.683 -4.841 2.953 1.00 0.46 H ATOM 126 HA ARG A 8 3.474 -4.149 0.977 1.00 0.47 H ATOM 127 HB2 ARG A 8 2.261 -5.846 -0.436 1.00 0.80 H ATOM 128 HB3 ARG A 8 2.553 -6.412 1.207 1.00 0.70 H ATOM 129 HG2 ARG A 8 0.345 -6.729 1.544 1.00 1.00 H ATOM 130 HG3 ARG A 8 0.007 -5.041 1.181 1.00 1.07 H ATOM 131 HD2 ARG A 8 0.125 -5.692 -1.303 1.00 2.10 H ATOM 132 HD3 ARG A 8 -0.004 -7.369 -0.749 1.00 1.86 H ATOM 133 HE ARG A 8 -2.040 -5.277 -0.773 1.00 1.30 H ATOM 134 HH11 ARG A 8 -1.186 -8.320 0.799 1.00 2.04 H ATOM 135 HH12 ARG A 8 -2.785 -8.642 1.372 1.00 2.89 H ATOM 136 HH21 ARG A 8 -4.102 -5.643 -0.080 1.00 1.90 H ATOM 137 HH22 ARG A 8 -4.535 -7.070 0.819 1.00 2.76 H ATOM 138 N PRO A 9 2.402 -2.915 -1.024 1.00 0.38 N ATOM 139 CA PRO A 9 1.800 -2.079 -2.038 1.00 0.45 C ATOM 140 C PRO A 9 0.643 -2.832 -2.679 1.00 0.58 C ATOM 141 O PRO A 9 0.820 -3.639 -3.586 1.00 1.16 O ATOM 142 CB PRO A 9 2.913 -1.738 -3.027 1.00 0.54 C ATOM 143 CG PRO A 9 3.864 -2.928 -2.898 1.00 0.59 C ATOM 144 CD PRO A 9 3.727 -3.345 -1.431 1.00 0.50 C ATOM 145 HA PRO A 9 1.422 -1.176 -1.572 1.00 0.42 H ATOM 146 HB2 PRO A 9 2.541 -1.615 -4.045 1.00 0.77 H ATOM 147 HB3 PRO A 9 3.419 -0.829 -2.703 1.00 0.46 H ATOM 148 HG2 PRO A 9 3.521 -3.737 -3.542 1.00 0.80 H ATOM 149 HG3 PRO A 9 4.889 -2.650 -3.145 1.00 0.68 H ATOM 150 HD2 PRO A 9 3.844 -4.424 -1.338 1.00 0.49 H ATOM 151 HD3 PRO A 9 4.473 -2.827 -0.828 1.00 0.61 H ATOM 152 N GLY A 10 -0.552 -2.579 -2.159 1.00 0.70 N ATOM 153 CA GLY A 10 -1.779 -3.202 -2.604 1.00 0.80 C ATOM 154 C GLY A 10 -2.846 -2.885 -1.573 1.00 0.94 C ATOM 155 O GLY A 10 -3.468 -3.797 -1.022 1.00 1.14 O ATOM 156 H GLY A 10 -0.570 -2.021 -1.313 1.00 1.08 H ATOM 157 HA2 GLY A 10 -2.067 -2.805 -3.578 1.00 0.84 H ATOM 158 HA3 GLY A 10 -1.643 -4.281 -2.684 1.00 0.88 H HETATM 159 N NH2 A 11 -2.995 -1.592 -1.271 1.00 0.97 N HETATM 160 HN1 NH2 A 11 -2.368 -0.900 -1.671 1.00 0.93 H HETATM 161 HN2 NH2 A 11 -3.707 -1.317 -0.610 1.00 1.13 H TER 162 NH2 A 11