USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot -126:sc= 1.02! USER MOD Set 1.2: A 61 SER OG : rot 65:sc= 1.06 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 178:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot 127:sc= 1.05 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0526 K(o=-0.053,f=-0.63) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0487) USER MOD Single : A 26 GLN : amide:sc= 0.669 K(o=0.67,f=-7.1!) USER MOD Single : A 35 GLN : amide:sc= -4.19! C(o=-4.2!,f=-9.2!) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0612) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.09! C(o=-4.1!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 2.975 -8.979 -3.621 1.00 0.00 N ATOM 24 CA CYS A 4 2.703 -9.861 -4.744 1.00 0.00 C ATOM 25 C CYS A 4 1.318 -9.519 -5.298 1.00 0.00 C ATOM 26 O CYS A 4 0.313 -9.675 -4.607 1.00 0.00 O ATOM 27 CB CYS A 4 2.810 -11.335 -4.345 1.00 0.00 C ATOM 28 SG CYS A 4 4.459 -11.849 -3.743 1.00 0.00 S ATOM 0 HA CYS A 4 3.453 -9.708 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.075 -11.541 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.545 -11.950 -5.205 1.00 0.00 H new ATOM 29 N ASP A 5 1.310 -9.059 -6.540 1.00 0.00 N ATOM 30 CA ASP A 5 0.064 -8.723 -7.206 1.00 0.00 C ATOM 31 C ASP A 5 0.273 -8.767 -8.721 1.00 0.00 C ATOM 32 O ASP A 5 -0.278 -7.944 -9.452 1.00 0.00 O ATOM 33 CB ASP A 5 -0.397 -7.312 -6.833 1.00 0.00 C ATOM 34 CG ASP A 5 -0.633 -7.083 -5.340 1.00 0.00 C ATOM 35 OD1 ASP A 5 -1.733 -7.325 -4.823 1.00 0.00 O ATOM 36 OD2 ASP A 5 0.385 -6.629 -4.690 1.00 0.00 O ATOM 0 H ASP A 5 2.148 -8.911 -7.103 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.691 -9.444 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.350 -6.598 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.321 -7.094 -7.369 1.00 0.00 H new ATOM 37 N CYS A 6 1.069 -9.736 -9.150 1.00 0.00 N ATOM 38 CA CYS A 6 1.369 -9.888 -10.563 1.00 0.00 C ATOM 39 C CYS A 6 0.795 -11.226 -11.034 1.00 0.00 C ATOM 40 O CYS A 6 -0.300 -11.274 -11.592 1.00 0.00 O ATOM 41 CB CYS A 6 2.870 -9.784 -10.836 1.00 0.00 C ATOM 42 SG CYS A 6 3.941 -10.180 -9.405 1.00 0.00 S ATOM 0 H CYS A 6 1.515 -10.424 -8.543 1.00 0.00 H new ATOM 0 HA CYS A 6 0.907 -9.077 -11.125 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.123 -10.455 -11.657 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.095 -8.771 -11.171 1.00 0.00 H new ATOM 43 N GLY A 7 1.560 -12.280 -10.793 1.00 0.00 N ATOM 44 CA GLY A 7 1.166 -13.608 -11.230 1.00 0.00 C ATOM 45 C GLY A 7 2.370 -14.551 -11.279 1.00 0.00 C ATOM 46 O GLY A 7 2.269 -15.714 -10.891 1.00 0.00 O ATOM 0 H GLY A 7 2.452 -12.241 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.413 -14.009 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.706 -13.548 -12.217 1.00 0.00 H new ATOM 47 N SER A 8 3.481 -14.013 -11.759 1.00 0.00 N ATOM 48 CA SER A 8 4.716 -14.778 -11.822 1.00 0.00 C ATOM 49 C SER A 8 5.916 -13.855 -11.600 1.00 0.00 C ATOM 50 O SER A 8 5.896 -12.697 -12.013 1.00 0.00 O ATOM 51 CB SER A 8 4.846 -15.505 -13.162 1.00 0.00 C ATOM 52 OG SER A 8 3.825 -16.482 -13.340 1.00 0.00 O ATOM 0 H SER A 8 3.553 -13.057 -12.108 1.00 0.00 H new ATOM 0 HA SER A 8 4.693 -15.529 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.799 -14.780 -13.974 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.822 -15.986 -13.220 1.00 0.00 H new ATOM 0 HG SER A 8 3.942 -16.923 -14.208 1.00 0.00 H new ATOM 53 N PRO A 9 6.958 -14.417 -10.932 1.00 0.00 N ATOM 54 CA PRO A 9 8.179 -13.669 -10.685 1.00 0.00 C ATOM 55 C PRO A 9 9.016 -13.550 -11.960 1.00 0.00 C ATOM 56 O PRO A 9 9.548 -12.483 -12.261 1.00 0.00 O ATOM 57 CB PRO A 9 8.889 -14.430 -9.577 1.00 0.00 C ATOM 58 CG PRO A 9 8.275 -15.820 -9.567 1.00 0.00 C ATOM 59 CD PRO A 9 7.001 -15.774 -10.394 1.00 0.00 C ATOM 0 HA PRO A 9 7.988 -12.639 -10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.962 -14.478 -9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.753 -13.936 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.972 -16.548 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.056 -16.133 -8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.020 -16.516 -11.192 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.124 -15.986 -9.782 1.00 0.00 H new ATOM 60 N SER A 10 9.107 -14.662 -12.675 1.00 0.00 N ATOM 61 CA SER A 10 9.973 -14.733 -13.840 1.00 0.00 C ATOM 62 C SER A 10 9.555 -13.681 -14.869 1.00 0.00 C ATOM 63 O SER A 10 10.384 -13.197 -15.638 1.00 0.00 O ATOM 64 CB SER A 10 9.941 -16.129 -14.466 1.00 0.00 C ATOM 65 OG SER A 10 8.611 -16.560 -14.740 1.00 0.00 O ATOM 0 H SER A 10 8.596 -15.521 -12.470 1.00 0.00 H new ATOM 0 HA SER A 10 10.995 -14.531 -13.518 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.519 -16.125 -15.390 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.421 -16.839 -13.793 1.00 0.00 H new ATOM 0 HG SER A 10 8.633 -17.454 -15.140 1.00 0.00 H new ATOM 66 N ASN A 11 8.271 -13.357 -14.849 1.00 0.00 N ATOM 67 CA ASN A 11 7.727 -12.393 -15.791 1.00 0.00 C ATOM 68 C ASN A 11 8.483 -11.070 -15.652 1.00 0.00 C ATOM 69 O ASN A 11 8.857 -10.678 -14.548 1.00 0.00 O ATOM 70 CB ASN A 11 6.248 -12.125 -15.511 1.00 0.00 C ATOM 71 CG ASN A 11 5.359 -13.136 -16.240 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.631 -14.324 -16.279 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.287 -12.598 -16.814 1.00 0.00 N ATOM 0 H ASN A 11 7.591 -13.745 -14.195 1.00 0.00 H new ATOM 0 HA ASN A 11 7.835 -12.803 -16.795 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.062 -12.179 -14.438 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.991 -11.114 -15.829 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.632 -13.189 -17.326 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.120 -11.594 -16.742 1.00 0.00 H new ATOM 74 N PRO A 12 8.689 -10.401 -16.818 1.00 0.00 N ATOM 75 CA PRO A 12 9.384 -9.125 -16.836 1.00 0.00 C ATOM 76 C PRO A 12 8.484 -8.003 -16.312 1.00 0.00 C ATOM 77 O PRO A 12 8.947 -6.886 -16.087 1.00 0.00 O ATOM 78 CB PRO A 12 9.801 -8.925 -18.284 1.00 0.00 C ATOM 79 CG PRO A 12 8.927 -9.860 -19.103 1.00 0.00 C ATOM 80 CD PRO A 12 8.268 -10.840 -18.146 1.00 0.00 C ATOM 0 HA PRO A 12 10.254 -9.110 -16.179 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.659 -7.889 -18.591 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.857 -9.157 -18.422 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.172 -9.295 -19.651 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.526 -10.392 -19.842 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.183 -10.820 -18.244 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.587 -11.863 -18.345 1.00 0.00 H new ATOM 81 N CYS A 13 7.216 -8.341 -16.133 1.00 0.00 N ATOM 82 CA CYS A 13 6.247 -7.375 -15.642 1.00 0.00 C ATOM 83 C CYS A 13 6.458 -7.206 -14.136 1.00 0.00 C ATOM 84 O CYS A 13 6.254 -6.119 -13.596 1.00 0.00 O ATOM 85 CB CYS A 13 4.813 -7.794 -15.975 1.00 0.00 C ATOM 86 SG CYS A 13 4.513 -8.169 -17.740 1.00 0.00 S ATOM 0 H CYS A 13 6.837 -9.269 -16.319 1.00 0.00 H new ATOM 0 HA CYS A 13 6.400 -6.417 -16.138 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.560 -8.674 -15.383 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.136 -6.997 -15.667 1.00 0.00 H new ATOM 87 N CYS A 14 6.864 -8.296 -13.502 1.00 0.00 N ATOM 88 CA CYS A 14 7.010 -8.308 -12.056 1.00 0.00 C ATOM 89 C CYS A 14 8.503 -8.356 -11.724 1.00 0.00 C ATOM 90 O CYS A 14 9.320 -8.712 -12.573 1.00 0.00 O ATOM 91 CB CYS A 14 6.247 -9.473 -11.421 1.00 0.00 C ATOM 92 SG CYS A 14 5.667 -9.168 -9.712 1.00 0.00 S ATOM 0 H CYS A 14 7.096 -9.176 -13.962 1.00 0.00 H new ATOM 0 HA CYS A 14 6.574 -7.401 -11.636 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.385 -9.709 -12.046 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.890 -10.353 -11.420 1.00 0.00 H new ATOM 93 N ASP A 15 8.815 -7.992 -10.489 1.00 0.00 N ATOM 94 CA ASP A 15 10.175 -8.117 -9.993 1.00 0.00 C ATOM 95 C ASP A 15 10.276 -9.356 -9.103 1.00 0.00 C ATOM 96 O ASP A 15 9.460 -9.549 -8.203 1.00 0.00 O ATOM 97 CB ASP A 15 10.568 -6.899 -9.154 1.00 0.00 C ATOM 98 CG ASP A 15 10.719 -5.594 -9.939 1.00 0.00 C ATOM 99 OD1 ASP A 15 9.613 -4.980 -10.194 1.00 0.00 O ATOM 100 OD2 ASP A 15 11.836 -5.185 -10.289 1.00 0.00 O ATOM 0 H ASP A 15 8.149 -7.610 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 15 10.842 -8.195 -10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.817 -6.754 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.510 -7.113 -8.649 1.00 0.00 H new ATOM 101 N ALA A 16 11.287 -10.166 -9.384 1.00 0.00 N ATOM 102 CA ALA A 16 11.454 -11.427 -8.682 1.00 0.00 C ATOM 103 C ALA A 16 11.911 -11.150 -7.249 1.00 0.00 C ATOM 104 O ALA A 16 11.772 -12.003 -6.374 1.00 0.00 O ATOM 105 CB ALA A 16 12.440 -12.311 -9.448 1.00 0.00 C ATOM 0 H ALA A 16 11.999 -9.973 -10.089 1.00 0.00 H new ATOM 0 HA ALA A 16 10.508 -11.965 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.565 -13.257 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.055 -12.502 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.403 -11.805 -9.519 1.00 0.00 H new ATOM 106 N ALA A 17 12.447 -9.955 -7.053 1.00 0.00 N ATOM 107 CA ALA A 17 13.004 -9.587 -5.762 1.00 0.00 C ATOM 108 C ALA A 17 11.866 -9.214 -4.809 1.00 0.00 C ATOM 109 O ALA A 17 11.685 -9.854 -3.773 1.00 0.00 O ATOM 110 CB ALA A 17 14.008 -8.447 -5.945 1.00 0.00 C ATOM 0 H ALA A 17 12.508 -9.229 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 17 13.541 -10.427 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.426 -8.171 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.811 -8.772 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.504 -7.585 -6.382 1.00 0.00 H new ATOM 111 N THR A 18 11.130 -8.182 -5.192 1.00 0.00 N ATOM 112 CA THR A 18 10.127 -7.609 -4.310 1.00 0.00 C ATOM 113 C THR A 18 8.762 -8.253 -4.565 1.00 0.00 C ATOM 114 O THR A 18 7.840 -8.098 -3.766 1.00 0.00 O ATOM 115 CB THR A 18 10.130 -6.093 -4.513 1.00 0.00 C ATOM 116 OG1 THR A 18 11.512 -5.747 -4.520 1.00 0.00 O ATOM 117 CG2 THR A 18 9.565 -5.340 -3.306 1.00 0.00 C ATOM 0 H THR A 18 11.208 -7.727 -6.102 1.00 0.00 H new ATOM 0 HA THR A 18 10.357 -7.812 -3.264 1.00 0.00 H new ATOM 0 HB THR A 18 9.549 -5.844 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.606 -4.780 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.590 -4.268 -3.502 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.536 -5.653 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.167 -5.562 -2.425 1.00 0.00 H new ATOM 118 N CYS A 19 8.677 -8.961 -5.682 1.00 0.00 N ATOM 119 CA CYS A 19 7.439 -9.623 -6.055 1.00 0.00 C ATOM 120 C CYS A 19 6.413 -8.550 -6.425 1.00 0.00 C ATOM 121 O CYS A 19 5.214 -8.822 -6.477 1.00 0.00 O ATOM 122 CB CYS A 19 6.929 -10.540 -4.942 1.00 0.00 C ATOM 123 SG CYS A 19 5.617 -11.710 -5.451 1.00 0.00 S ATOM 0 H CYS A 19 9.445 -9.090 -6.340 1.00 0.00 H new ATOM 0 HA CYS A 19 7.615 -10.269 -6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.770 -11.109 -4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.550 -9.923 -4.127 1.00 0.00 H new ATOM 124 N LYS A 20 6.921 -7.351 -6.672 1.00 0.00 N ATOM 125 CA LYS A 20 6.059 -6.223 -6.983 1.00 0.00 C ATOM 126 C LYS A 20 6.226 -5.851 -8.459 1.00 0.00 C ATOM 127 O LYS A 20 7.276 -6.097 -9.049 1.00 0.00 O ATOM 128 CB LYS A 20 6.328 -5.062 -6.023 1.00 0.00 C ATOM 129 CG LYS A 20 5.700 -5.328 -4.654 1.00 0.00 C ATOM 130 CD LYS A 20 6.034 -4.204 -3.671 1.00 0.00 C ATOM 131 CE LYS A 20 4.831 -3.280 -3.466 1.00 0.00 C ATOM 132 NZ LYS A 20 4.541 -2.524 -4.704 1.00 0.00 N ATOM 0 H LYS A 20 7.918 -7.136 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 20 5.013 -6.492 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.403 -4.918 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.924 -4.139 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.619 -5.417 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.062 -6.279 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.337 -4.630 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.880 -3.628 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.959 -3.867 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.032 -2.587 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.777 -1.841 -4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.395 -2.015 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.246 -3.183 -5.452 1.00 0.00 H new ATOM 133 N LEU A 21 5.173 -5.266 -9.011 1.00 0.00 N ATOM 134 CA LEU A 21 5.162 -4.927 -10.423 1.00 0.00 C ATOM 135 C LEU A 21 6.225 -3.861 -10.696 1.00 0.00 C ATOM 136 O LEU A 21 6.678 -3.182 -9.776 1.00 0.00 O ATOM 137 CB LEU A 21 3.754 -4.518 -10.864 1.00 0.00 C ATOM 138 CG LEU A 21 2.703 -5.629 -10.866 1.00 0.00 C ATOM 139 CD1 LEU A 21 1.341 -5.096 -10.418 1.00 0.00 C ATOM 140 CD2 LEU A 21 2.629 -6.314 -12.232 1.00 0.00 C ATOM 0 H LEU A 21 4.322 -5.018 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 21 5.421 -5.797 -11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.408 -3.718 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.816 -4.102 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 21 3.007 -6.386 -10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.612 -5.906 -10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.422 -4.694 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.017 -4.308 -11.098 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.874 -7.100 -12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.362 -5.581 -12.993 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.598 -6.751 -12.473 1.00 0.00 H new ATOM 141 N ARG A 22 6.591 -3.748 -11.964 1.00 0.00 N ATOM 142 CA ARG A 22 7.385 -2.617 -12.415 1.00 0.00 C ATOM 143 C ARG A 22 6.484 -1.412 -12.691 1.00 0.00 C ATOM 144 O ARG A 22 5.290 -1.569 -12.939 1.00 0.00 O ATOM 145 CB ARG A 22 8.165 -2.963 -13.686 1.00 0.00 C ATOM 146 CG ARG A 22 9.288 -3.958 -13.385 1.00 0.00 C ATOM 147 CD ARG A 22 10.090 -4.277 -14.649 1.00 0.00 C ATOM 148 NE ARG A 22 10.750 -5.595 -14.510 1.00 0.00 N ATOM 149 CZ ARG A 22 11.654 -5.886 -13.565 1.00 0.00 C ATOM 150 NH1 ARG A 22 12.298 -4.899 -12.928 1.00 0.00 N ATOM 151 NH2 ARG A 22 11.913 -7.164 -13.258 1.00 0.00 N ATOM 0 H ARG A 22 6.353 -4.420 -12.693 1.00 0.00 H new ATOM 0 HA ARG A 22 8.093 -2.372 -11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.488 -3.386 -14.429 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.585 -2.055 -14.118 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.950 -3.545 -12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.866 -4.876 -12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.431 -4.281 -15.517 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.838 -3.503 -14.820 1.00 0.00 H new ATOM 0 HE ARG A 22 10.501 -6.327 -15.175 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.100 -3.926 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.986 -5.120 -12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.422 -7.915 -13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.601 -7.386 -12.539 1.00 0.00 H new ATOM 152 N PRO A 23 7.107 -0.204 -12.637 1.00 0.00 N ATOM 153 CA PRO A 23 6.365 1.029 -12.838 1.00 0.00 C ATOM 154 C PRO A 23 6.026 1.231 -14.317 1.00 0.00 C ATOM 155 O PRO A 23 6.921 1.373 -15.148 1.00 0.00 O ATOM 156 CB PRO A 23 7.262 2.123 -12.281 1.00 0.00 C ATOM 157 CG PRO A 23 8.657 1.523 -12.214 1.00 0.00 C ATOM 158 CD PRO A 23 8.527 0.019 -12.385 1.00 0.00 C ATOM 0 HA PRO A 23 5.400 1.026 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.246 3.005 -12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.925 2.440 -11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.291 1.942 -12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.129 1.759 -11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.137 -0.339 -13.214 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.859 -0.511 -11.492 1.00 0.00 H new ATOM 159 N GLY A 24 4.731 1.237 -14.598 1.00 0.00 N ATOM 160 CA GLY A 24 4.265 1.206 -15.974 1.00 0.00 C ATOM 161 C GLY A 24 3.370 -0.011 -16.221 1.00 0.00 C ATOM 162 O GLY A 24 2.563 -0.013 -17.150 1.00 0.00 O ATOM 0 H GLY A 24 3.991 1.263 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.713 2.119 -16.196 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.119 1.178 -16.651 1.00 0.00 H new ATOM 163 N ALA A 25 3.543 -1.015 -15.376 1.00 0.00 N ATOM 164 CA ALA A 25 2.793 -2.252 -15.517 1.00 0.00 C ATOM 165 C ALA A 25 1.693 -2.301 -14.455 1.00 0.00 C ATOM 166 O ALA A 25 1.944 -2.020 -13.283 1.00 0.00 O ATOM 167 CB ALA A 25 3.748 -3.443 -15.424 1.00 0.00 C ATOM 0 H ALA A 25 4.192 -0.998 -14.590 1.00 0.00 H new ATOM 0 HA ALA A 25 2.310 -2.298 -16.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.185 -4.370 -15.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.491 -3.377 -16.219 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.250 -3.432 -14.457 1.00 0.00 H new ATOM 168 N GLN A 26 0.498 -2.660 -14.902 1.00 0.00 N ATOM 169 CA GLN A 26 -0.658 -2.669 -14.021 1.00 0.00 C ATOM 170 C GLN A 26 -0.845 -4.058 -13.405 1.00 0.00 C ATOM 171 O GLN A 26 -1.230 -4.178 -12.243 1.00 0.00 O ATOM 172 CB GLN A 26 -1.917 -2.226 -14.767 1.00 0.00 C ATOM 173 CG GLN A 26 -2.797 -1.342 -13.880 1.00 0.00 C ATOM 174 CD GLN A 26 -2.204 0.063 -13.748 1.00 0.00 C ATOM 175 OE1 GLN A 26 -2.006 0.776 -14.717 1.00 0.00 O ATOM 176 NE2 GLN A 26 -1.934 0.420 -12.495 1.00 0.00 N ATOM 0 H GLN A 26 0.305 -2.947 -15.862 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.483 -1.956 -13.215 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.637 -1.680 -15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.481 -3.102 -15.088 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.800 -1.279 -14.303 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.895 -1.794 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.124 -0.226 -11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.537 1.339 -12.301 1.00 0.00 H new ATOM 177 N CYS A 27 -0.563 -5.071 -14.212 1.00 0.00 N ATOM 178 CA CYS A 27 -0.680 -6.445 -13.756 1.00 0.00 C ATOM 179 C CYS A 27 0.022 -7.349 -14.771 1.00 0.00 C ATOM 180 O CYS A 27 0.237 -6.954 -15.916 1.00 0.00 O ATOM 181 CB CYS A 27 -2.141 -6.850 -13.547 1.00 0.00 C ATOM 182 SG CYS A 27 -3.344 -5.949 -14.591 1.00 0.00 S ATOM 0 H CYS A 27 -0.254 -4.967 -15.178 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.200 -6.550 -12.783 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.239 -7.918 -13.743 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.401 -6.693 -12.500 1.00 0.00 H new ATOM 183 N ALA A 28 0.362 -8.546 -14.314 1.00 0.00 N ATOM 184 CA ALA A 28 1.190 -9.441 -15.104 1.00 0.00 C ATOM 185 C ALA A 28 0.293 -10.427 -15.855 1.00 0.00 C ATOM 186 O ALA A 28 0.455 -10.629 -17.057 1.00 0.00 O ATOM 187 CB ALA A 28 2.195 -10.145 -14.192 1.00 0.00 C ATOM 0 H ALA A 28 0.079 -8.916 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 28 1.760 -8.882 -15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.816 -10.816 -14.785 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.826 -9.402 -13.705 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.660 -10.719 -13.435 1.00 0.00 H new ATOM 188 N ASP A 29 -0.634 -11.018 -15.114 1.00 0.00 N ATOM 189 CA ASP A 29 -1.553 -11.981 -15.693 1.00 0.00 C ATOM 190 C ASP A 29 -2.753 -12.160 -14.760 1.00 0.00 C ATOM 191 O ASP A 29 -2.595 -12.201 -13.541 1.00 0.00 O ATOM 192 CB ASP A 29 -0.884 -13.346 -15.869 1.00 0.00 C ATOM 193 CG ASP A 29 -1.612 -14.307 -16.809 1.00 0.00 C ATOM 194 OD1 ASP A 29 -2.851 -14.334 -16.861 1.00 0.00 O ATOM 195 OD2 ASP A 29 -0.844 -15.062 -17.519 1.00 0.00 O ATOM 0 H ASP A 29 -0.767 -10.847 -14.117 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.865 -11.604 -16.667 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.128 -13.192 -16.244 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.793 -13.818 -14.891 1.00 0.00 H new ATOM 196 N GLY A 30 -3.926 -12.261 -15.368 1.00 0.00 N ATOM 197 CA GLY A 30 -5.157 -12.384 -14.606 1.00 0.00 C ATOM 198 C GLY A 30 -6.244 -13.077 -15.428 1.00 0.00 C ATOM 199 O GLY A 30 -7.428 -12.976 -15.109 1.00 0.00 O ATOM 0 H GLY A 30 -4.050 -12.260 -16.380 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.969 -12.951 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.501 -11.395 -14.302 1.00 0.00 H new ATOM 200 N LEU A 31 -5.804 -13.767 -16.471 1.00 0.00 N ATOM 201 CA LEU A 31 -6.727 -14.304 -17.455 1.00 0.00 C ATOM 202 C LEU A 31 -7.596 -13.172 -18.006 1.00 0.00 C ATOM 203 O LEU A 31 -8.594 -13.422 -18.682 1.00 0.00 O ATOM 204 CB LEU A 31 -7.531 -15.462 -16.861 1.00 0.00 C ATOM 205 CG LEU A 31 -6.849 -16.832 -16.879 1.00 0.00 C ATOM 206 CD1 LEU A 31 -7.407 -17.736 -15.778 1.00 0.00 C ATOM 207 CD2 LEU A 31 -6.955 -17.478 -18.261 1.00 0.00 C ATOM 0 H LEU A 31 -4.821 -13.966 -16.655 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.180 -14.726 -18.298 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.778 -15.215 -15.828 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.473 -15.540 -17.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.789 -16.690 -16.671 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.906 -18.703 -15.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.236 -17.273 -14.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.477 -17.876 -15.930 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.463 -18.450 -18.247 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.005 -17.607 -18.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.473 -16.838 -19.000 1.00 0.00 H new ATOM 208 N CYS A 32 -7.187 -11.951 -17.697 1.00 0.00 N ATOM 209 CA CYS A 32 -7.986 -10.785 -18.034 1.00 0.00 C ATOM 210 C CYS A 32 -7.041 -9.600 -18.248 1.00 0.00 C ATOM 211 O CYS A 32 -7.267 -8.774 -19.132 1.00 0.00 O ATOM 212 CB CYS A 32 -9.037 -10.490 -16.961 1.00 0.00 C ATOM 213 SG CYS A 32 -10.486 -11.608 -16.980 1.00 0.00 S ATOM 0 H CYS A 32 -6.312 -11.743 -17.216 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.542 -10.975 -18.952 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.563 -10.549 -15.981 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.385 -9.465 -17.085 1.00 0.00 H new ATOM 214 N CYS A 33 -6.004 -9.554 -17.425 1.00 0.00 N ATOM 215 CA CYS A 33 -4.920 -8.611 -17.639 1.00 0.00 C ATOM 216 C CYS A 33 -3.988 -9.185 -18.708 1.00 0.00 C ATOM 217 O CYS A 33 -3.902 -10.401 -18.873 1.00 0.00 O ATOM 218 CB CYS A 33 -4.175 -8.301 -16.339 1.00 0.00 C ATOM 219 SG CYS A 33 -3.093 -6.828 -16.408 1.00 0.00 S ATOM 0 H CYS A 33 -5.892 -10.155 -16.608 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.325 -7.660 -17.984 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.906 -8.161 -15.542 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.570 -9.166 -16.068 1.00 0.00 H new ATOM 220 N ASP A 34 -3.315 -8.283 -19.406 1.00 0.00 N ATOM 221 CA ASP A 34 -2.339 -8.686 -20.405 1.00 0.00 C ATOM 222 C ASP A 34 -0.986 -8.911 -19.728 1.00 0.00 C ATOM 223 O ASP A 34 -0.879 -8.834 -18.505 1.00 0.00 O ATOM 224 CB ASP A 34 -2.160 -7.601 -21.469 1.00 0.00 C ATOM 225 CG ASP A 34 -2.023 -8.118 -22.902 1.00 0.00 C ATOM 226 OD1 ASP A 34 -1.226 -9.123 -23.046 1.00 0.00 O ATOM 227 OD2 ASP A 34 -2.646 -7.589 -23.835 1.00 0.00 O ATOM 0 H ASP A 34 -3.426 -7.275 -19.300 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.698 -9.600 -20.878 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.013 -6.924 -21.423 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.274 -7.015 -21.224 1.00 0.00 H new ATOM 228 N GLN A 35 0.014 -9.186 -20.552 1.00 0.00 N ATOM 229 CA GLN A 35 1.352 -9.446 -20.047 1.00 0.00 C ATOM 230 C GLN A 35 2.049 -8.131 -19.692 1.00 0.00 C ATOM 231 O GLN A 35 3.178 -7.889 -20.115 1.00 0.00 O ATOM 232 CB GLN A 35 2.174 -10.246 -21.059 1.00 0.00 C ATOM 233 CG GLN A 35 1.969 -9.712 -22.477 1.00 0.00 C ATOM 234 CD GLN A 35 2.011 -8.183 -22.499 1.00 0.00 C ATOM 235 OE1 GLN A 35 1.012 -7.507 -22.320 1.00 0.00 O ATOM 236 NE2 GLN A 35 3.221 -7.678 -22.727 1.00 0.00 N ATOM 0 H GLN A 35 -0.075 -9.235 -21.567 1.00 0.00 H new ATOM 0 HA GLN A 35 1.268 -10.047 -19.141 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.231 -10.194 -20.796 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.886 -11.296 -21.017 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.742 -10.110 -23.134 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.011 -10.059 -22.865 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.016 -8.302 -22.869 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.354 -6.667 -22.760 1.00 0.00 H new ATOM 237 N CYS A 36 1.347 -7.316 -18.917 1.00 0.00 N ATOM 238 CA CYS A 36 1.990 -6.235 -18.191 1.00 0.00 C ATOM 239 C CYS A 36 0.928 -5.189 -17.845 1.00 0.00 C ATOM 240 O CYS A 36 1.009 -4.537 -16.806 1.00 0.00 O ATOM 241 CB CYS A 36 3.149 -5.630 -18.986 1.00 0.00 C ATOM 242 SG CYS A 36 4.798 -6.311 -18.577 1.00 0.00 S ATOM 0 H CYS A 36 0.339 -7.383 -18.777 1.00 0.00 H new ATOM 0 HA CYS A 36 2.429 -6.623 -17.272 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.961 -5.783 -20.049 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.164 -4.553 -18.817 1.00 0.00 H new ATOM 243 N ARG A 37 -0.044 -5.062 -18.737 1.00 0.00 N ATOM 244 CA ARG A 37 -1.109 -4.092 -18.551 1.00 0.00 C ATOM 245 C ARG A 37 -2.460 -4.710 -18.917 1.00 0.00 C ATOM 246 O ARG A 37 -2.515 -5.812 -19.462 1.00 0.00 O ATOM 247 CB ARG A 37 -0.876 -2.846 -19.407 1.00 0.00 C ATOM 248 CG ARG A 37 0.272 -2.003 -18.848 1.00 0.00 C ATOM 249 CD ARG A 37 0.255 -0.591 -19.438 1.00 0.00 C ATOM 250 NE ARG A 37 -0.985 0.110 -19.034 1.00 0.00 N ATOM 251 CZ ARG A 37 -1.212 0.586 -17.802 1.00 0.00 C ATOM 252 NH1 ARG A 37 -0.246 0.531 -16.875 1.00 0.00 N ATOM 253 NH2 ARG A 37 -2.403 1.118 -17.498 1.00 0.00 N ATOM 0 H ARG A 37 -0.116 -5.615 -19.591 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.112 -3.801 -17.501 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.649 -3.141 -20.431 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.787 -2.249 -19.442 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.192 -1.948 -17.762 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.224 -2.484 -19.074 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.126 -0.034 -19.094 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.317 -0.641 -20.525 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.712 0.239 -19.738 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.661 0.127 -17.107 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.418 0.893 -15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.138 1.161 -18.204 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.575 1.480 -16.560 1.00 0.00 H new ATOM 254 N PHE A 38 -3.516 -3.973 -18.606 1.00 0.00 N ATOM 255 CA PHE A 38 -4.863 -4.497 -18.752 1.00 0.00 C ATOM 256 C PHE A 38 -5.176 -4.805 -20.217 1.00 0.00 C ATOM 257 O PHE A 38 -4.507 -4.301 -21.118 1.00 0.00 O ATOM 258 CB PHE A 38 -5.821 -3.411 -18.256 1.00 0.00 C ATOM 259 CG PHE A 38 -6.120 -3.483 -16.757 1.00 0.00 C ATOM 260 CD1 PHE A 38 -6.423 -4.677 -16.181 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.085 -2.353 -16.002 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.701 -4.744 -14.789 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.363 -2.420 -14.611 1.00 0.00 C ATOM 264 CZ PHE A 38 -6.664 -3.613 -14.034 1.00 0.00 C ATOM 0 H PHE A 38 -3.466 -3.017 -18.253 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.966 -5.422 -18.184 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.396 -2.434 -18.485 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.758 -3.488 -18.807 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.452 -5.574 -16.781 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.846 -1.405 -16.460 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.941 -5.692 -14.331 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.335 -1.522 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.874 -3.663 -12.976 1.00 0.00 H new ATOM 265 N LYS A 39 -6.193 -5.632 -20.410 1.00 0.00 N ATOM 266 CA LYS A 39 -6.639 -5.969 -21.751 1.00 0.00 C ATOM 267 C LYS A 39 -7.863 -5.122 -22.105 1.00 0.00 C ATOM 268 O LYS A 39 -8.231 -4.215 -21.360 1.00 0.00 O ATOM 269 CB LYS A 39 -6.878 -7.476 -21.874 1.00 0.00 C ATOM 270 CG LYS A 39 -5.669 -8.265 -21.369 1.00 0.00 C ATOM 271 CD LYS A 39 -5.863 -9.767 -21.589 1.00 0.00 C ATOM 272 CE LYS A 39 -5.517 -10.158 -23.027 1.00 0.00 C ATOM 273 NZ LYS A 39 -6.283 -11.357 -23.436 1.00 0.00 N ATOM 0 H LYS A 39 -6.721 -6.079 -19.660 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.865 -5.732 -22.480 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.763 -7.755 -21.303 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.076 -7.733 -22.915 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.770 -7.931 -21.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.518 -8.066 -20.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.234 -10.324 -20.895 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.896 -10.040 -21.372 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.740 -9.330 -23.699 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.448 -10.356 -23.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.062 -11.589 -24.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.025 -12.159 -22.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.301 -11.166 -23.344 1.00 0.00 H new ATOM 274 N LYS A 40 -8.460 -5.448 -23.242 1.00 0.00 N ATOM 275 CA LYS A 40 -9.755 -4.890 -23.594 1.00 0.00 C ATOM 276 C LYS A 40 -10.818 -5.988 -23.511 1.00 0.00 C ATOM 277 O LYS A 40 -10.491 -7.163 -23.355 1.00 0.00 O ATOM 278 CB LYS A 40 -9.689 -4.199 -24.957 1.00 0.00 C ATOM 279 CG LYS A 40 -8.767 -2.980 -24.909 1.00 0.00 C ATOM 280 CD LYS A 40 -9.514 -1.746 -24.399 1.00 0.00 C ATOM 281 CE LYS A 40 -8.553 -0.579 -24.168 1.00 0.00 C ATOM 282 NZ LYS A 40 -7.973 -0.122 -25.450 1.00 0.00 N ATOM 0 H LYS A 40 -8.071 -6.091 -23.931 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.041 -4.114 -22.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.329 -4.902 -25.708 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.689 -3.891 -25.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.916 -3.188 -24.260 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.368 -2.782 -25.904 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.278 -1.455 -25.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.029 -1.987 -23.469 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.081 0.245 -23.687 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.756 -0.885 -23.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.417 0.743 -25.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.355 -0.864 -25.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.738 0.078 -26.126 1.00 0.00 H new ATOM 283 N LYS A 41 -12.069 -5.565 -23.621 1.00 0.00 N ATOM 284 CA LYS A 41 -13.178 -6.504 -23.626 1.00 0.00 C ATOM 285 C LYS A 41 -12.956 -7.543 -24.728 1.00 0.00 C ATOM 286 O LYS A 41 -12.005 -7.439 -25.501 1.00 0.00 O ATOM 287 CB LYS A 41 -14.510 -5.759 -23.742 1.00 0.00 C ATOM 288 CG LYS A 41 -15.546 -6.336 -22.775 1.00 0.00 C ATOM 289 CD LYS A 41 -16.786 -5.442 -22.704 1.00 0.00 C ATOM 290 CE LYS A 41 -16.539 -4.231 -21.803 1.00 0.00 C ATOM 291 NZ LYS A 41 -17.798 -3.484 -21.583 1.00 0.00 N ATOM 0 H LYS A 41 -12.339 -4.585 -23.707 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.223 -7.046 -22.681 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.359 -4.701 -23.530 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.882 -5.829 -24.764 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.833 -7.337 -23.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.107 -6.435 -21.782 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.054 -5.106 -23.706 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.631 -6.016 -22.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.132 -4.559 -20.847 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.796 -3.577 -22.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.613 -2.665 -20.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.171 -3.155 -22.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.496 -4.107 -21.128 1.00 0.00 H new ATOM 292 N ARG A 42 -13.850 -8.521 -24.764 1.00 0.00 N ATOM 293 CA ARG A 42 -13.806 -9.536 -25.802 1.00 0.00 C ATOM 294 C ARG A 42 -12.662 -10.517 -25.537 1.00 0.00 C ATOM 295 O ARG A 42 -12.228 -11.228 -26.441 1.00 0.00 O ATOM 296 CB ARG A 42 -13.618 -8.905 -27.183 1.00 0.00 C ATOM 297 CG ARG A 42 -14.654 -7.807 -27.431 1.00 0.00 C ATOM 298 CD ARG A 42 -14.010 -6.580 -28.079 1.00 0.00 C ATOM 299 NE ARG A 42 -15.055 -5.619 -28.494 1.00 0.00 N ATOM 300 CZ ARG A 42 -15.645 -5.624 -29.698 1.00 0.00 C ATOM 301 NH1 ARG A 42 -15.454 -6.654 -30.534 1.00 0.00 N ATOM 302 NH2 ARG A 42 -16.426 -4.599 -30.066 1.00 0.00 N ATOM 0 H ARG A 42 -14.608 -8.631 -24.091 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.757 -10.068 -25.785 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.614 -8.487 -27.262 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.705 -9.672 -27.952 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.446 -8.189 -28.075 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.120 -7.522 -26.488 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.326 -6.105 -27.376 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.419 -6.883 -28.943 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.345 -4.908 -27.822 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.860 -7.434 -30.254 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.903 -6.658 -31.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.572 -3.815 -29.430 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.875 -4.603 -30.982 1.00 0.00 H new ATOM 303 N THR A 43 -12.206 -10.522 -24.293 1.00 0.00 N ATOM 304 CA THR A 43 -11.163 -11.446 -23.882 1.00 0.00 C ATOM 305 C THR A 43 -11.759 -12.597 -23.070 1.00 0.00 C ATOM 306 O THR A 43 -12.583 -12.374 -22.183 1.00 0.00 O ATOM 307 CB THR A 43 -10.101 -10.651 -23.120 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.905 -10.867 -23.864 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.796 -11.250 -21.745 1.00 0.00 C ATOM 0 H THR A 43 -12.540 -9.901 -23.556 1.00 0.00 H new ATOM 0 HA THR A 43 -10.685 -11.912 -24.744 1.00 0.00 H new ATOM 0 HB THR A 43 -10.435 -9.620 -23.002 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.500 -10.004 -24.090 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.036 -10.648 -21.246 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.704 -11.260 -21.143 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.430 -12.270 -21.865 1.00 0.00 H new ATOM 310 N ILE A 44 -11.321 -13.803 -23.402 1.00 0.00 N ATOM 311 CA ILE A 44 -11.864 -14.995 -22.773 1.00 0.00 C ATOM 312 C ILE A 44 -11.049 -15.323 -21.521 1.00 0.00 C ATOM 313 O ILE A 44 -9.858 -15.619 -21.610 1.00 0.00 O ATOM 314 CB ILE A 44 -11.934 -16.146 -23.780 1.00 0.00 C ATOM 315 CG1 ILE A 44 -12.665 -15.716 -25.054 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.566 -17.388 -23.148 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.081 -15.232 -24.738 1.00 0.00 C ATOM 0 H ILE A 44 -10.597 -13.980 -24.098 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.890 -14.821 -22.449 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.917 -16.412 -24.067 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.107 -14.920 -25.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.710 -16.553 -25.751 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.604 -18.191 -23.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.968 -17.706 -22.294 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.577 -17.153 -22.815 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.578 -14.933 -25.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.644 -16.038 -24.268 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.031 -14.380 -24.060 1.00 0.00 H new ATOM 318 N CYS A 45 -11.723 -15.259 -20.382 1.00 0.00 N ATOM 319 CA CYS A 45 -11.082 -15.565 -19.114 1.00 0.00 C ATOM 320 C CYS A 45 -11.424 -17.009 -18.741 1.00 0.00 C ATOM 321 O CYS A 45 -10.746 -17.617 -17.914 1.00 0.00 O ATOM 322 CB CYS A 45 -11.491 -14.579 -18.019 1.00 0.00 C ATOM 323 SG CYS A 45 -12.958 -15.079 -17.045 1.00 0.00 S ATOM 0 H CYS A 45 -12.707 -15.000 -20.311 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.002 -15.463 -19.215 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.650 -14.443 -17.339 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.690 -13.610 -18.478 1.00 0.00 H new ATOM 324 N ARG A 46 -12.477 -17.515 -19.366 1.00 0.00 N ATOM 325 CA ARG A 46 -12.886 -18.892 -19.148 1.00 0.00 C ATOM 326 C ARG A 46 -13.679 -19.406 -20.352 1.00 0.00 C ATOM 327 O ARG A 46 -14.682 -18.810 -20.740 1.00 0.00 O ATOM 328 CB ARG A 46 -13.745 -19.019 -17.889 1.00 0.00 C ATOM 329 CG ARG A 46 -13.625 -20.418 -17.282 1.00 0.00 C ATOM 330 CD ARG A 46 -12.569 -20.448 -16.176 1.00 0.00 C ATOM 331 NE ARG A 46 -11.239 -20.118 -16.736 1.00 0.00 N ATOM 332 CZ ARG A 46 -10.401 -21.022 -17.261 1.00 0.00 C ATOM 333 NH1 ARG A 46 -10.816 -22.277 -17.476 1.00 0.00 N ATOM 334 NH2 ARG A 46 -9.146 -20.670 -17.572 1.00 0.00 N ATOM 0 H ARG A 46 -13.059 -16.996 -20.023 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.984 -19.490 -19.020 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.436 -18.273 -17.157 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.787 -18.813 -18.133 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.589 -20.726 -16.877 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.362 -21.134 -18.060 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.830 -19.736 -15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.543 -21.435 -15.713 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.942 -19.142 -16.721 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.771 -22.546 -17.240 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.177 -22.964 -17.876 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.829 -19.714 -17.409 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.508 -21.358 -17.972 1.00 0.00 H new ATOM 335 N ILE A 47 -13.199 -20.509 -20.909 1.00 0.00 N ATOM 336 CA ILE A 47 -13.867 -21.126 -22.042 1.00 0.00 C ATOM 337 C ILE A 47 -15.062 -21.940 -21.543 1.00 0.00 C ATOM 338 O ILE A 47 -15.106 -22.334 -20.379 1.00 0.00 O ATOM 339 CB ILE A 47 -12.872 -21.939 -22.872 1.00 0.00 C ATOM 340 CG1 ILE A 47 -11.535 -21.205 -23.001 1.00 0.00 C ATOM 341 CG2 ILE A 47 -13.461 -22.298 -24.238 1.00 0.00 C ATOM 342 CD1 ILE A 47 -10.404 -22.008 -22.355 1.00 0.00 C ATOM 0 H ILE A 47 -12.356 -20.991 -20.597 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.260 -20.363 -22.715 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.677 -22.875 -22.348 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.310 -21.035 -24.054 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.607 -20.226 -22.528 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.733 -22.876 -24.808 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.366 -22.890 -24.100 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.704 -21.385 -24.781 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.465 -21.464 -22.461 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.621 -22.156 -21.297 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.319 -22.977 -22.847 1.00 0.00 H new ATOM 343 N ALA A 48 -16.002 -22.169 -22.449 1.00 0.00 N ATOM 344 CA ALA A 48 -17.183 -22.948 -22.122 1.00 0.00 C ATOM 345 C ALA A 48 -16.813 -24.432 -22.072 1.00 0.00 C ATOM 346 O ALA A 48 -15.886 -24.868 -22.754 1.00 0.00 O ATOM 347 CB ALA A 48 -18.286 -22.656 -23.142 1.00 0.00 C ATOM 0 H ALA A 48 -15.969 -21.828 -23.410 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.565 -22.671 -21.140 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.173 -23.241 -22.897 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.533 -21.595 -23.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.939 -22.924 -24.140 1.00 0.00 H new ATOM 348 N ARG A 49 -17.556 -25.168 -21.259 1.00 0.00 N ATOM 349 CA ARG A 49 -17.385 -26.609 -21.186 1.00 0.00 C ATOM 350 C ARG A 49 -18.066 -27.286 -22.376 1.00 0.00 C ATOM 351 O ARG A 49 -17.666 -28.373 -22.791 1.00 0.00 O ATOM 352 CB ARG A 49 -17.968 -27.168 -19.887 1.00 0.00 C ATOM 353 CG ARG A 49 -16.997 -28.149 -19.226 1.00 0.00 C ATOM 354 CD ARG A 49 -16.869 -29.432 -20.050 1.00 0.00 C ATOM 355 NE ARG A 49 -16.175 -30.474 -19.259 1.00 0.00 N ATOM 356 CZ ARG A 49 -14.846 -30.634 -19.231 1.00 0.00 C ATOM 357 NH1 ARG A 49 -14.048 -29.717 -19.794 1.00 0.00 N ATOM 358 NH2 ARG A 49 -14.313 -31.712 -18.640 1.00 0.00 N ATOM 0 H ARG A 49 -18.279 -24.793 -20.644 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.315 -26.817 -21.210 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.187 -26.350 -19.201 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.913 -27.671 -20.095 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.018 -27.682 -19.120 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.346 -28.391 -18.222 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.857 -29.785 -20.345 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.316 -29.231 -20.967 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.745 -31.109 -18.701 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.453 -28.896 -20.244 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.036 -29.840 -19.772 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.920 -32.411 -18.211 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.301 -31.834 -18.619 1.00 0.00 H new ATOM 359 N GLY A 50 -19.085 -26.614 -22.894 1.00 0.00 N ATOM 360 CA GLY A 50 -19.787 -27.106 -24.068 1.00 0.00 C ATOM 361 C GLY A 50 -21.257 -26.683 -24.045 1.00 0.00 C ATOM 362 O GLY A 50 -21.897 -26.705 -22.995 1.00 0.00 O ATOM 0 H GLY A 50 -19.441 -25.733 -22.522 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.309 -26.723 -24.969 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -19.718 -28.193 -24.108 1.00 0.00 H new ATOM 363 N ASP A 51 -21.750 -26.308 -25.217 1.00 0.00 N ATOM 364 CA ASP A 51 -23.147 -25.938 -25.357 1.00 0.00 C ATOM 365 C ASP A 51 -23.427 -24.688 -24.521 1.00 0.00 C ATOM 366 O ASP A 51 -24.576 -24.399 -24.192 1.00 0.00 O ATOM 367 CB ASP A 51 -24.065 -27.055 -24.857 1.00 0.00 C ATOM 368 CG ASP A 51 -25.558 -26.827 -25.107 1.00 0.00 C ATOM 369 OD1 ASP A 51 -25.911 -26.845 -26.348 1.00 0.00 O ATOM 370 OD2 ASP A 51 -26.342 -26.641 -24.165 1.00 0.00 O ATOM 0 H ASP A 51 -21.206 -26.253 -26.078 1.00 0.00 H new ATOM 0 HA ASP A 51 -23.342 -25.755 -26.414 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.770 -27.989 -25.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -23.907 -27.183 -23.786 1.00 0.00 H new ATOM 371 N PHE A 52 -22.354 -23.979 -24.200 1.00 0.00 N ATOM 372 CA PHE A 52 -22.479 -22.688 -23.542 1.00 0.00 C ATOM 373 C PHE A 52 -21.568 -21.649 -24.198 1.00 0.00 C ATOM 374 O PHE A 52 -20.582 -22.000 -24.843 1.00 0.00 O ATOM 375 CB PHE A 52 -22.046 -22.884 -22.088 1.00 0.00 C ATOM 376 CG PHE A 52 -22.559 -24.179 -21.454 1.00 0.00 C ATOM 377 CD1 PHE A 52 -23.890 -24.458 -21.460 1.00 0.00 C ATOM 378 CD2 PHE A 52 -21.683 -25.051 -20.886 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.366 -25.661 -20.872 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.159 -26.253 -20.299 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.490 -26.532 -20.304 1.00 0.00 C ATOM 0 H PHE A 52 -21.395 -24.273 -24.383 1.00 0.00 H new ATOM 0 HA PHE A 52 -23.506 -22.330 -23.616 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -20.957 -22.875 -22.040 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.399 -22.038 -21.498 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -24.585 -23.766 -21.911 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -20.626 -24.829 -20.882 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.423 -25.883 -20.876 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.464 -26.946 -19.848 1.00 0.00 H new ATOM 0 HZ PHE A 52 -23.851 -27.446 -19.856 1.00 0.00 H new ATOM 382 N PRO A 53 -21.940 -20.355 -24.003 1.00 0.00 N ATOM 383 CA PRO A 53 -21.080 -19.258 -24.414 1.00 0.00 C ATOM 384 C PRO A 53 -19.899 -19.099 -23.454 1.00 0.00 C ATOM 385 O PRO A 53 -20.037 -19.327 -22.253 1.00 0.00 O ATOM 386 CB PRO A 53 -21.986 -18.039 -24.450 1.00 0.00 C ATOM 387 CG PRO A 53 -23.204 -18.400 -23.615 1.00 0.00 C ATOM 388 CD PRO A 53 -23.187 -19.903 -23.390 1.00 0.00 C ATOM 0 HA PRO A 53 -20.622 -19.425 -25.389 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -21.479 -17.164 -24.044 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -22.272 -17.795 -25.473 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.184 -17.871 -22.662 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.119 -18.101 -24.126 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.217 -20.145 -22.328 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.051 -20.382 -23.850 1.00 0.00 H new ATOM 389 N ASP A 54 -18.767 -18.709 -24.019 1.00 0.00 N ATOM 390 CA ASP A 54 -17.574 -18.478 -23.223 1.00 0.00 C ATOM 391 C ASP A 54 -17.738 -17.180 -22.430 1.00 0.00 C ATOM 392 O ASP A 54 -18.485 -16.291 -22.835 1.00 0.00 O ATOM 393 CB ASP A 54 -16.337 -18.335 -24.112 1.00 0.00 C ATOM 394 CG ASP A 54 -16.039 -19.541 -25.005 1.00 0.00 C ATOM 395 OD1 ASP A 54 -16.608 -20.627 -24.823 1.00 0.00 O ATOM 396 OD2 ASP A 54 -15.171 -19.329 -25.936 1.00 0.00 O ATOM 0 H ASP A 54 -18.650 -18.547 -25.019 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.443 -19.331 -22.557 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.462 -17.456 -24.744 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.471 -18.150 -23.477 1.00 0.00 H new ATOM 397 N ASP A 55 -17.029 -17.113 -21.313 1.00 0.00 N ATOM 398 CA ASP A 55 -17.153 -15.977 -20.415 1.00 0.00 C ATOM 399 C ASP A 55 -16.082 -14.939 -20.761 1.00 0.00 C ATOM 400 O ASP A 55 -14.891 -15.241 -20.742 1.00 0.00 O ATOM 401 CB ASP A 55 -16.946 -16.401 -18.959 1.00 0.00 C ATOM 402 CG ASP A 55 -16.547 -15.271 -18.007 1.00 0.00 C ATOM 403 OD1 ASP A 55 -16.874 -14.097 -18.237 1.00 0.00 O ATOM 404 OD2 ASP A 55 -15.864 -15.641 -16.977 1.00 0.00 O ATOM 0 H ASP A 55 -16.367 -17.827 -21.009 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.154 -15.563 -20.532 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.867 -16.855 -18.594 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.176 -17.172 -18.927 1.00 0.00 H new ATOM 405 N ARG A 56 -16.548 -13.738 -21.071 1.00 0.00 N ATOM 406 CA ARG A 56 -15.648 -12.663 -21.451 1.00 0.00 C ATOM 407 C ARG A 56 -15.467 -11.685 -20.288 1.00 0.00 C ATOM 408 O ARG A 56 -16.349 -11.554 -19.441 1.00 0.00 O ATOM 409 CB ARG A 56 -16.181 -11.904 -22.668 1.00 0.00 C ATOM 410 CG ARG A 56 -17.045 -12.810 -23.545 1.00 0.00 C ATOM 411 CD ARG A 56 -17.174 -12.245 -24.961 1.00 0.00 C ATOM 412 NE ARG A 56 -15.886 -12.375 -25.678 1.00 0.00 N ATOM 413 CZ ARG A 56 -15.765 -12.371 -27.013 1.00 0.00 C ATOM 414 NH1 ARG A 56 -16.822 -12.075 -27.779 1.00 0.00 N ATOM 415 NH2 ARG A 56 -14.587 -12.664 -27.579 1.00 0.00 N ATOM 0 H ARG A 56 -17.536 -13.486 -21.067 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.687 -13.110 -21.707 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.767 -11.046 -22.338 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.347 -11.515 -23.252 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.606 -13.807 -23.586 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.035 -12.915 -23.101 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.956 -12.776 -25.503 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.471 -11.197 -24.917 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.037 -12.474 -25.121 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.719 -11.853 -27.347 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.731 -12.072 -28.795 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.782 -12.890 -26.994 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.494 -12.661 -28.595 1.00 0.00 H new ATOM 416 N CYS A 57 -14.318 -11.026 -20.284 1.00 0.00 N ATOM 417 CA CYS A 57 -13.975 -10.127 -19.196 1.00 0.00 C ATOM 418 C CYS A 57 -14.435 -8.718 -19.573 1.00 0.00 C ATOM 419 O CYS A 57 -15.147 -8.536 -20.559 1.00 0.00 O ATOM 420 CB CYS A 57 -12.480 -10.173 -18.874 1.00 0.00 C ATOM 421 SG CYS A 57 -12.082 -10.421 -17.105 1.00 0.00 S ATOM 0 H CYS A 57 -13.613 -11.097 -21.017 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.485 -10.443 -18.286 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.023 -10.977 -19.451 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.022 -9.242 -19.208 1.00 0.00 H new ATOM 422 N THR A 58 -14.008 -7.755 -18.768 1.00 0.00 N ATOM 423 CA THR A 58 -14.343 -6.364 -19.023 1.00 0.00 C ATOM 424 C THR A 58 -13.176 -5.652 -19.713 1.00 0.00 C ATOM 425 O THR A 58 -13.368 -4.626 -20.362 1.00 0.00 O ATOM 426 CB THR A 58 -14.744 -5.724 -17.693 1.00 0.00 C ATOM 427 OG1 THR A 58 -13.502 -5.374 -17.087 1.00 0.00 O ATOM 428 CG2 THR A 58 -15.361 -6.731 -16.721 1.00 0.00 C ATOM 0 H THR A 58 -13.434 -7.911 -17.940 1.00 0.00 H new ATOM 0 HA THR A 58 -15.186 -6.279 -19.709 1.00 0.00 H new ATOM 0 HB THR A 58 -15.453 -4.917 -17.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.454 -5.766 -16.190 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.628 -6.225 -15.793 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.255 -7.166 -17.167 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.640 -7.521 -16.509 1.00 0.00 H new ATOM 429 N GLY A 59 -11.993 -6.226 -19.546 1.00 0.00 N ATOM 430 CA GLY A 59 -10.795 -5.655 -20.139 1.00 0.00 C ATOM 431 C GLY A 59 -9.878 -5.068 -19.065 1.00 0.00 C ATOM 432 O GLY A 59 -8.683 -5.358 -19.038 1.00 0.00 O ATOM 0 H GLY A 59 -11.839 -7.079 -19.009 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.261 -6.423 -20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.072 -4.877 -20.850 1.00 0.00 H new ATOM 433 N LEU A 60 -10.472 -4.253 -18.206 1.00 0.00 N ATOM 434 CA LEU A 60 -9.707 -3.544 -17.195 1.00 0.00 C ATOM 435 C LEU A 60 -9.770 -4.319 -15.877 1.00 0.00 C ATOM 436 O LEU A 60 -9.922 -3.727 -14.810 1.00 0.00 O ATOM 437 CB LEU A 60 -10.185 -2.096 -17.078 1.00 0.00 C ATOM 438 CG LEU A 60 -10.282 -1.313 -18.390 1.00 0.00 C ATOM 439 CD1 LEU A 60 -10.846 0.089 -18.153 1.00 0.00 C ATOM 440 CD2 LEU A 60 -8.931 -1.274 -19.106 1.00 0.00 C ATOM 0 H LEU A 60 -11.475 -4.068 -18.189 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.657 -3.487 -17.483 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.167 -2.096 -16.604 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.508 -1.564 -16.410 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.980 -1.833 -19.047 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.904 0.623 -19.101 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.843 0.012 -17.719 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.194 0.633 -17.470 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.028 -0.712 -20.035 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.193 -0.791 -18.465 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.608 -2.291 -19.329 1.00 0.00 H new ATOM 441 N SER A 61 -9.650 -5.635 -15.996 1.00 0.00 N ATOM 442 CA SER A 61 -9.705 -6.498 -14.829 1.00 0.00 C ATOM 443 C SER A 61 -8.572 -7.525 -14.884 1.00 0.00 C ATOM 444 O SER A 61 -8.099 -7.876 -15.964 1.00 0.00 O ATOM 445 CB SER A 61 -11.057 -7.207 -14.731 1.00 0.00 C ATOM 446 OG SER A 61 -12.119 -6.403 -15.239 1.00 0.00 O ATOM 0 H SER A 61 -9.515 -6.122 -16.882 1.00 0.00 H new ATOM 0 HA SER A 61 -9.584 -5.879 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.016 -8.145 -15.285 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.259 -7.460 -13.690 1.00 0.00 H new ATOM 0 HG SER A 61 -11.987 -6.255 -16.199 1.00 0.00 H new ATOM 447 N ASN A 62 -8.168 -7.976 -13.705 1.00 0.00 N ATOM 448 CA ASN A 62 -7.155 -9.014 -13.609 1.00 0.00 C ATOM 449 C ASN A 62 -7.760 -10.249 -12.937 1.00 0.00 C ATOM 450 O ASN A 62 -7.095 -11.276 -12.803 1.00 0.00 O ATOM 451 CB ASN A 62 -5.968 -8.550 -12.764 1.00 0.00 C ATOM 452 CG ASN A 62 -5.050 -9.723 -12.416 1.00 0.00 C ATOM 453 OD1 ASN A 62 -5.230 -10.414 -11.427 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.057 -9.908 -13.283 1.00 0.00 N ATOM 0 H ASN A 62 -8.523 -7.642 -12.809 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.811 -9.244 -14.617 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.405 -7.792 -13.308 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.330 -8.083 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.389 -10.665 -13.139 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.964 -9.292 -14.091 1.00 0.00 H new ATOM 455 N ASP A 63 -9.014 -10.109 -12.533 1.00 0.00 N ATOM 456 CA ASP A 63 -9.763 -11.240 -12.013 1.00 0.00 C ATOM 457 C ASP A 63 -10.637 -11.824 -13.125 1.00 0.00 C ATOM 458 O ASP A 63 -10.842 -11.186 -14.156 1.00 0.00 O ATOM 459 CB ASP A 63 -10.682 -10.813 -10.866 1.00 0.00 C ATOM 460 CG ASP A 63 -10.235 -9.555 -10.115 1.00 0.00 C ATOM 461 OD1 ASP A 63 -10.519 -8.441 -10.701 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.649 -9.637 -9.026 1.00 0.00 O ATOM 0 H ASP A 63 -9.530 -9.229 -12.555 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.048 -11.977 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.682 -10.644 -11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.757 -11.636 -10.155 1.00 0.00 H new ATOM 463 N CYS A 64 -11.126 -13.029 -12.878 1.00 0.00 N ATOM 464 CA CYS A 64 -11.962 -13.712 -13.852 1.00 0.00 C ATOM 465 C CYS A 64 -13.302 -14.039 -13.191 1.00 0.00 C ATOM 466 O CYS A 64 -13.462 -15.103 -12.597 1.00 0.00 O ATOM 467 CB CYS A 64 -11.279 -14.964 -14.405 1.00 0.00 C ATOM 468 SG CYS A 64 -12.349 -16.032 -15.435 1.00 0.00 S ATOM 0 H CYS A 64 -10.960 -13.551 -12.018 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.130 -13.061 -14.710 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.417 -14.658 -14.998 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.899 -15.552 -13.570 1.00 0.00 H new ATOM 469 N PRO A 65 -14.255 -13.077 -13.318 1.00 0.00 N ATOM 470 CA PRO A 65 -15.575 -13.250 -12.735 1.00 0.00 C ATOM 471 C PRO A 65 -16.411 -14.236 -13.553 1.00 0.00 C ATOM 472 O PRO A 65 -16.042 -14.591 -14.671 1.00 0.00 O ATOM 473 CB PRO A 65 -16.174 -11.853 -12.697 1.00 0.00 C ATOM 474 CG PRO A 65 -15.363 -11.025 -13.679 1.00 0.00 C ATOM 475 CD PRO A 65 -14.104 -11.806 -14.019 1.00 0.00 C ATOM 0 HA PRO A 65 -15.540 -13.682 -11.735 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.227 -11.872 -12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.120 -11.432 -11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.943 -10.825 -14.580 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.107 -10.059 -13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.009 -11.956 -15.094 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.209 -11.277 -13.691 1.00 0.00 H new ATOM 476 N ARG A 66 -17.522 -14.652 -12.962 1.00 0.00 N ATOM 477 CA ARG A 66 -18.419 -15.585 -13.626 1.00 0.00 C ATOM 478 C ARG A 66 -19.272 -14.852 -14.663 1.00 0.00 C ATOM 479 O ARG A 66 -19.409 -13.631 -14.610 1.00 0.00 O ATOM 480 CB ARG A 66 -19.336 -16.278 -12.617 1.00 0.00 C ATOM 481 CG ARG A 66 -18.532 -16.852 -11.448 1.00 0.00 C ATOM 482 CD ARG A 66 -17.809 -18.136 -11.859 1.00 0.00 C ATOM 483 NE ARG A 66 -16.785 -18.485 -10.849 1.00 0.00 N ATOM 484 CZ ARG A 66 -15.625 -17.833 -10.700 1.00 0.00 C ATOM 485 NH1 ARG A 66 -15.289 -16.858 -11.557 1.00 0.00 N ATOM 486 NH2 ARG A 66 -14.800 -18.154 -9.694 1.00 0.00 N ATOM 0 H ARG A 66 -17.822 -14.361 -12.032 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.808 -16.339 -14.121 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -20.073 -15.567 -12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.887 -17.078 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.806 -16.115 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.198 -17.058 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.526 -18.951 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.340 -18.003 -12.834 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.975 -19.271 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.917 -16.613 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.405 -16.361 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.056 -18.895 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.916 -17.657 -9.581 1.00 0.00 H new ATOM 487 N TRP A 67 -19.825 -15.630 -15.583 1.00 0.00 N ATOM 488 CA TRP A 67 -20.734 -15.083 -16.575 1.00 0.00 C ATOM 489 C TRP A 67 -22.098 -14.888 -15.912 1.00 0.00 C ATOM 490 O TRP A 67 -23.089 -15.480 -16.336 1.00 0.00 O ATOM 491 CB TRP A 67 -20.795 -15.980 -17.815 1.00 0.00 C ATOM 492 CG TRP A 67 -20.948 -15.213 -19.130 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.092 -14.343 -19.683 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.065 -15.285 -20.042 1.00 0.00 C ATOM 495 NE1 TRP A 67 -20.573 -13.850 -20.879 1.00 0.00 N ATOM 496 CE2 TRP A 67 -21.810 -14.442 -21.103 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.250 -16.038 -19.971 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -22.695 -14.270 -22.176 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -24.124 -15.856 -21.050 1.00 0.00 C ATOM 500 CH2 TRP A 67 -23.882 -15.011 -22.127 1.00 0.00 C ATOM 0 H TRP A 67 -19.661 -16.634 -15.662 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.379 -14.116 -16.931 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.887 -16.582 -17.861 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.631 -16.671 -17.710 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.144 -14.063 -19.247 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -20.107 -13.176 -21.486 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.469 -16.704 -19.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -22.474 -13.603 -22.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.051 -16.411 -21.045 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -24.607 -14.926 -22.923 1.00 0.00 H new