USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 620 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 Single : A 1 GLY N :NH3+ 149:sc= 0.116 (180deg=0.0101) USER MOD Single : A 4 SER OG : rot 40:sc= 0.5 USER MOD Single : A 7 THR OG1 : rot 130:sc= -0.0554 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.69) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.066) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 26 TYR OH : rot 170:sc= 1.12 USER MOD Single : A 30 THR OG1 : rot -32:sc= -0.783! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0.28 (180deg=-1.12) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.51) USER MOD Single : A 61 SER OG : rot 91:sc= 0.374 USER MOD Single : A 62 MET CE :methyl 177:sc= 0 (180deg=-0.0068) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.954 -12.353 -17.474 1.00 13.64 N ATOM 2 CA GLY A 1 -10.629 -13.023 -17.341 1.00 13.19 C ATOM 3 C GLY A 1 -9.584 -12.261 -18.163 1.00 12.36 C ATOM 4 O GLY A 1 -9.828 -11.129 -18.583 1.00 12.08 O ATOM 0 H1 GLY A 1 -12.711 -13.063 -17.401 1.00 13.64 H new ATOM 0 H2 GLY A 1 -12.065 -11.649 -16.716 1.00 13.64 H new ATOM 0 H3 GLY A 1 -12.012 -11.879 -18.398 1.00 13.64 H new ATOM 0 HA2 GLY A 1 -10.330 -13.055 -16.293 1.00 13.19 H new ATOM 0 HA3 GLY A 1 -10.696 -14.055 -17.685 1.00 13.19 H new ATOM 10 N PRO A 2 -8.408 -12.865 -18.405 1.00 12.13 N ATOM 11 CA PRO A 2 -7.343 -12.209 -19.187 1.00 11.53 C ATOM 12 C PRO A 2 -7.555 -12.339 -20.693 1.00 10.87 C ATOM 13 O PRO A 2 -7.388 -11.377 -21.444 1.00 11.06 O ATOM 14 CB PRO A 2 -6.101 -12.976 -18.748 1.00 11.92 C ATOM 15 CG PRO A 2 -6.567 -14.338 -18.250 1.00 12.50 C ATOM 16 CD PRO A 2 -8.061 -14.223 -17.925 1.00 12.69 C ATOM 0 HA PRO A 2 -7.295 -11.134 -19.012 1.00 11.53 H new ATOM 0 HB2 PRO A 2 -5.404 -13.088 -19.578 1.00 11.92 H new ATOM 0 HB3 PRO A 2 -5.574 -12.437 -17.960 1.00 11.92 H new ATOM 0 HG2 PRO A 2 -6.397 -15.102 -19.008 1.00 12.50 H new ATOM 0 HG3 PRO A 2 -6.004 -14.636 -17.366 1.00 12.50 H new ATOM 0 HD2 PRO A 2 -8.644 -14.991 -18.433 1.00 12.69 H new ATOM 0 HD3 PRO A 2 -8.251 -14.333 -16.857 1.00 12.69 H new ATOM 24 N ALA A 3 -7.924 -13.542 -21.126 1.00 10.31 N ATOM 25 CA ALA A 3 -8.157 -13.793 -22.546 1.00 9.88 C ATOM 26 C ALA A 3 -9.296 -12.921 -23.063 1.00 8.87 C ATOM 27 O ALA A 3 -9.189 -12.297 -24.120 1.00 8.87 O ATOM 28 CB ALA A 3 -8.509 -15.263 -22.778 1.00 10.41 C ATOM 0 H ALA A 3 -8.067 -14.351 -20.521 1.00 10.31 H new ATOM 0 HA ALA A 3 -7.241 -13.549 -23.085 1.00 9.88 H new ATOM 0 HB1 ALA A 3 -8.680 -15.433 -23.841 1.00 10.41 H new ATOM 0 HB2 ALA A 3 -7.687 -15.892 -22.437 1.00 10.41 H new ATOM 0 HB3 ALA A 3 -9.412 -15.513 -22.221 1.00 10.41 H new ATOM 34 N SER A 4 -10.390 -12.885 -22.308 1.00 8.23 N ATOM 35 CA SER A 4 -11.548 -12.086 -22.699 1.00 7.43 C ATOM 36 C SER A 4 -11.786 -10.963 -21.695 1.00 6.45 C ATOM 37 O SER A 4 -12.052 -11.211 -20.519 1.00 6.46 O ATOM 38 CB SER A 4 -12.801 -12.959 -22.775 1.00 7.71 C ATOM 39 OG SER A 4 -12.964 -13.652 -21.545 1.00 8.01 O ATOM 0 H SER A 4 -10.500 -13.394 -21.431 1.00 8.23 H new ATOM 0 HA SER A 4 -11.344 -11.658 -23.681 1.00 7.43 H new ATOM 0 HB2 SER A 4 -13.677 -12.342 -22.977 1.00 7.71 H new ATOM 0 HB3 SER A 4 -12.714 -13.669 -23.597 1.00 7.71 H new ATOM 0 HG SER A 4 -12.742 -13.054 -20.801 1.00 8.01 H new ATOM 45 N VAL A 5 -11.688 -9.727 -22.173 1.00 5.93 N ATOM 46 CA VAL A 5 -11.893 -8.568 -21.311 1.00 5.29 C ATOM 47 C VAL A 5 -13.138 -7.788 -21.754 1.00 4.34 C ATOM 48 O VAL A 5 -13.032 -6.830 -22.519 1.00 4.23 O ATOM 49 CB VAL A 5 -10.677 -7.641 -21.364 1.00 5.68 C ATOM 50 CG1 VAL A 5 -10.834 -6.531 -20.324 1.00 5.89 C ATOM 51 CG2 VAL A 5 -9.409 -8.444 -21.060 1.00 6.25 C ATOM 0 H VAL A 5 -11.470 -9.503 -23.144 1.00 5.93 H new ATOM 0 HA VAL A 5 -12.031 -8.925 -20.290 1.00 5.29 H new ATOM 0 HB VAL A 5 -10.601 -7.201 -22.358 1.00 5.68 H new ATOM 0 HG11 VAL A 5 -9.967 -5.871 -20.362 1.00 5.89 H new ATOM 0 HG12 VAL A 5 -11.736 -5.958 -20.537 1.00 5.89 H new ATOM 0 HG13 VAL A 5 -10.911 -6.972 -19.330 1.00 5.89 H new ATOM 0 HG21 VAL A 5 -8.542 -7.784 -21.098 1.00 6.25 H new ATOM 0 HG22 VAL A 5 -9.487 -8.884 -20.066 1.00 6.25 H new ATOM 0 HG23 VAL A 5 -9.294 -9.236 -21.800 1.00 6.25 H new ATOM 61 N PRO A 6 -14.333 -8.185 -21.283 1.00 4.14 N ATOM 62 CA PRO A 6 -15.582 -7.496 -21.653 1.00 3.76 C ATOM 63 C PRO A 6 -15.825 -6.239 -20.821 1.00 3.28 C ATOM 64 O PRO A 6 -16.452 -5.284 -21.280 1.00 3.74 O ATOM 65 CB PRO A 6 -16.637 -8.554 -21.356 1.00 4.55 C ATOM 66 CG PRO A 6 -16.044 -9.500 -20.319 1.00 5.11 C ATOM 67 CD PRO A 6 -14.522 -9.330 -20.361 1.00 4.91 C ATOM 0 HA PRO A 6 -15.578 -7.143 -22.684 1.00 3.76 H new ATOM 0 HB2 PRO A 6 -17.550 -8.093 -20.979 1.00 4.55 H new ATOM 0 HB3 PRO A 6 -16.905 -9.096 -22.263 1.00 4.55 H new ATOM 0 HG2 PRO A 6 -16.429 -9.270 -19.325 1.00 5.11 H new ATOM 0 HG3 PRO A 6 -16.321 -10.531 -20.537 1.00 5.11 H new ATOM 0 HD2 PRO A 6 -14.113 -9.122 -19.372 1.00 4.91 H new ATOM 0 HD3 PRO A 6 -14.027 -10.229 -20.729 1.00 4.91 H new ATOM 75 N THR A 7 -15.321 -6.253 -19.590 1.00 2.95 N ATOM 76 CA THR A 7 -15.485 -5.110 -18.697 1.00 3.10 C ATOM 77 C THR A 7 -14.437 -4.044 -19.000 1.00 2.71 C ATOM 78 O THR A 7 -13.641 -4.182 -19.928 1.00 3.34 O ATOM 79 CB THR A 7 -15.346 -5.548 -17.237 1.00 4.00 C ATOM 80 OG1 THR A 7 -14.465 -6.659 -17.161 1.00 4.61 O ATOM 81 CG2 THR A 7 -16.718 -5.942 -16.688 1.00 4.67 C ATOM 0 H THR A 7 -14.801 -7.035 -19.191 1.00 2.95 H new ATOM 0 HA THR A 7 -16.480 -4.696 -18.857 1.00 3.10 H new ATOM 0 HB THR A 7 -14.945 -4.725 -16.646 1.00 4.00 H new ATOM 0 HG1 THR A 7 -13.785 -6.491 -16.476 1.00 4.61 H new ATOM 0 HG21 THR A 7 -16.618 -6.254 -15.648 1.00 4.67 H new ATOM 0 HG22 THR A 7 -17.393 -5.088 -16.747 1.00 4.67 H new ATOM 0 HG23 THR A 7 -17.123 -6.766 -17.276 1.00 4.67 H new ATOM 89 N THR A 8 -14.448 -2.978 -18.205 1.00 2.31 N ATOM 90 CA THR A 8 -13.495 -1.888 -18.398 1.00 2.57 C ATOM 91 C THR A 8 -12.433 -1.895 -17.297 1.00 2.19 C ATOM 92 O THR A 8 -11.307 -1.445 -17.504 1.00 2.24 O ATOM 93 CB THR A 8 -14.215 -0.535 -18.395 1.00 3.29 C ATOM 94 OG1 THR A 8 -13.255 0.514 -18.401 1.00 3.87 O ATOM 95 CG2 THR A 8 -15.098 -0.419 -17.148 1.00 3.77 C ATOM 0 H THR A 8 -15.098 -2.845 -17.430 1.00 2.31 H new ATOM 0 HA THR A 8 -13.011 -2.037 -19.363 1.00 2.57 H new ATOM 0 HB THR A 8 -14.841 -0.459 -19.284 1.00 3.29 H new ATOM 0 HG1 THR A 8 -13.716 1.379 -18.401 1.00 3.87 H new ATOM 0 HG21 THR A 8 -15.607 0.545 -17.151 1.00 3.77 H new ATOM 0 HG22 THR A 8 -15.837 -1.220 -17.150 1.00 3.77 H new ATOM 0 HG23 THR A 8 -14.478 -0.499 -16.255 1.00 3.77 H new ATOM 103 N CYS A 9 -12.801 -2.408 -16.125 1.00 2.05 N ATOM 104 CA CYS A 9 -11.865 -2.465 -15.004 1.00 1.84 C ATOM 105 C CYS A 9 -11.131 -3.803 -14.992 1.00 1.86 C ATOM 106 O CYS A 9 -11.413 -4.690 -15.799 1.00 2.40 O ATOM 107 CB CYS A 9 -12.607 -2.284 -13.674 1.00 1.97 C ATOM 108 SG CYS A 9 -12.552 -0.543 -13.173 1.00 2.39 S ATOM 0 H CYS A 9 -13.728 -2.786 -15.928 1.00 2.05 H new ATOM 0 HA CYS A 9 -11.143 -1.657 -15.125 1.00 1.84 H new ATOM 0 HB2 CYS A 9 -13.642 -2.610 -13.777 1.00 1.97 H new ATOM 0 HB3 CYS A 9 -12.152 -2.908 -12.905 1.00 1.97 H new ATOM 113 N CYS A 10 -10.185 -3.938 -14.066 1.00 1.73 N ATOM 114 CA CYS A 10 -9.413 -5.171 -13.956 1.00 1.73 C ATOM 115 C CYS A 10 -9.874 -5.986 -12.753 1.00 1.76 C ATOM 116 O CYS A 10 -10.087 -5.450 -11.665 1.00 2.04 O ATOM 117 CB CYS A 10 -7.921 -4.860 -13.798 1.00 1.70 C ATOM 118 SG CYS A 10 -6.940 -6.177 -14.563 1.00 2.06 S ATOM 0 H CYS A 10 -9.937 -3.217 -13.388 1.00 1.73 H new ATOM 0 HA CYS A 10 -9.572 -5.745 -14.869 1.00 1.73 H new ATOM 0 HB2 CYS A 10 -7.688 -3.902 -14.263 1.00 1.70 H new ATOM 0 HB3 CYS A 10 -7.668 -4.771 -12.742 1.00 1.70 H new ATOM 123 N PHE A 11 -10.022 -7.290 -12.961 1.00 1.84 N ATOM 124 CA PHE A 11 -10.455 -8.179 -11.886 1.00 1.87 C ATOM 125 C PHE A 11 -9.305 -9.082 -11.449 1.00 1.89 C ATOM 126 O PHE A 11 -9.194 -9.445 -10.278 1.00 2.03 O ATOM 127 CB PHE A 11 -11.630 -9.043 -12.347 1.00 2.02 C ATOM 128 CG PHE A 11 -12.823 -8.158 -12.617 1.00 2.03 C ATOM 129 CD1 PHE A 11 -13.316 -7.322 -11.608 1.00 2.39 C ATOM 130 CD2 PHE A 11 -13.435 -8.171 -13.877 1.00 2.35 C ATOM 131 CE1 PHE A 11 -14.420 -6.498 -11.859 1.00 2.43 C ATOM 132 CE2 PHE A 11 -14.538 -7.347 -14.127 1.00 2.43 C ATOM 133 CZ PHE A 11 -15.031 -6.511 -13.118 1.00 2.16 C ATOM 0 H PHE A 11 -9.851 -7.752 -13.854 1.00 1.84 H new ATOM 0 HA PHE A 11 -10.771 -7.564 -11.043 1.00 1.87 H new ATOM 0 HB2 PHE A 11 -11.360 -9.594 -13.248 1.00 2.02 H new ATOM 0 HB3 PHE A 11 -11.875 -9.781 -11.583 1.00 2.02 H new ATOM 0 HD1 PHE A 11 -12.845 -7.313 -10.636 1.00 2.39 H new ATOM 0 HD2 PHE A 11 -13.056 -8.817 -14.655 1.00 2.35 H new ATOM 0 HE1 PHE A 11 -14.800 -5.852 -11.081 1.00 2.43 H new ATOM 0 HE2 PHE A 11 -15.009 -7.356 -15.099 1.00 2.43 H new ATOM 0 HZ PHE A 11 -15.883 -5.876 -13.311 1.00 2.16 H new ATOM 143 N ASN A 12 -8.447 -9.434 -12.404 1.00 1.97 N ATOM 144 CA ASN A 12 -7.303 -10.289 -12.108 1.00 2.02 C ATOM 145 C ASN A 12 -6.151 -9.453 -11.558 1.00 1.88 C ATOM 146 O ASN A 12 -5.244 -9.059 -12.292 1.00 1.90 O ATOM 147 CB ASN A 12 -6.835 -11.018 -13.369 1.00 2.19 C ATOM 148 CG ASN A 12 -7.866 -12.073 -13.759 1.00 2.61 C ATOM 149 OD1 ASN A 12 -7.606 -13.271 -13.658 1.00 3.12 O ATOM 150 ND2 ASN A 12 -9.033 -11.694 -14.202 1.00 3.11 N ATOM 0 H ASN A 12 -8.521 -9.143 -13.379 1.00 1.97 H new ATOM 0 HA ASN A 12 -7.612 -11.023 -11.364 1.00 2.02 H new ATOM 0 HB2 ASN A 12 -6.700 -10.307 -14.184 1.00 2.19 H new ATOM 0 HB3 ASN A 12 -5.867 -11.488 -13.192 1.00 2.19 H new ATOM 0 HD21 ASN A 12 -9.730 -12.391 -14.465 1.00 3.11 H new ATOM 0 HD22 ASN A 12 -9.249 -10.701 -14.286 1.00 3.11 H new ATOM 157 N LEU A 13 -6.203 -9.184 -10.258 1.00 1.77 N ATOM 158 CA LEU A 13 -5.164 -8.388 -9.609 1.00 1.64 C ATOM 159 C LEU A 13 -3.836 -9.136 -9.615 1.00 1.72 C ATOM 160 O LEU A 13 -3.791 -10.356 -9.454 1.00 1.94 O ATOM 161 CB LEU A 13 -5.558 -8.077 -8.167 1.00 1.56 C ATOM 162 CG LEU A 13 -6.914 -7.370 -8.156 1.00 1.51 C ATOM 163 CD1 LEU A 13 -7.480 -7.378 -6.737 1.00 1.49 C ATOM 164 CD2 LEU A 13 -6.741 -5.926 -8.631 1.00 1.39 C ATOM 0 H LEU A 13 -6.946 -9.502 -9.636 1.00 1.77 H new ATOM 0 HA LEU A 13 -5.054 -7.457 -10.165 1.00 1.64 H new ATOM 0 HB2 LEU A 13 -5.610 -8.997 -7.585 1.00 1.56 H new ATOM 0 HB3 LEU A 13 -4.802 -7.446 -7.699 1.00 1.56 H new ATOM 0 HG LEU A 13 -7.601 -7.890 -8.823 1.00 1.51 H new ATOM 0 HD11 LEU A 13 -8.447 -6.874 -6.728 1.00 1.49 H new ATOM 0 HD12 LEU A 13 -7.604 -8.407 -6.401 1.00 1.49 H new ATOM 0 HD13 LEU A 13 -6.794 -6.858 -6.069 1.00 1.49 H new ATOM 0 HD21 LEU A 13 -7.708 -5.422 -8.623 1.00 1.39 H new ATOM 0 HD22 LEU A 13 -6.054 -5.404 -7.965 1.00 1.39 H new ATOM 0 HD23 LEU A 13 -6.338 -5.922 -9.644 1.00 1.39 H new ATOM 176 N ALA A 14 -2.753 -8.389 -9.808 1.00 1.59 N ATOM 177 CA ALA A 14 -1.420 -8.985 -9.837 1.00 1.66 C ATOM 178 C ALA A 14 -1.102 -9.652 -8.504 1.00 1.65 C ATOM 179 O ALA A 14 -1.689 -9.324 -7.472 1.00 1.57 O ATOM 180 CB ALA A 14 -0.363 -7.916 -10.121 1.00 1.59 C ATOM 0 H ALA A 14 -2.770 -7.378 -9.946 1.00 1.59 H new ATOM 0 HA ALA A 14 -1.405 -9.733 -10.630 1.00 1.66 H new ATOM 0 HB1 ALA A 14 0.625 -8.377 -10.139 1.00 1.59 H new ATOM 0 HB2 ALA A 14 -0.565 -7.452 -11.086 1.00 1.59 H new ATOM 0 HB3 ALA A 14 -0.395 -7.156 -9.340 1.00 1.59 H new ATOM 186 N ASN A 15 -0.164 -10.595 -8.536 1.00 1.79 N ATOM 187 CA ASN A 15 0.230 -11.305 -7.323 1.00 1.82 C ATOM 188 C ASN A 15 1.694 -11.031 -7.002 1.00 1.80 C ATOM 189 O ASN A 15 2.048 -10.705 -5.869 1.00 1.76 O ATOM 190 CB ASN A 15 0.031 -12.812 -7.495 1.00 2.04 C ATOM 191 CG ASN A 15 -1.461 -13.131 -7.498 1.00 2.36 C ATOM 192 OD1 ASN A 15 -2.216 -12.612 -6.676 1.00 2.95 O ATOM 193 ND2 ASN A 15 -1.936 -13.963 -8.384 1.00 2.78 N ATOM 0 H ASN A 15 0.333 -10.883 -9.379 1.00 1.79 H new ATOM 0 HA ASN A 15 -0.396 -10.949 -6.505 1.00 1.82 H new ATOM 0 HB2 ASN A 15 0.487 -13.146 -8.427 1.00 2.04 H new ATOM 0 HB3 ASN A 15 0.527 -13.350 -6.687 1.00 2.04 H new ATOM 0 HD21 ASN A 15 -2.932 -14.183 -8.395 1.00 2.78 H new ATOM 0 HD22 ASN A 15 -1.311 -14.394 -9.066 1.00 2.78 H new ATOM 200 N ARG A 16 2.539 -11.161 -8.018 1.00 1.88 N ATOM 201 CA ARG A 16 3.969 -10.922 -7.843 1.00 1.89 C ATOM 202 C ARG A 16 4.240 -9.427 -7.710 1.00 1.70 C ATOM 203 O ARG A 16 3.897 -8.638 -8.591 1.00 1.66 O ATOM 204 CB ARG A 16 4.755 -11.468 -9.037 1.00 2.03 C ATOM 205 CG ARG A 16 4.793 -12.995 -8.968 1.00 2.27 C ATOM 206 CD ARG A 16 5.993 -13.514 -9.761 1.00 2.52 C ATOM 207 NE ARG A 16 5.687 -13.552 -11.194 1.00 3.05 N ATOM 208 CZ ARG A 16 6.615 -13.855 -12.113 1.00 3.51 C ATOM 209 NH1 ARG A 16 7.849 -14.133 -11.768 1.00 3.65 N ATOM 210 NH2 ARG A 16 6.283 -13.873 -13.375 1.00 4.27 N ATOM 0 H ARG A 16 2.264 -11.428 -8.963 1.00 1.88 H new ATOM 0 HA ARG A 16 4.290 -11.435 -6.936 1.00 1.89 H new ATOM 0 HB2 ARG A 16 4.290 -11.147 -9.969 1.00 2.03 H new ATOM 0 HB3 ARG A 16 5.769 -11.068 -9.032 1.00 2.03 H new ATOM 0 HG2 ARG A 16 4.862 -13.321 -7.930 1.00 2.27 H new ATOM 0 HG3 ARG A 16 3.870 -13.411 -9.372 1.00 2.27 H new ATOM 0 HD2 ARG A 16 6.857 -12.873 -9.585 1.00 2.52 H new ATOM 0 HD3 ARG A 16 6.261 -14.512 -9.414 1.00 2.52 H new ATOM 0 HE ARG A 16 4.738 -13.341 -11.502 1.00 3.05 H new ATOM 0 HH11 ARG A 16 8.118 -14.121 -10.784 1.00 3.65 H new ATOM 0 HH12 ARG A 16 8.539 -14.361 -12.483 1.00 3.65 H new ATOM 0 HH21 ARG A 16 5.326 -13.658 -13.654 1.00 4.27 H new ATOM 0 HH22 ARG A 16 6.981 -14.102 -14.083 1.00 4.27 H new ATOM 224 N LYS A 17 4.856 -9.046 -6.594 1.00 1.67 N ATOM 225 CA LYS A 17 5.166 -7.638 -6.345 1.00 1.53 C ATOM 226 C LYS A 17 6.059 -7.076 -7.451 1.00 1.51 C ATOM 227 O LYS A 17 7.041 -7.698 -7.857 1.00 1.61 O ATOM 228 CB LYS A 17 5.870 -7.470 -4.995 1.00 1.59 C ATOM 229 CG LYS A 17 7.149 -8.311 -4.963 1.00 1.98 C ATOM 230 CD LYS A 17 7.721 -8.313 -3.545 1.00 2.07 C ATOM 231 CE LYS A 17 9.205 -8.685 -3.592 1.00 2.71 C ATOM 232 NZ LYS A 17 9.352 -10.160 -3.437 1.00 3.18 N ATOM 0 H LYS A 17 5.148 -9.684 -5.854 1.00 1.67 H new ATOM 0 HA LYS A 17 4.224 -7.089 -6.331 1.00 1.53 H new ATOM 0 HB2 LYS A 17 6.111 -6.420 -4.830 1.00 1.59 H new ATOM 0 HB3 LYS A 17 5.204 -7.775 -4.188 1.00 1.59 H new ATOM 0 HG2 LYS A 17 6.935 -9.331 -5.282 1.00 1.98 H new ATOM 0 HG3 LYS A 17 7.881 -7.906 -5.662 1.00 1.98 H new ATOM 0 HD2 LYS A 17 7.596 -7.330 -3.090 1.00 2.07 H new ATOM 0 HD3 LYS A 17 7.177 -9.024 -2.923 1.00 2.07 H new ATOM 0 HE2 LYS A 17 9.642 -8.362 -4.537 1.00 2.71 H new ATOM 0 HE3 LYS A 17 9.746 -8.169 -2.798 1.00 2.71 H new ATOM 0 HZ1 LYS A 17 10.360 -10.414 -3.469 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 8.949 -10.455 -2.525 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 8.849 -10.642 -4.209 1.00 3.18 H new ATOM 246 N ILE A 18 5.703 -5.886 -7.928 1.00 1.40 N ATOM 247 CA ILE A 18 6.469 -5.232 -8.985 1.00 1.41 C ATOM 248 C ILE A 18 7.568 -4.353 -8.370 1.00 1.34 C ATOM 249 O ILE A 18 7.332 -3.689 -7.361 1.00 1.25 O ATOM 250 CB ILE A 18 5.543 -4.358 -9.838 1.00 1.35 C ATOM 251 CG1 ILE A 18 4.377 -5.207 -10.352 1.00 1.44 C ATOM 252 CG2 ILE A 18 6.315 -3.786 -11.029 1.00 1.42 C ATOM 253 CD1 ILE A 18 3.347 -4.302 -11.030 1.00 1.39 C ATOM 0 H ILE A 18 4.894 -5.358 -7.602 1.00 1.40 H new ATOM 0 HA ILE A 18 6.925 -5.999 -9.612 1.00 1.41 H new ATOM 0 HB ILE A 18 5.164 -3.537 -9.229 1.00 1.35 H new ATOM 0 HG12 ILE A 18 4.741 -5.954 -11.057 1.00 1.44 H new ATOM 0 HG13 ILE A 18 3.914 -5.747 -9.526 1.00 1.44 H new ATOM 0 HG21 ILE A 18 5.650 -3.166 -11.630 1.00 1.42 H new ATOM 0 HG22 ILE A 18 7.146 -3.181 -10.667 1.00 1.42 H new ATOM 0 HG23 ILE A 18 6.700 -4.603 -11.639 1.00 1.42 H new ATOM 0 HD11 ILE A 18 2.517 -4.906 -11.396 1.00 1.39 H new ATOM 0 HD12 ILE A 18 2.975 -3.572 -10.311 1.00 1.39 H new ATOM 0 HD13 ILE A 18 3.814 -3.782 -11.867 1.00 1.39 H new ATOM 265 N PRO A 19 8.781 -4.329 -8.954 1.00 1.42 N ATOM 266 CA PRO A 19 9.880 -3.507 -8.412 1.00 1.41 C ATOM 267 C PRO A 19 9.744 -2.030 -8.766 1.00 1.34 C ATOM 268 O PRO A 19 9.046 -1.660 -9.710 1.00 1.33 O ATOM 269 CB PRO A 19 11.109 -4.119 -9.068 1.00 1.55 C ATOM 270 CG PRO A 19 10.639 -4.819 -10.335 1.00 1.63 C ATOM 271 CD PRO A 19 9.141 -5.099 -10.171 1.00 1.56 C ATOM 0 HA PRO A 19 9.908 -3.517 -7.322 1.00 1.41 H new ATOM 0 HB2 PRO A 19 11.844 -3.349 -9.303 1.00 1.55 H new ATOM 0 HB3 PRO A 19 11.593 -4.826 -8.394 1.00 1.55 H new ATOM 0 HG2 PRO A 19 10.820 -4.194 -11.209 1.00 1.63 H new ATOM 0 HG3 PRO A 19 11.189 -5.747 -10.488 1.00 1.63 H new ATOM 0 HD2 PRO A 19 8.572 -4.767 -11.040 1.00 1.56 H new ATOM 0 HD3 PRO A 19 8.942 -6.163 -10.047 1.00 1.56 H new ATOM 279 N LEU A 20 10.416 -1.192 -7.985 1.00 1.32 N ATOM 280 CA LEU A 20 10.365 0.253 -8.201 1.00 1.31 C ATOM 281 C LEU A 20 11.310 0.675 -9.321 1.00 1.40 C ATOM 282 O LEU A 20 10.968 1.508 -10.159 1.00 1.43 O ATOM 283 CB LEU A 20 10.750 0.996 -6.919 1.00 1.31 C ATOM 284 CG LEU A 20 9.886 0.497 -5.758 1.00 1.26 C ATOM 285 CD1 LEU A 20 10.467 1.002 -4.436 1.00 1.32 C ATOM 286 CD2 LEU A 20 8.456 1.021 -5.921 1.00 1.19 C ATOM 0 H LEU A 20 11.000 -1.484 -7.201 1.00 1.32 H new ATOM 0 HA LEU A 20 9.344 0.508 -8.484 1.00 1.31 H new ATOM 0 HB2 LEU A 20 11.805 0.835 -6.696 1.00 1.31 H new ATOM 0 HB3 LEU A 20 10.613 2.069 -7.053 1.00 1.31 H new ATOM 0 HG LEU A 20 9.874 -0.593 -5.757 1.00 1.26 H new ATOM 0 HD11 LEU A 20 9.852 0.647 -3.609 1.00 1.32 H new ATOM 0 HD12 LEU A 20 11.484 0.628 -4.319 1.00 1.32 H new ATOM 0 HD13 LEU A 20 10.480 2.092 -4.437 1.00 1.32 H new ATOM 0 HD21 LEU A 20 7.842 0.665 -5.094 1.00 1.19 H new ATOM 0 HD22 LEU A 20 8.466 2.111 -5.923 1.00 1.19 H new ATOM 0 HD23 LEU A 20 8.041 0.660 -6.862 1.00 1.19 H new ATOM 298 N GLN A 21 12.505 0.095 -9.319 1.00 1.48 N ATOM 299 CA GLN A 21 13.505 0.422 -10.336 1.00 1.59 C ATOM 300 C GLN A 21 12.975 0.137 -11.738 1.00 1.61 C ATOM 301 O GLN A 21 13.355 0.795 -12.707 1.00 1.69 O ATOM 302 CB GLN A 21 14.783 -0.389 -10.112 1.00 1.68 C ATOM 303 CG GLN A 21 15.895 0.152 -11.012 1.00 1.78 C ATOM 304 CD GLN A 21 16.444 1.445 -10.421 1.00 1.91 C ATOM 305 OE1 GLN A 21 17.114 1.429 -9.389 1.00 2.31 O ATOM 306 NE2 GLN A 21 16.196 2.579 -11.020 1.00 2.28 N ATOM 0 H GLN A 21 12.806 -0.598 -8.633 1.00 1.48 H new ATOM 0 HA GLN A 21 13.726 1.486 -10.248 1.00 1.59 H new ATOM 0 HB2 GLN A 21 15.086 -0.330 -9.067 1.00 1.68 H new ATOM 0 HB3 GLN A 21 14.602 -1.441 -10.332 1.00 1.68 H new ATOM 0 HG2 GLN A 21 16.693 -0.585 -11.105 1.00 1.78 H new ATOM 0 HG3 GLN A 21 15.509 0.333 -12.015 1.00 1.78 H new ATOM 0 HE21 GLN A 21 15.641 2.593 -11.875 1.00 2.28 H new ATOM 0 HE22 GLN A 21 16.558 3.450 -10.632 1.00 2.28 H new ATOM 315 N ARG A 22 12.091 -0.850 -11.837 1.00 1.58 N ATOM 316 CA ARG A 22 11.513 -1.215 -13.125 1.00 1.64 C ATOM 317 C ARG A 22 10.201 -0.463 -13.382 1.00 1.57 C ATOM 318 O ARG A 22 9.683 -0.474 -14.498 1.00 1.65 O ATOM 319 CB ARG A 22 11.236 -2.716 -13.169 1.00 1.67 C ATOM 320 CG ARG A 22 11.304 -3.208 -14.615 1.00 1.81 C ATOM 321 CD ARG A 22 12.729 -3.666 -14.932 1.00 2.19 C ATOM 322 NE ARG A 22 12.900 -5.085 -14.608 1.00 2.69 N ATOM 323 CZ ARG A 22 13.937 -5.800 -15.068 1.00 3.31 C ATOM 324 NH1 ARG A 22 14.852 -5.258 -15.835 1.00 3.61 N ATOM 325 NH2 ARG A 22 14.038 -7.062 -14.745 1.00 4.07 N ATOM 0 H ARG A 22 11.761 -1.407 -11.049 1.00 1.58 H new ATOM 0 HA ARG A 22 12.233 -0.943 -13.897 1.00 1.64 H new ATOM 0 HB2 ARG A 22 11.965 -3.249 -12.558 1.00 1.67 H new ATOM 0 HB3 ARG A 22 10.253 -2.927 -12.748 1.00 1.67 H new ATOM 0 HG2 ARG A 22 10.605 -4.031 -14.764 1.00 1.81 H new ATOM 0 HG3 ARG A 22 11.007 -2.410 -15.296 1.00 1.81 H new ATOM 0 HD2 ARG A 22 12.943 -3.500 -15.988 1.00 2.19 H new ATOM 0 HD3 ARG A 22 13.443 -3.069 -14.364 1.00 2.19 H new ATOM 0 HE ARG A 22 12.209 -5.543 -14.014 1.00 2.69 H new ATOM 0 HH11 ARG A 22 14.783 -4.274 -16.093 1.00 3.61 H new ATOM 0 HH12 ARG A 22 15.632 -5.821 -16.174 1.00 3.61 H new ATOM 0 HH21 ARG A 22 13.332 -7.494 -14.149 1.00 4.07 H new ATOM 0 HH22 ARG A 22 14.823 -7.615 -15.089 1.00 4.07 H new ATOM 339 N LEU A 23 9.663 0.182 -12.344 1.00 1.46 N ATOM 340 CA LEU A 23 8.409 0.918 -12.488 1.00 1.41 C ATOM 341 C LEU A 23 8.620 2.219 -13.255 1.00 1.51 C ATOM 342 O LEU A 23 9.660 2.868 -13.143 1.00 1.58 O ATOM 343 CB LEU A 23 7.819 1.243 -11.108 1.00 1.30 C ATOM 344 CG LEU A 23 6.708 0.246 -10.773 1.00 1.21 C ATOM 345 CD1 LEU A 23 6.283 0.422 -9.309 1.00 1.12 C ATOM 346 CD2 LEU A 23 5.508 0.498 -11.689 1.00 1.22 C ATOM 0 H LEU A 23 10.070 0.209 -11.409 1.00 1.46 H new ATOM 0 HA LEU A 23 7.718 0.285 -13.045 1.00 1.41 H new ATOM 0 HB2 LEU A 23 8.600 1.200 -10.349 1.00 1.30 H new ATOM 0 HB3 LEU A 23 7.423 2.259 -11.101 1.00 1.30 H new ATOM 0 HG LEU A 23 7.073 -0.770 -10.922 1.00 1.21 H new ATOM 0 HD11 LEU A 23 5.491 -0.289 -9.072 1.00 1.12 H new ATOM 0 HD12 LEU A 23 7.139 0.243 -8.658 1.00 1.12 H new ATOM 0 HD13 LEU A 23 5.917 1.437 -9.156 1.00 1.12 H new ATOM 0 HD21 LEU A 23 4.715 -0.211 -11.453 1.00 1.22 H new ATOM 0 HD22 LEU A 23 5.143 1.514 -11.539 1.00 1.22 H new ATOM 0 HD23 LEU A 23 5.811 0.371 -12.728 1.00 1.22 H new ATOM 358 N GLU A 24 7.605 2.591 -14.029 1.00 1.55 N ATOM 359 CA GLU A 24 7.659 3.821 -14.813 1.00 1.66 C ATOM 360 C GLU A 24 6.535 4.765 -14.391 1.00 1.63 C ATOM 361 O GLU A 24 6.736 5.973 -14.261 1.00 1.71 O ATOM 362 CB GLU A 24 7.518 3.512 -16.306 1.00 1.79 C ATOM 363 CG GLU A 24 7.864 4.760 -17.120 1.00 2.10 C ATOM 364 CD GLU A 24 9.366 4.794 -17.386 1.00 2.48 C ATOM 365 OE1 GLU A 24 9.920 3.747 -17.678 1.00 3.03 O ATOM 366 OE2 GLU A 24 9.941 5.865 -17.292 1.00 2.89 O ATOM 0 H GLU A 24 6.739 2.062 -14.130 1.00 1.55 H new ATOM 0 HA GLU A 24 8.623 4.296 -14.633 1.00 1.66 H new ATOM 0 HB2 GLU A 24 8.179 2.690 -16.582 1.00 1.79 H new ATOM 0 HB3 GLU A 24 6.500 3.191 -16.527 1.00 1.79 H new ATOM 0 HG2 GLU A 24 7.317 4.755 -18.063 1.00 2.10 H new ATOM 0 HG3 GLU A 24 7.559 5.656 -16.579 1.00 2.10 H new ATOM 373 N SER A 25 5.349 4.196 -14.177 1.00 1.54 N ATOM 374 CA SER A 25 4.190 4.989 -13.766 1.00 1.52 C ATOM 375 C SER A 25 2.974 4.083 -13.599 1.00 1.41 C ATOM 376 O SER A 25 2.903 3.006 -14.190 1.00 1.40 O ATOM 377 CB SER A 25 3.872 6.063 -14.807 1.00 1.67 C ATOM 378 OG SER A 25 2.715 6.781 -14.402 1.00 2.07 O ATOM 0 H SER A 25 5.166 3.198 -14.280 1.00 1.54 H new ATOM 0 HA SER A 25 4.427 5.471 -12.818 1.00 1.52 H new ATOM 0 HB2 SER A 25 4.717 6.743 -14.915 1.00 1.67 H new ATOM 0 HB3 SER A 25 3.706 5.604 -15.782 1.00 1.67 H new ATOM 0 HG SER A 25 2.509 7.472 -15.066 1.00 2.07 H new ATOM 384 N TYR A 26 2.016 4.526 -12.786 1.00 1.39 N ATOM 385 CA TYR A 26 0.810 3.733 -12.556 1.00 1.30 C ATOM 386 C TYR A 26 -0.436 4.492 -13.027 1.00 1.36 C ATOM 387 O TYR A 26 -0.424 5.717 -13.153 1.00 1.44 O ATOM 388 CB TYR A 26 0.696 3.343 -11.063 1.00 1.15 C ATOM 389 CG TYR A 26 0.129 4.476 -10.222 1.00 1.13 C ATOM 390 CD1 TYR A 26 -1.255 4.591 -10.045 1.00 1.57 C ATOM 391 CD2 TYR A 26 0.989 5.397 -9.618 1.00 1.74 C ATOM 392 CE1 TYR A 26 -1.777 5.630 -9.266 1.00 1.62 C ATOM 393 CE2 TYR A 26 0.469 6.435 -8.839 1.00 1.73 C ATOM 394 CZ TYR A 26 -0.915 6.552 -8.662 1.00 1.19 C ATOM 395 OH TYR A 26 -1.429 7.577 -7.893 1.00 1.28 O ATOM 0 H TYR A 26 2.049 5.413 -12.284 1.00 1.39 H new ATOM 0 HA TYR A 26 0.882 2.816 -13.140 1.00 1.30 H new ATOM 0 HB2 TYR A 26 0.059 2.464 -10.965 1.00 1.15 H new ATOM 0 HB3 TYR A 26 1.680 3.067 -10.684 1.00 1.15 H new ATOM 0 HD1 TYR A 26 -1.920 3.878 -10.510 1.00 1.57 H new ATOM 0 HD2 TYR A 26 2.057 5.307 -9.753 1.00 1.74 H new ATOM 0 HE1 TYR A 26 -2.845 5.720 -9.131 1.00 1.62 H new ATOM 0 HE2 TYR A 26 1.135 7.147 -8.374 1.00 1.73 H new ATOM 0 HH TYR A 26 -0.699 8.028 -7.420 1.00 1.28 H new ATOM 405 N ARG A 27 -1.505 3.746 -13.282 1.00 1.34 N ATOM 406 CA ARG A 27 -2.754 4.349 -13.737 1.00 1.42 C ATOM 407 C ARG A 27 -3.931 3.791 -12.944 1.00 1.32 C ATOM 408 O ARG A 27 -4.331 2.641 -13.123 1.00 1.29 O ATOM 409 CB ARG A 27 -2.976 4.067 -15.223 1.00 1.57 C ATOM 410 CG ARG A 27 -4.093 4.969 -15.752 1.00 1.91 C ATOM 411 CD ARG A 27 -4.787 4.284 -16.931 1.00 2.15 C ATOM 412 NE ARG A 27 -5.356 5.278 -17.843 1.00 2.51 N ATOM 413 CZ ARG A 27 -6.264 4.952 -18.775 1.00 2.96 C ATOM 414 NH1 ARG A 27 -6.686 3.719 -18.912 1.00 3.26 N ATOM 415 NH2 ARG A 27 -6.738 5.882 -19.559 1.00 3.60 N ATOM 0 H ARG A 27 -1.533 2.731 -13.183 1.00 1.34 H new ATOM 0 HA ARG A 27 -2.685 5.425 -13.580 1.00 1.42 H new ATOM 0 HB2 ARG A 27 -2.056 4.245 -15.779 1.00 1.57 H new ATOM 0 HB3 ARG A 27 -3.239 3.020 -15.370 1.00 1.57 H new ATOM 0 HG2 ARG A 27 -4.814 5.174 -14.961 1.00 1.91 H new ATOM 0 HG3 ARG A 27 -3.682 5.929 -16.066 1.00 1.91 H new ATOM 0 HD2 ARG A 27 -4.073 3.658 -17.466 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -5.575 3.626 -16.564 1.00 2.15 H new ATOM 0 HE ARG A 27 -5.052 6.249 -17.767 1.00 2.51 H new ATOM 0 HH11 ARG A 27 -6.323 2.985 -18.303 1.00 3.26 H new ATOM 0 HH12 ARG A 27 -7.377 3.493 -19.627 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -6.418 6.845 -19.459 1.00 3.60 H new ATOM 0 HH22 ARG A 27 -7.429 5.645 -20.271 1.00 3.60 H new ATOM 429 N ARG A 28 -4.481 4.620 -12.061 1.00 1.31 N ATOM 430 CA ARG A 28 -5.614 4.201 -11.241 1.00 1.25 C ATOM 431 C ARG A 28 -6.928 4.462 -11.970 1.00 1.35 C ATOM 432 O ARG A 28 -7.032 5.374 -12.789 1.00 1.48 O ATOM 433 CB ARG A 28 -5.624 4.959 -9.911 1.00 1.26 C ATOM 434 CG ARG A 28 -6.679 4.352 -8.984 1.00 1.25 C ATOM 435 CD ARG A 28 -6.443 4.839 -7.554 1.00 1.52 C ATOM 436 NE ARG A 28 -6.468 6.303 -7.496 1.00 1.69 N ATOM 437 CZ ARG A 28 -7.615 6.998 -7.524 1.00 2.01 C ATOM 438 NH1 ARG A 28 -8.776 6.391 -7.606 1.00 2.51 N ATOM 439 NH2 ARG A 28 -7.575 8.301 -7.469 1.00 2.49 N ATOM 0 H ARG A 28 -4.165 5.576 -11.896 1.00 1.31 H new ATOM 0 HA ARG A 28 -5.511 3.133 -11.050 1.00 1.25 H new ATOM 0 HB2 ARG A 28 -4.641 4.907 -9.443 1.00 1.26 H new ATOM 0 HB3 ARG A 28 -5.840 6.014 -10.083 1.00 1.26 H new ATOM 0 HG2 ARG A 28 -7.677 4.637 -9.316 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -6.629 3.264 -9.022 1.00 1.25 H new ATOM 0 HD2 ARG A 28 -7.208 4.431 -6.894 1.00 1.52 H new ATOM 0 HD3 ARG A 28 -5.482 4.472 -7.193 1.00 1.52 H new ATOM 0 HE ARG A 28 -5.585 6.810 -7.432 1.00 1.69 H new ATOM 0 HH11 ARG A 28 -8.817 5.373 -7.650 1.00 2.51 H new ATOM 0 HH12 ARG A 28 -9.637 6.938 -7.626 1.00 2.51 H new ATOM 0 HH21 ARG A 28 -6.677 8.781 -7.405 1.00 2.49 H new ATOM 0 HH22 ARG A 28 -8.441 8.839 -7.490 1.00 2.49 H new ATOM 453 N ILE A 29 -7.931 3.644 -11.661 1.00 1.33 N ATOM 454 CA ILE A 29 -9.241 3.787 -12.289 1.00 1.45 C ATOM 455 C ILE A 29 -10.279 4.209 -11.254 1.00 1.43 C ATOM 456 O ILE A 29 -10.153 3.910 -10.067 1.00 1.36 O ATOM 457 CB ILE A 29 -9.675 2.463 -12.925 1.00 1.51 C ATOM 458 CG1 ILE A 29 -8.570 1.955 -13.855 1.00 1.57 C ATOM 459 CG2 ILE A 29 -10.955 2.679 -13.731 1.00 1.67 C ATOM 460 CD1 ILE A 29 -8.885 0.523 -14.288 1.00 1.70 C ATOM 0 H ILE A 29 -7.863 2.882 -10.986 1.00 1.33 H new ATOM 0 HA ILE A 29 -9.167 4.552 -13.062 1.00 1.45 H new ATOM 0 HB ILE A 29 -9.857 1.728 -12.141 1.00 1.51 H new ATOM 0 HG12 ILE A 29 -8.490 2.601 -14.729 1.00 1.57 H new ATOM 0 HG13 ILE A 29 -7.607 1.988 -13.345 1.00 1.57 H new ATOM 0 HG21 ILE A 29 -11.263 1.737 -14.183 1.00 1.67 H new ATOM 0 HG22 ILE A 29 -11.744 3.040 -13.071 1.00 1.67 H new ATOM 0 HG23 ILE A 29 -10.772 3.415 -14.514 1.00 1.67 H new ATOM 0 HD11 ILE A 29 -8.098 0.162 -14.950 1.00 1.70 H new ATOM 0 HD12 ILE A 29 -8.943 -0.119 -13.409 1.00 1.70 H new ATOM 0 HD13 ILE A 29 -9.839 0.504 -14.814 1.00 1.70 H new ATOM 472 N THR A 30 -11.309 4.910 -11.720 1.00 1.59 N ATOM 473 CA THR A 30 -12.369 5.371 -10.827 1.00 1.64 C ATOM 474 C THR A 30 -13.617 5.742 -11.626 1.00 1.87 C ATOM 475 O THR A 30 -14.370 6.638 -11.245 1.00 2.31 O ATOM 476 CB THR A 30 -11.906 6.593 -10.030 1.00 1.74 C ATOM 477 OG1 THR A 30 -10.597 6.360 -9.530 1.00 2.30 O ATOM 478 CG2 THR A 30 -12.865 6.838 -8.865 1.00 2.22 C ATOM 0 H THR A 30 -11.432 5.169 -12.699 1.00 1.59 H new ATOM 0 HA THR A 30 -12.605 4.559 -10.140 1.00 1.64 H new ATOM 0 HB THR A 30 -11.897 7.469 -10.678 1.00 1.74 H new ATOM 0 HG1 THR A 30 -10.485 5.405 -9.340 1.00 2.30 H new ATOM 0 HG21 THR A 30 -12.534 7.708 -8.298 1.00 2.22 H new ATOM 0 HG22 THR A 30 -13.869 7.016 -9.251 1.00 2.22 H new ATOM 0 HG23 THR A 30 -12.877 5.964 -8.214 1.00 2.22 H new ATOM 486 N SER A 31 -13.824 5.041 -12.738 1.00 2.05 N ATOM 487 CA SER A 31 -14.981 5.303 -13.585 1.00 2.29 C ATOM 488 C SER A 31 -16.268 4.897 -12.873 1.00 2.24 C ATOM 489 O SER A 31 -16.274 3.985 -12.045 1.00 2.70 O ATOM 490 CB SER A 31 -14.871 4.526 -14.897 1.00 3.07 C ATOM 491 OG SER A 31 -15.964 4.868 -15.740 1.00 3.47 O ATOM 0 H SER A 31 -13.212 4.295 -13.070 1.00 2.05 H new ATOM 0 HA SER A 31 -15.006 6.372 -13.797 1.00 2.29 H new ATOM 0 HB2 SER A 31 -13.928 4.758 -15.392 1.00 3.07 H new ATOM 0 HB3 SER A 31 -14.871 3.454 -14.699 1.00 3.07 H new ATOM 0 HG SER A 31 -15.895 4.372 -16.583 1.00 3.47 H new ATOM 497 N GLY A 32 -17.356 5.584 -13.206 1.00 2.23 N ATOM 498 CA GLY A 32 -18.648 5.287 -12.592 1.00 2.54 C ATOM 499 C GLY A 32 -19.203 3.966 -13.114 1.00 2.44 C ATOM 500 O GLY A 32 -19.894 3.241 -12.399 1.00 2.68 O ATOM 0 H GLY A 32 -17.371 6.341 -13.889 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -18.539 5.238 -11.509 1.00 2.54 H new ATOM 0 HA3 GLY A 32 -19.351 6.092 -12.805 1.00 2.54 H new ATOM 504 N LYS A 33 -18.892 3.664 -14.372 1.00 2.37 N ATOM 505 CA LYS A 33 -19.363 2.425 -14.988 1.00 2.49 C ATOM 506 C LYS A 33 -18.659 1.219 -14.373 1.00 2.30 C ATOM 507 O LYS A 33 -19.228 0.131 -14.285 1.00 2.48 O ATOM 508 CB LYS A 33 -19.096 2.442 -16.495 1.00 2.87 C ATOM 509 CG LYS A 33 -20.133 1.573 -17.206 1.00 3.62 C ATOM 510 CD LYS A 33 -21.343 2.428 -17.588 1.00 4.07 C ATOM 511 CE LYS A 33 -21.026 3.225 -18.854 1.00 4.74 C ATOM 512 NZ LYS A 33 -22.279 3.440 -19.633 1.00 5.35 N ATOM 0 H LYS A 33 -18.322 4.252 -14.980 1.00 2.37 H new ATOM 0 HA LYS A 33 -20.435 2.348 -14.809 1.00 2.49 H new ATOM 0 HB2 LYS A 33 -19.142 3.464 -16.872 1.00 2.87 H new ATOM 0 HB3 LYS A 33 -18.092 2.071 -16.701 1.00 2.87 H new ATOM 0 HG2 LYS A 33 -19.696 1.124 -18.098 1.00 3.62 H new ATOM 0 HG3 LYS A 33 -20.444 0.755 -16.556 1.00 3.62 H new ATOM 0 HD2 LYS A 33 -22.213 1.792 -17.754 1.00 4.07 H new ATOM 0 HD3 LYS A 33 -21.595 3.106 -16.772 1.00 4.07 H new ATOM 0 HE2 LYS A 33 -20.580 4.184 -18.591 1.00 4.74 H new ATOM 0 HE3 LYS A 33 -20.296 2.689 -19.460 1.00 4.74 H new ATOM 0 HZ1 LYS A 33 -22.064 3.982 -20.494 1.00 5.35 H new ATOM 0 HZ2 LYS A 33 -22.687 2.520 -19.896 1.00 5.35 H new ATOM 0 HZ3 LYS A 33 -22.962 3.968 -19.053 1.00 5.35 H new ATOM 526 N CYS A 34 -17.414 1.424 -13.950 1.00 2.10 N ATOM 527 CA CYS A 34 -16.636 0.343 -13.346 1.00 1.97 C ATOM 528 C CYS A 34 -17.337 -0.178 -12.082 1.00 2.00 C ATOM 529 O CYS A 34 -17.999 0.585 -11.379 1.00 2.06 O ATOM 530 CB CYS A 34 -15.232 0.841 -12.972 1.00 1.79 C ATOM 531 SG CYS A 34 -14.035 0.328 -14.232 1.00 1.82 S ATOM 0 H CYS A 34 -16.926 2.317 -14.013 1.00 2.10 H new ATOM 0 HA CYS A 34 -16.553 -0.464 -14.074 1.00 1.97 H new ATOM 0 HB2 CYS A 34 -15.235 1.927 -12.882 1.00 1.79 H new ATOM 0 HB3 CYS A 34 -14.943 0.442 -12.000 1.00 1.79 H new ATOM 536 N PRO A 35 -17.199 -1.481 -11.773 1.00 2.03 N ATOM 537 CA PRO A 35 -17.832 -2.066 -10.578 1.00 2.12 C ATOM 538 C PRO A 35 -17.004 -1.848 -9.314 1.00 1.98 C ATOM 539 O PRO A 35 -17.539 -1.754 -8.210 1.00 2.08 O ATOM 540 CB PRO A 35 -17.889 -3.546 -10.934 1.00 2.27 C ATOM 541 CG PRO A 35 -16.798 -3.801 -11.969 1.00 2.22 C ATOM 542 CD PRO A 35 -16.417 -2.448 -12.579 1.00 2.06 C ATOM 0 HA PRO A 35 -18.800 -1.619 -10.353 1.00 2.12 H new ATOM 0 HB2 PRO A 35 -17.731 -4.161 -10.048 1.00 2.27 H new ATOM 0 HB3 PRO A 35 -18.868 -3.808 -11.334 1.00 2.27 H new ATOM 0 HG2 PRO A 35 -15.931 -4.270 -11.504 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -17.154 -4.483 -12.741 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -15.346 -2.260 -12.505 1.00 2.06 H new ATOM 0 HD3 PRO A 35 -16.678 -2.395 -13.636 1.00 2.06 H new ATOM 550 N GLN A 36 -15.690 -1.770 -9.494 1.00 1.80 N ATOM 551 CA GLN A 36 -14.783 -1.563 -8.367 1.00 1.69 C ATOM 552 C GLN A 36 -13.501 -0.885 -8.835 1.00 1.54 C ATOM 553 O GLN A 36 -12.900 -1.282 -9.834 1.00 1.55 O ATOM 554 CB GLN A 36 -14.430 -2.900 -7.711 1.00 1.77 C ATOM 555 CG GLN A 36 -13.904 -3.867 -8.773 1.00 1.97 C ATOM 556 CD GLN A 36 -13.869 -5.281 -8.201 1.00 2.66 C ATOM 557 OE1 GLN A 36 -12.808 -5.780 -7.826 1.00 3.13 O ATOM 558 NE2 GLN A 36 -14.978 -5.963 -8.112 1.00 3.28 N ATOM 0 H GLN A 36 -15.230 -1.846 -10.401 1.00 1.80 H new ATOM 0 HA GLN A 36 -15.287 -0.926 -7.641 1.00 1.69 H new ATOM 0 HB2 GLN A 36 -13.678 -2.750 -6.937 1.00 1.77 H new ATOM 0 HB3 GLN A 36 -15.309 -3.321 -7.224 1.00 1.77 H new ATOM 0 HG2 GLN A 36 -14.542 -3.836 -9.656 1.00 1.97 H new ATOM 0 HG3 GLN A 36 -12.905 -3.567 -9.091 1.00 1.97 H new ATOM 0 HE21 GLN A 36 -15.857 -5.550 -8.423 1.00 3.28 H new ATOM 0 HE22 GLN A 36 -14.966 -6.909 -7.732 1.00 3.28 H new ATOM 567 N LYS A 37 -13.089 0.146 -8.103 1.00 1.47 N ATOM 568 CA LYS A 37 -11.875 0.879 -8.451 1.00 1.36 C ATOM 569 C LYS A 37 -10.648 -0.015 -8.306 1.00 1.24 C ATOM 570 O LYS A 37 -10.570 -0.846 -7.400 1.00 1.26 O ATOM 571 CB LYS A 37 -11.709 2.102 -7.547 1.00 1.41 C ATOM 572 CG LYS A 37 -11.759 1.664 -6.082 1.00 2.00 C ATOM 573 CD LYS A 37 -11.174 2.768 -5.198 1.00 2.27 C ATOM 574 CE LYS A 37 -10.939 2.223 -3.788 1.00 2.94 C ATOM 575 NZ LYS A 37 -10.451 3.321 -2.906 1.00 3.31 N ATOM 0 H LYS A 37 -13.572 0.491 -7.273 1.00 1.47 H new ATOM 0 HA LYS A 37 -11.967 1.203 -9.488 1.00 1.36 H new ATOM 0 HB2 LYS A 37 -10.761 2.597 -7.757 1.00 1.41 H new ATOM 0 HB3 LYS A 37 -12.498 2.826 -7.748 1.00 1.41 H new ATOM 0 HG2 LYS A 37 -12.788 1.456 -5.789 1.00 2.00 H new ATOM 0 HG3 LYS A 37 -11.196 0.740 -5.948 1.00 2.00 H new ATOM 0 HD2 LYS A 37 -10.236 3.128 -5.621 1.00 2.27 H new ATOM 0 HD3 LYS A 37 -11.855 3.618 -5.162 1.00 2.27 H new ATOM 0 HE2 LYS A 37 -11.863 1.805 -3.389 1.00 2.94 H new ATOM 0 HE3 LYS A 37 -10.210 1.413 -3.816 1.00 2.94 H new ATOM 0 HZ1 LYS A 37 -10.291 2.951 -1.947 1.00 3.31 H new ATOM 0 HZ2 LYS A 37 -9.559 3.700 -3.284 1.00 3.31 H new ATOM 0 HZ3 LYS A 37 -11.162 4.079 -2.870 1.00 3.31 H new ATOM 589 N ALA A 38 -9.690 0.167 -9.209 1.00 1.19 N ATOM 590 CA ALA A 38 -8.463 -0.625 -9.180 1.00 1.12 C ATOM 591 C ALA A 38 -7.285 0.208 -9.675 1.00 1.08 C ATOM 592 O ALA A 38 -7.429 1.392 -9.976 1.00 1.13 O ATOM 593 CB ALA A 38 -8.602 -1.867 -10.062 1.00 1.22 C ATOM 0 H ALA A 38 -9.737 0.850 -9.965 1.00 1.19 H new ATOM 0 HA ALA A 38 -8.286 -0.934 -8.150 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -7.678 -2.444 -10.027 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -9.426 -2.481 -9.699 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -8.801 -1.563 -11.090 1.00 1.22 H new ATOM 599 N VAL A 39 -6.117 -0.423 -9.756 1.00 1.06 N ATOM 600 CA VAL A 39 -4.920 0.274 -10.217 1.00 1.05 C ATOM 601 C VAL A 39 -4.171 -0.565 -11.248 1.00 1.10 C ATOM 602 O VAL A 39 -4.310 -1.786 -11.304 1.00 1.14 O ATOM 603 CB VAL A 39 -3.981 0.576 -9.042 1.00 0.95 C ATOM 604 CG1 VAL A 39 -2.796 1.419 -9.523 1.00 0.89 C ATOM 605 CG2 VAL A 39 -4.744 1.354 -7.971 1.00 0.98 C ATOM 0 H VAL A 39 -5.974 -1.403 -9.512 1.00 1.06 H new ATOM 0 HA VAL A 39 -5.239 1.210 -10.675 1.00 1.05 H new ATOM 0 HB VAL A 39 -3.613 -0.363 -8.629 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.134 1.629 -8.683 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -2.247 0.871 -10.289 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.162 2.357 -9.940 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -4.079 1.570 -7.135 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -5.111 2.289 -8.393 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -5.587 0.759 -7.620 1.00 0.98 H new ATOM 615 N ILE A 40 -3.366 0.118 -12.052 1.00 1.16 N ATOM 616 CA ILE A 40 -2.571 -0.547 -13.079 1.00 1.25 C ATOM 617 C ILE A 40 -1.148 -0.007 -13.051 1.00 1.21 C ATOM 618 O ILE A 40 -0.931 1.204 -13.028 1.00 1.20 O ATOM 619 CB ILE A 40 -3.170 -0.313 -14.467 1.00 1.40 C ATOM 620 CG1 ILE A 40 -4.651 -0.700 -14.457 1.00 1.45 C ATOM 621 CG2 ILE A 40 -2.429 -1.171 -15.495 1.00 1.53 C ATOM 622 CD1 ILE A 40 -5.298 -0.285 -15.779 1.00 1.73 C ATOM 0 H ILE A 40 -3.246 1.130 -12.014 1.00 1.16 H new ATOM 0 HA ILE A 40 -2.569 -1.617 -12.873 1.00 1.25 H new ATOM 0 HB ILE A 40 -3.070 0.740 -14.731 1.00 1.40 H new ATOM 0 HG12 ILE A 40 -4.755 -1.775 -14.311 1.00 1.45 H new ATOM 0 HG13 ILE A 40 -5.159 -0.214 -13.624 1.00 1.45 H new ATOM 0 HG21 ILE A 40 -2.856 -1.004 -16.484 1.00 1.53 H new ATOM 0 HG22 ILE A 40 -1.374 -0.897 -15.504 1.00 1.53 H new ATOM 0 HG23 ILE A 40 -2.528 -2.224 -15.230 1.00 1.53 H new ATOM 0 HD11 ILE A 40 -6.352 -0.561 -15.771 1.00 1.73 H new ATOM 0 HD12 ILE A 40 -5.206 0.794 -15.906 1.00 1.73 H new ATOM 0 HD13 ILE A 40 -4.797 -0.791 -16.604 1.00 1.73 H new ATOM 634 N PHE A 41 -0.176 -0.911 -13.035 1.00 1.24 N ATOM 635 CA PHE A 41 1.222 -0.498 -12.990 1.00 1.23 C ATOM 636 C PHE A 41 1.908 -0.744 -14.326 1.00 1.38 C ATOM 637 O PHE A 41 1.593 -1.694 -15.044 1.00 1.49 O ATOM 638 CB PHE A 41 1.970 -1.266 -11.901 1.00 1.17 C ATOM 639 CG PHE A 41 1.558 -0.737 -10.551 1.00 1.03 C ATOM 640 CD1 PHE A 41 1.800 0.602 -10.226 1.00 1.01 C ATOM 641 CD2 PHE A 41 0.935 -1.581 -9.625 1.00 0.96 C ATOM 642 CE1 PHE A 41 1.417 1.099 -8.976 1.00 0.93 C ATOM 643 CE2 PHE A 41 0.553 -1.084 -8.374 1.00 0.87 C ATOM 644 CZ PHE A 41 0.793 0.257 -8.049 1.00 0.85 C ATOM 0 H PHE A 41 -0.325 -1.920 -13.052 1.00 1.24 H new ATOM 0 HA PHE A 41 1.243 0.569 -12.769 1.00 1.23 H new ATOM 0 HB2 PHE A 41 1.747 -2.331 -11.971 1.00 1.17 H new ATOM 0 HB3 PHE A 41 3.046 -1.156 -12.035 1.00 1.17 H new ATOM 0 HD1 PHE A 41 2.283 1.252 -10.941 1.00 1.01 H new ATOM 0 HD2 PHE A 41 0.749 -2.615 -9.876 1.00 0.96 H new ATOM 0 HE1 PHE A 41 1.603 2.133 -8.726 1.00 0.93 H new ATOM 0 HE2 PHE A 41 0.073 -1.735 -7.658 1.00 0.87 H new ATOM 0 HZ PHE A 41 0.497 0.641 -7.084 1.00 0.85 H new ATOM 654 N LYS A 42 2.860 0.126 -14.643 1.00 1.40 N ATOM 655 CA LYS A 42 3.609 0.008 -15.889 1.00 1.55 C ATOM 656 C LYS A 42 5.103 0.041 -15.593 1.00 1.55 C ATOM 657 O LYS A 42 5.598 0.948 -14.923 1.00 1.50 O ATOM 658 CB LYS A 42 3.271 1.153 -16.850 1.00 1.64 C ATOM 659 CG LYS A 42 1.752 1.343 -16.928 1.00 2.00 C ATOM 660 CD LYS A 42 1.432 2.559 -17.799 1.00 2.06 C ATOM 661 CE LYS A 42 0.169 3.244 -17.276 1.00 2.75 C ATOM 662 NZ LYS A 42 0.130 4.652 -17.763 1.00 2.95 N ATOM 0 H LYS A 42 3.131 0.917 -14.058 1.00 1.40 H new ATOM 0 HA LYS A 42 3.335 -0.937 -16.358 1.00 1.55 H new ATOM 0 HB2 LYS A 42 3.744 2.075 -16.511 1.00 1.64 H new ATOM 0 HB3 LYS A 42 3.670 0.936 -17.841 1.00 1.64 H new ATOM 0 HG2 LYS A 42 1.285 0.451 -17.345 1.00 2.00 H new ATOM 0 HG3 LYS A 42 1.341 1.481 -15.928 1.00 2.00 H new ATOM 0 HD2 LYS A 42 2.268 3.258 -17.788 1.00 2.06 H new ATOM 0 HD3 LYS A 42 1.289 2.250 -18.834 1.00 2.06 H new ATOM 0 HE2 LYS A 42 -0.716 2.706 -17.615 1.00 2.75 H new ATOM 0 HE3 LYS A 42 0.156 3.224 -16.186 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 -0.729 5.119 -17.408 1.00 2.95 H new ATOM 0 HZ2 LYS A 42 0.969 5.162 -17.419 1.00 2.95 H new ATOM 0 HZ3 LYS A 42 0.123 4.660 -18.803 1.00 2.95 H new ATOM 676 N THR A 43 5.811 -0.959 -16.095 1.00 1.64 N ATOM 677 CA THR A 43 7.252 -1.043 -15.878 1.00 1.67 C ATOM 678 C THR A 43 7.994 -0.336 -17.012 1.00 1.80 C ATOM 679 O THR A 43 7.393 0.389 -17.804 1.00 1.84 O ATOM 680 CB THR A 43 7.702 -2.509 -15.812 1.00 1.74 C ATOM 681 OG1 THR A 43 7.601 -3.091 -17.104 1.00 1.89 O ATOM 682 CG2 THR A 43 6.815 -3.282 -14.833 1.00 1.67 C ATOM 0 H THR A 43 5.418 -1.719 -16.651 1.00 1.64 H new ATOM 0 HA THR A 43 7.485 -0.557 -14.931 1.00 1.67 H new ATOM 0 HB THR A 43 8.736 -2.553 -15.469 1.00 1.74 H new ATOM 0 HG1 THR A 43 7.889 -4.027 -17.065 1.00 1.89 H new ATOM 0 HG21 THR A 43 7.140 -4.322 -14.791 1.00 1.67 H new ATOM 0 HG22 THR A 43 6.894 -2.837 -13.841 1.00 1.67 H new ATOM 0 HG23 THR A 43 5.779 -3.239 -15.169 1.00 1.67 H new ATOM 690 N LYS A 44 9.306 -0.556 -17.085 1.00 1.88 N ATOM 691 CA LYS A 44 10.113 0.065 -18.132 1.00 2.01 C ATOM 692 C LYS A 44 10.331 -0.905 -19.293 1.00 2.17 C ATOM 693 O LYS A 44 11.338 -0.833 -19.997 1.00 2.32 O ATOM 694 CB LYS A 44 11.474 0.489 -17.578 1.00 2.03 C ATOM 695 CG LYS A 44 12.155 -0.715 -16.922 1.00 2.23 C ATOM 696 CD LYS A 44 13.669 -0.623 -17.131 1.00 2.47 C ATOM 697 CE LYS A 44 14.052 -1.333 -18.431 1.00 2.77 C ATOM 698 NZ LYS A 44 15.370 -2.008 -18.258 1.00 3.19 N ATOM 0 H LYS A 44 9.826 -1.151 -16.441 1.00 1.88 H new ATOM 0 HA LYS A 44 9.575 0.943 -18.490 1.00 2.01 H new ATOM 0 HB2 LYS A 44 12.099 0.881 -18.380 1.00 2.03 H new ATOM 0 HB3 LYS A 44 11.349 1.291 -16.850 1.00 2.03 H new ATOM 0 HG2 LYS A 44 11.925 -0.740 -15.857 1.00 2.23 H new ATOM 0 HG3 LYS A 44 11.774 -1.641 -17.352 1.00 2.23 H new ATOM 0 HD2 LYS A 44 13.978 0.422 -17.171 1.00 2.47 H new ATOM 0 HD3 LYS A 44 14.191 -1.078 -16.289 1.00 2.47 H new ATOM 0 HE2 LYS A 44 13.289 -2.064 -18.697 1.00 2.77 H new ATOM 0 HE3 LYS A 44 14.104 -0.614 -19.249 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 15.631 -2.491 -19.141 1.00 3.19 H new ATOM 0 HZ2 LYS A 44 16.095 -1.300 -18.023 1.00 3.19 H new ATOM 0 HZ3 LYS A 44 15.305 -2.705 -17.489 1.00 3.19 H new ATOM 712 N LEU A 45 9.375 -1.814 -19.487 1.00 2.17 N ATOM 713 CA LEU A 45 9.475 -2.791 -20.565 1.00 2.34 C ATOM 714 C LEU A 45 8.285 -2.671 -21.523 1.00 2.39 C ATOM 715 O LEU A 45 7.964 -3.612 -22.249 1.00 2.52 O ATOM 716 CB LEU A 45 9.501 -4.205 -19.985 1.00 2.37 C ATOM 717 CG LEU A 45 10.951 -4.646 -19.770 1.00 2.46 C ATOM 718 CD1 LEU A 45 10.998 -5.742 -18.705 1.00 2.44 C ATOM 719 CD2 LEU A 45 11.516 -5.188 -21.084 1.00 2.68 C ATOM 0 H LEU A 45 8.532 -1.892 -18.917 1.00 2.17 H new ATOM 0 HA LEU A 45 10.396 -2.594 -21.114 1.00 2.34 H new ATOM 0 HB2 LEU A 45 8.959 -4.231 -19.040 1.00 2.37 H new ATOM 0 HB3 LEU A 45 8.997 -4.895 -20.661 1.00 2.37 H new ATOM 0 HG LEU A 45 11.546 -3.794 -19.440 1.00 2.46 H new ATOM 0 HD11 LEU A 45 12.030 -6.056 -18.552 1.00 2.44 H new ATOM 0 HD12 LEU A 45 10.593 -5.357 -17.769 1.00 2.44 H new ATOM 0 HD13 LEU A 45 10.404 -6.595 -19.034 1.00 2.44 H new ATOM 0 HD21 LEU A 45 12.549 -5.503 -20.934 1.00 2.68 H new ATOM 0 HD22 LEU A 45 10.921 -6.040 -21.412 1.00 2.68 H new ATOM 0 HD23 LEU A 45 11.482 -4.408 -21.844 1.00 2.68 H new ATOM 731 N ALA A 46 7.635 -1.507 -21.519 1.00 2.31 N ATOM 732 CA ALA A 46 6.485 -1.283 -22.394 1.00 2.37 C ATOM 733 C ALA A 46 5.370 -2.278 -22.080 1.00 2.36 C ATOM 734 O ALA A 46 4.659 -2.740 -22.973 1.00 2.48 O ATOM 735 CB ALA A 46 6.892 -1.431 -23.863 1.00 2.57 C ATOM 0 H ALA A 46 7.881 -0.714 -20.927 1.00 2.31 H new ATOM 0 HA ALA A 46 6.123 -0.270 -22.220 1.00 2.37 H new ATOM 0 HB1 ALA A 46 6.024 -1.261 -24.500 1.00 2.57 H new ATOM 0 HB2 ALA A 46 7.666 -0.701 -24.102 1.00 2.57 H new ATOM 0 HB3 ALA A 46 7.277 -2.436 -24.034 1.00 2.57 H new ATOM 741 N LYS A 47 5.224 -2.602 -20.798 1.00 2.22 N ATOM 742 CA LYS A 47 4.191 -3.543 -20.374 1.00 2.20 C ATOM 743 C LYS A 47 3.395 -2.973 -19.205 1.00 2.02 C ATOM 744 O LYS A 47 3.900 -2.165 -18.425 1.00 1.89 O ATOM 745 CB LYS A 47 4.819 -4.872 -19.947 1.00 2.26 C ATOM 746 CG LYS A 47 3.719 -5.912 -19.731 1.00 2.67 C ATOM 747 CD LYS A 47 4.351 -7.291 -19.536 1.00 2.87 C ATOM 748 CE LYS A 47 4.567 -7.548 -18.043 1.00 3.20 C ATOM 749 NZ LYS A 47 4.679 -9.014 -17.803 1.00 3.49 N ATOM 0 H LYS A 47 5.800 -2.232 -20.042 1.00 2.22 H new ATOM 0 HA LYS A 47 3.524 -3.711 -21.220 1.00 2.20 H new ATOM 0 HB2 LYS A 47 5.516 -5.218 -20.710 1.00 2.26 H new ATOM 0 HB3 LYS A 47 5.392 -4.737 -19.029 1.00 2.26 H new ATOM 0 HG2 LYS A 47 3.121 -5.648 -18.859 1.00 2.67 H new ATOM 0 HG3 LYS A 47 3.045 -5.927 -20.587 1.00 2.67 H new ATOM 0 HD2 LYS A 47 3.706 -8.061 -19.959 1.00 2.87 H new ATOM 0 HD3 LYS A 47 5.302 -7.345 -20.066 1.00 2.87 H new ATOM 0 HE2 LYS A 47 5.471 -7.043 -17.703 1.00 3.20 H new ATOM 0 HE3 LYS A 47 3.737 -7.137 -17.468 1.00 3.20 H new ATOM 0 HZ1 LYS A 47 4.826 -9.189 -16.788 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 3.805 -9.484 -18.113 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 5.485 -9.393 -18.340 1.00 3.49 H new ATOM 763 N ASP A 48 2.141 -3.404 -19.092 1.00 2.03 N ATOM 764 CA ASP A 48 1.275 -2.933 -18.012 1.00 1.88 C ATOM 765 C ASP A 48 0.740 -4.115 -17.211 1.00 1.86 C ATOM 766 O ASP A 48 0.619 -5.228 -17.724 1.00 2.00 O ATOM 767 CB ASP A 48 0.093 -2.135 -18.571 1.00 1.92 C ATOM 768 CG ASP A 48 0.599 -1.069 -19.540 1.00 1.98 C ATOM 769 OD1 ASP A 48 1.685 -0.561 -19.318 1.00 2.28 O ATOM 770 OD2 ASP A 48 -0.110 -0.776 -20.489 1.00 2.27 O ATOM 0 H ASP A 48 1.704 -4.072 -19.727 1.00 2.03 H new ATOM 0 HA ASP A 48 1.869 -2.288 -17.365 1.00 1.88 H new ATOM 0 HB2 ASP A 48 -0.600 -2.804 -19.082 1.00 1.92 H new ATOM 0 HB3 ASP A 48 -0.459 -1.666 -17.756 1.00 1.92 H new ATOM 775 N ILE A 49 0.421 -3.862 -15.944 1.00 1.70 N ATOM 776 CA ILE A 49 -0.103 -4.914 -15.076 1.00 1.69 C ATOM 777 C ILE A 49 -1.212 -4.365 -14.186 1.00 1.56 C ATOM 778 O ILE A 49 -1.314 -3.158 -13.966 1.00 1.46 O ATOM 779 CB ILE A 49 1.010 -5.486 -14.193 1.00 1.66 C ATOM 780 CG1 ILE A 49 2.193 -5.904 -15.070 1.00 1.80 C ATOM 781 CG2 ILE A 49 0.487 -6.708 -13.432 1.00 1.71 C ATOM 782 CD1 ILE A 49 3.356 -6.343 -14.180 1.00 2.11 C ATOM 0 H ILE A 49 0.514 -2.949 -15.499 1.00 1.70 H new ATOM 0 HA ILE A 49 -0.504 -5.705 -15.710 1.00 1.69 H new ATOM 0 HB ILE A 49 1.332 -4.726 -13.482 1.00 1.66 H new ATOM 0 HG12 ILE A 49 1.899 -6.719 -15.731 1.00 1.80 H new ATOM 0 HG13 ILE A 49 2.500 -5.073 -15.705 1.00 1.80 H new ATOM 0 HG21 ILE A 49 1.281 -7.113 -12.805 1.00 1.71 H new ATOM 0 HG22 ILE A 49 -0.356 -6.414 -12.806 1.00 1.71 H new ATOM 0 HG23 ILE A 49 0.163 -7.468 -14.143 1.00 1.71 H new ATOM 0 HD11 ILE A 49 4.199 -6.641 -14.803 1.00 2.11 H new ATOM 0 HD12 ILE A 49 3.655 -5.515 -13.537 1.00 2.11 H new ATOM 0 HD13 ILE A 49 3.044 -7.187 -13.564 1.00 2.11 H new ATOM 794 N CYS A 50 -2.042 -5.269 -13.674 1.00 1.60 N ATOM 795 CA CYS A 50 -3.144 -4.871 -12.804 1.00 1.51 C ATOM 796 C CYS A 50 -2.727 -4.970 -11.342 1.00 1.38 C ATOM 797 O CYS A 50 -1.936 -5.835 -10.964 1.00 1.44 O ATOM 798 CB CYS A 50 -4.362 -5.768 -13.036 1.00 1.63 C ATOM 799 SG CYS A 50 -5.074 -5.412 -14.661 1.00 1.82 S ATOM 0 H CYS A 50 -1.974 -6.272 -13.844 1.00 1.60 H new ATOM 0 HA CYS A 50 -3.404 -3.839 -13.041 1.00 1.51 H new ATOM 0 HB2 CYS A 50 -4.071 -6.817 -12.977 1.00 1.63 H new ATOM 0 HB3 CYS A 50 -5.105 -5.599 -12.257 1.00 1.63 H new ATOM 804 N ALA A 51 -3.264 -4.073 -10.522 1.00 1.23 N ATOM 805 CA ALA A 51 -2.937 -4.066 -9.098 1.00 1.13 C ATOM 806 C ALA A 51 -4.036 -3.374 -8.297 1.00 1.06 C ATOM 807 O ALA A 51 -4.600 -2.368 -8.728 1.00 1.05 O ATOM 808 CB ALA A 51 -1.615 -3.334 -8.860 1.00 1.03 C ATOM 0 H ALA A 51 -3.920 -3.348 -10.813 1.00 1.23 H new ATOM 0 HA ALA A 51 -2.848 -5.102 -8.770 1.00 1.13 H new ATOM 0 HB1 ALA A 51 -1.384 -3.337 -7.795 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -0.817 -3.838 -9.405 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -1.701 -2.305 -9.210 1.00 1.03 H new ATOM 814 N ASP A 52 -4.331 -3.925 -7.123 1.00 1.07 N ATOM 815 CA ASP A 52 -5.361 -3.356 -6.258 1.00 1.06 C ATOM 816 C ASP A 52 -4.709 -2.521 -5.148 1.00 0.96 C ATOM 817 O ASP A 52 -3.532 -2.708 -4.843 1.00 0.93 O ATOM 818 CB ASP A 52 -6.208 -4.474 -5.630 1.00 1.20 C ATOM 819 CG ASP A 52 -7.690 -4.222 -5.901 1.00 1.59 C ATOM 820 OD1 ASP A 52 -8.000 -3.733 -6.975 1.00 2.15 O ATOM 821 OD2 ASP A 52 -8.491 -4.520 -5.031 1.00 2.22 O ATOM 0 H ASP A 52 -3.876 -4.758 -6.750 1.00 1.07 H new ATOM 0 HA ASP A 52 -6.007 -2.717 -6.860 1.00 1.06 H new ATOM 0 HB2 ASP A 52 -5.914 -5.439 -6.042 1.00 1.20 H new ATOM 0 HB3 ASP A 52 -6.029 -4.518 -4.556 1.00 1.20 H new ATOM 826 N PRO A 53 -5.456 -1.591 -4.529 1.00 0.98 N ATOM 827 CA PRO A 53 -4.908 -0.741 -3.453 1.00 1.00 C ATOM 828 C PRO A 53 -4.866 -1.429 -2.083 1.00 1.09 C ATOM 829 O PRO A 53 -4.557 -0.795 -1.075 1.00 1.21 O ATOM 830 CB PRO A 53 -5.880 0.431 -3.438 1.00 1.10 C ATOM 831 CG PRO A 53 -7.193 -0.068 -4.032 1.00 1.13 C ATOM 832 CD PRO A 53 -6.878 -1.324 -4.850 1.00 1.07 C ATOM 0 HA PRO A 53 -3.868 -0.471 -3.638 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -6.030 0.794 -2.421 1.00 1.10 H new ATOM 0 HB3 PRO A 53 -5.487 1.265 -4.019 1.00 1.10 H new ATOM 0 HG2 PRO A 53 -7.910 -0.294 -3.243 1.00 1.13 H new ATOM 0 HG3 PRO A 53 -7.644 0.698 -4.663 1.00 1.13 H new ATOM 0 HD2 PRO A 53 -7.518 -2.160 -4.567 1.00 1.07 H new ATOM 0 HD3 PRO A 53 -7.025 -1.157 -5.917 1.00 1.07 H new ATOM 840 N LYS A 54 -5.175 -2.725 -2.050 1.00 1.09 N ATOM 841 CA LYS A 54 -5.158 -3.463 -0.789 1.00 1.23 C ATOM 842 C LYS A 54 -3.894 -4.320 -0.657 1.00 1.25 C ATOM 843 O LYS A 54 -3.794 -5.152 0.245 1.00 1.42 O ATOM 844 CB LYS A 54 -6.383 -4.374 -0.692 1.00 1.34 C ATOM 845 CG LYS A 54 -7.584 -3.566 -0.198 1.00 1.87 C ATOM 846 CD LYS A 54 -8.846 -4.427 -0.277 1.00 2.30 C ATOM 847 CE LYS A 54 -8.815 -5.484 0.829 1.00 2.83 C ATOM 848 NZ LYS A 54 -9.561 -4.982 2.018 1.00 3.39 N ATOM 0 H LYS A 54 -5.436 -3.277 -2.867 1.00 1.09 H new ATOM 0 HA LYS A 54 -5.172 -2.729 0.017 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.602 -4.811 -1.666 1.00 1.34 H new ATOM 0 HB3 LYS A 54 -6.182 -5.200 -0.010 1.00 1.34 H new ATOM 0 HG2 LYS A 54 -7.418 -3.239 0.828 1.00 1.87 H new ATOM 0 HG3 LYS A 54 -7.705 -2.668 -0.803 1.00 1.87 H new ATOM 0 HD2 LYS A 54 -9.733 -3.802 -0.172 1.00 2.30 H new ATOM 0 HD3 LYS A 54 -8.910 -4.909 -1.253 1.00 2.30 H new ATOM 0 HE2 LYS A 54 -9.261 -6.412 0.472 1.00 2.83 H new ATOM 0 HE3 LYS A 54 -7.784 -5.710 1.102 1.00 2.83 H new ATOM 0 HZ1 LYS A 54 -9.540 -5.700 2.770 1.00 3.39 H new ATOM 0 HZ2 LYS A 54 -9.117 -4.107 2.363 1.00 3.39 H new ATOM 0 HZ3 LYS A 54 -10.548 -4.788 1.752 1.00 3.39 H new ATOM 862 N LYS A 55 -2.926 -4.118 -1.555 1.00 1.14 N ATOM 863 CA LYS A 55 -1.687 -4.889 -1.503 1.00 1.19 C ATOM 864 C LYS A 55 -0.575 -4.068 -0.857 1.00 1.18 C ATOM 865 O LYS A 55 -0.630 -2.838 -0.823 1.00 1.12 O ATOM 866 CB LYS A 55 -1.255 -5.306 -2.915 1.00 1.15 C ATOM 867 CG LYS A 55 -1.723 -6.736 -3.195 1.00 1.31 C ATOM 868 CD LYS A 55 -3.204 -6.725 -3.579 1.00 1.80 C ATOM 869 CE LYS A 55 -3.337 -6.692 -5.103 1.00 2.02 C ATOM 870 NZ LYS A 55 -3.019 -8.038 -5.657 1.00 2.31 N ATOM 0 H LYS A 55 -2.976 -3.438 -2.314 1.00 1.14 H new ATOM 0 HA LYS A 55 -1.869 -5.782 -0.905 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -1.678 -4.623 -3.652 1.00 1.15 H new ATOM 0 HB3 LYS A 55 -0.171 -5.243 -3.008 1.00 1.15 H new ATOM 0 HG2 LYS A 55 -1.131 -7.172 -4.000 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -1.570 -7.359 -2.314 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -3.701 -7.609 -3.179 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -3.697 -5.857 -3.142 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -4.349 -6.401 -5.384 1.00 2.02 H new ATOM 0 HE3 LYS A 55 -2.662 -5.946 -5.522 1.00 2.02 H new ATOM 0 HZ1 LYS A 55 -2.464 -7.932 -6.530 1.00 2.31 H new ATOM 0 HZ2 LYS A 55 -2.468 -8.579 -4.960 1.00 2.31 H new ATOM 0 HZ3 LYS A 55 -3.903 -8.544 -5.868 1.00 2.31 H new ATOM 884 N LYS A 56 0.435 -4.763 -0.343 1.00 1.29 N ATOM 885 CA LYS A 56 1.558 -4.095 0.305 1.00 1.34 C ATOM 886 C LYS A 56 2.487 -3.474 -0.731 1.00 1.24 C ATOM 887 O LYS A 56 2.878 -2.313 -0.619 1.00 1.23 O ATOM 888 CB LYS A 56 2.353 -5.085 1.158 1.00 1.51 C ATOM 889 CG LYS A 56 1.407 -5.797 2.129 1.00 2.15 C ATOM 890 CD LYS A 56 2.084 -7.055 2.673 1.00 2.42 C ATOM 891 CE LYS A 56 1.045 -7.932 3.375 1.00 3.16 C ATOM 892 NZ LYS A 56 1.464 -9.360 3.295 1.00 3.69 N ATOM 0 H LYS A 56 0.499 -5.781 -0.362 1.00 1.29 H new ATOM 0 HA LYS A 56 1.153 -3.309 0.943 1.00 1.34 H new ATOM 0 HB2 LYS A 56 2.851 -5.814 0.519 1.00 1.51 H new ATOM 0 HB3 LYS A 56 3.132 -4.561 1.711 1.00 1.51 H new ATOM 0 HG2 LYS A 56 1.142 -5.130 2.950 1.00 2.15 H new ATOM 0 HG3 LYS A 56 0.479 -6.061 1.621 1.00 2.15 H new ATOM 0 HD2 LYS A 56 2.553 -7.609 1.860 1.00 2.42 H new ATOM 0 HD3 LYS A 56 2.876 -6.782 3.371 1.00 2.42 H new ATOM 0 HE2 LYS A 56 0.943 -7.630 4.417 1.00 3.16 H new ATOM 0 HE3 LYS A 56 0.069 -7.802 2.908 1.00 3.16 H new ATOM 0 HZ1 LYS A 56 0.758 -9.956 3.772 1.00 3.69 H new ATOM 0 HZ2 LYS A 56 1.540 -9.644 2.297 1.00 3.69 H new ATOM 0 HZ3 LYS A 56 2.387 -9.478 3.760 1.00 3.69 H new ATOM 906 N TRP A 57 2.837 -4.262 -1.742 1.00 1.22 N ATOM 907 CA TRP A 57 3.723 -3.775 -2.793 1.00 1.16 C ATOM 908 C TRP A 57 3.014 -2.723 -3.642 1.00 1.02 C ATOM 909 O TRP A 57 3.650 -1.824 -4.193 1.00 0.98 O ATOM 910 CB TRP A 57 4.215 -4.924 -3.685 1.00 1.22 C ATOM 911 CG TRP A 57 3.060 -5.622 -4.334 1.00 1.22 C ATOM 912 CD1 TRP A 57 2.353 -6.634 -3.783 1.00 1.32 C ATOM 913 CD2 TRP A 57 2.482 -5.389 -5.652 1.00 1.16 C ATOM 914 NE1 TRP A 57 1.374 -7.034 -4.675 1.00 1.33 N ATOM 915 CE2 TRP A 57 1.413 -6.296 -5.841 1.00 1.24 C ATOM 916 CE3 TRP A 57 2.776 -4.486 -6.689 1.00 1.09 C ATOM 917 CZ2 TRP A 57 0.663 -6.308 -7.018 1.00 1.26 C ATOM 918 CZ3 TRP A 57 2.024 -4.495 -7.875 1.00 1.11 C ATOM 919 CH2 TRP A 57 0.970 -5.405 -8.039 1.00 1.20 C ATOM 0 H TRP A 57 2.526 -5.227 -1.856 1.00 1.22 H new ATOM 0 HA TRP A 57 4.590 -3.322 -2.313 1.00 1.16 H new ATOM 0 HB2 TRP A 57 4.888 -4.535 -4.450 1.00 1.22 H new ATOM 0 HB3 TRP A 57 4.787 -5.635 -3.089 1.00 1.22 H new ATOM 0 HD1 TRP A 57 2.524 -7.061 -2.806 1.00 1.32 H new ATOM 0 HE1 TRP A 57 0.705 -7.783 -4.493 1.00 1.33 H new ATOM 0 HE3 TRP A 57 3.586 -3.781 -6.573 1.00 1.09 H new ATOM 0 HZ2 TRP A 57 -0.149 -7.010 -7.139 1.00 1.26 H new ATOM 0 HZ3 TRP A 57 2.259 -3.797 -8.665 1.00 1.11 H new ATOM 0 HH2 TRP A 57 0.396 -5.408 -8.954 1.00 1.20 H new ATOM 930 N VAL A 58 1.689 -2.827 -3.723 1.00 0.97 N ATOM 931 CA VAL A 58 0.913 -1.858 -4.489 1.00 0.87 C ATOM 932 C VAL A 58 0.819 -0.558 -3.702 1.00 0.89 C ATOM 933 O VAL A 58 0.880 0.535 -4.266 1.00 0.88 O ATOM 934 CB VAL A 58 -0.502 -2.385 -4.772 1.00 0.86 C ATOM 935 CG1 VAL A 58 -1.284 -1.354 -5.598 1.00 0.81 C ATOM 936 CG2 VAL A 58 -0.410 -3.697 -5.553 1.00 0.93 C ATOM 0 H VAL A 58 1.139 -3.560 -3.275 1.00 0.97 H new ATOM 0 HA VAL A 58 1.414 -1.687 -5.442 1.00 0.87 H new ATOM 0 HB VAL A 58 -1.018 -2.557 -3.827 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -2.287 -1.732 -5.796 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -1.352 -0.419 -5.042 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.769 -1.178 -6.543 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.414 -4.072 -5.754 1.00 0.93 H new ATOM 0 HG22 VAL A 58 0.108 -3.524 -6.496 1.00 0.93 H new ATOM 0 HG23 VAL A 58 0.141 -4.432 -4.966 1.00 0.93 H new ATOM 946 N GLN A 59 0.676 -0.691 -2.387 1.00 0.99 N ATOM 947 CA GLN A 59 0.582 0.480 -1.526 1.00 1.08 C ATOM 948 C GLN A 59 1.892 1.249 -1.570 1.00 1.13 C ATOM 949 O GLN A 59 1.914 2.467 -1.747 1.00 1.21 O ATOM 950 CB GLN A 59 0.284 0.071 -0.082 1.00 1.22 C ATOM 951 CG GLN A 59 -0.227 1.284 0.698 1.00 1.67 C ATOM 952 CD GLN A 59 -1.744 1.367 0.575 1.00 2.01 C ATOM 953 OE1 GLN A 59 -2.445 0.375 0.777 1.00 2.67 O ATOM 954 NE2 GLN A 59 -2.299 2.502 0.251 1.00 2.31 N ATOM 0 H GLN A 59 0.623 -1.586 -1.900 1.00 0.99 H new ATOM 0 HA GLN A 59 -0.232 1.109 -1.886 1.00 1.08 H new ATOM 0 HB2 GLN A 59 -0.460 -0.725 -0.065 1.00 1.22 H new ATOM 0 HB3 GLN A 59 1.185 -0.324 0.388 1.00 1.22 H new ATOM 0 HG2 GLN A 59 0.059 1.202 1.747 1.00 1.67 H new ATOM 0 HG3 GLN A 59 0.230 2.196 0.313 1.00 1.67 H new ATOM 0 HE21 GLN A 59 -1.719 3.324 0.084 1.00 2.31 H new ATOM 0 HE22 GLN A 59 -3.313 2.568 0.165 1.00 2.31 H new ATOM 963 N ASP A 60 2.987 0.513 -1.429 1.00 1.13 N ATOM 964 CA ASP A 60 4.307 1.124 -1.476 1.00 1.20 C ATOM 965 C ASP A 60 4.568 1.653 -2.881 1.00 1.12 C ATOM 966 O ASP A 60 5.199 2.694 -3.066 1.00 1.20 O ATOM 967 CB ASP A 60 5.388 0.103 -1.108 1.00 1.26 C ATOM 968 CG ASP A 60 6.490 0.788 -0.304 1.00 1.41 C ATOM 969 OD1 ASP A 60 6.185 1.309 0.755 1.00 1.87 O ATOM 970 OD2 ASP A 60 7.621 0.780 -0.761 1.00 1.75 O ATOM 0 H ASP A 60 2.988 -0.496 -1.283 1.00 1.13 H new ATOM 0 HA ASP A 60 4.340 1.942 -0.757 1.00 1.20 H new ATOM 0 HB2 ASP A 60 4.952 -0.709 -0.527 1.00 1.26 H new ATOM 0 HB3 ASP A 60 5.806 -0.340 -2.012 1.00 1.26 H new ATOM 975 N SER A 61 4.063 0.918 -3.869 1.00 1.01 N ATOM 976 CA SER A 61 4.230 1.310 -5.262 1.00 0.96 C ATOM 977 C SER A 61 3.485 2.611 -5.533 1.00 0.98 C ATOM 978 O SER A 61 4.045 3.561 -6.079 1.00 1.05 O ATOM 979 CB SER A 61 3.694 0.221 -6.194 1.00 0.90 C ATOM 980 OG SER A 61 4.747 -0.674 -6.524 1.00 0.96 O ATOM 0 H SER A 61 3.539 0.054 -3.730 1.00 1.01 H new ATOM 0 HA SER A 61 5.294 1.451 -5.451 1.00 0.96 H new ATOM 0 HB2 SER A 61 2.880 -0.319 -5.711 1.00 0.90 H new ATOM 0 HB3 SER A 61 3.285 0.670 -7.099 1.00 0.90 H new ATOM 0 HG SER A 61 4.769 -1.407 -5.874 1.00 0.96 H new ATOM 986 N MET A 62 2.216 2.645 -5.140 1.00 0.97 N ATOM 987 CA MET A 62 1.403 3.840 -5.342 1.00 1.03 C ATOM 988 C MET A 62 1.977 5.007 -4.551 1.00 1.17 C ATOM 989 O MET A 62 2.043 6.133 -5.041 1.00 1.25 O ATOM 990 CB MET A 62 -0.040 3.592 -4.899 1.00 1.03 C ATOM 991 CG MET A 62 -0.984 4.484 -5.708 1.00 1.58 C ATOM 992 SD MET A 62 -2.697 3.993 -5.392 1.00 1.92 S ATOM 993 CE MET A 62 -2.919 4.924 -3.856 1.00 1.85 C ATOM 0 H MET A 62 1.733 1.870 -4.686 1.00 0.97 H new ATOM 0 HA MET A 62 1.413 4.080 -6.405 1.00 1.03 H new ATOM 0 HB2 MET A 62 -0.301 2.544 -5.043 1.00 1.03 H new ATOM 0 HB3 MET A 62 -0.146 3.803 -3.835 1.00 1.03 H new ATOM 0 HG2 MET A 62 -0.838 5.529 -5.434 1.00 1.58 H new ATOM 0 HG3 MET A 62 -0.760 4.398 -6.771 1.00 1.58 H new ATOM 0 HE1 MET A 62 -3.944 4.807 -3.504 1.00 1.85 H new ATOM 0 HE2 MET A 62 -2.230 4.547 -3.100 1.00 1.85 H new ATOM 0 HE3 MET A 62 -2.716 5.979 -4.038 1.00 1.85 H new ATOM 1003 N LYS A 63 2.399 4.726 -3.322 1.00 1.24 N ATOM 1004 CA LYS A 63 2.978 5.762 -2.475 1.00 1.40 C ATOM 1005 C LYS A 63 4.311 6.216 -3.054 1.00 1.44 C ATOM 1006 O LYS A 63 4.630 7.405 -3.072 1.00 1.58 O ATOM 1007 CB LYS A 63 3.198 5.238 -1.055 1.00 1.47 C ATOM 1008 CG LYS A 63 3.285 6.416 -0.083 1.00 1.72 C ATOM 1009 CD LYS A 63 2.890 5.951 1.320 1.00 1.92 C ATOM 1010 CE LYS A 63 2.222 7.105 2.071 1.00 2.24 C ATOM 1011 NZ LYS A 63 1.268 6.557 3.076 1.00 2.73 N ATOM 0 H LYS A 63 2.352 3.801 -2.895 1.00 1.24 H new ATOM 0 HA LYS A 63 2.285 6.603 -2.439 1.00 1.40 H new ATOM 0 HB2 LYS A 63 2.380 4.577 -0.769 1.00 1.47 H new ATOM 0 HB3 LYS A 63 4.114 4.649 -1.011 1.00 1.47 H new ATOM 0 HG2 LYS A 63 4.298 6.818 -0.072 1.00 1.72 H new ATOM 0 HG3 LYS A 63 2.626 7.220 -0.410 1.00 1.72 H new ATOM 0 HD2 LYS A 63 2.209 5.103 1.255 1.00 1.92 H new ATOM 0 HD3 LYS A 63 3.771 5.611 1.864 1.00 1.92 H new ATOM 0 HE2 LYS A 63 2.977 7.716 2.566 1.00 2.24 H new ATOM 0 HE3 LYS A 63 1.696 7.753 1.370 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 0.814 7.341 3.587 1.00 2.73 H new ATOM 0 HZ2 LYS A 63 0.541 5.991 2.593 1.00 2.73 H new ATOM 0 HZ3 LYS A 63 1.782 5.956 3.751 1.00 2.73 H new ATOM 1025 N TYR A 64 5.078 5.247 -3.538 1.00 1.34 N ATOM 1026 CA TYR A 64 6.376 5.534 -4.134 1.00 1.39 C ATOM 1027 C TYR A 64 6.182 6.364 -5.403 1.00 1.43 C ATOM 1028 O TYR A 64 6.830 7.393 -5.596 1.00 1.56 O ATOM 1029 CB TYR A 64 7.100 4.210 -4.459 1.00 1.30 C ATOM 1030 CG TYR A 64 8.347 4.452 -5.287 1.00 1.35 C ATOM 1031 CD1 TYR A 64 9.466 5.072 -4.717 1.00 1.43 C ATOM 1032 CD2 TYR A 64 8.375 4.054 -6.629 1.00 1.54 C ATOM 1033 CE1 TYR A 64 10.612 5.292 -5.491 1.00 1.50 C ATOM 1034 CE2 TYR A 64 9.518 4.272 -7.401 1.00 1.59 C ATOM 1035 CZ TYR A 64 10.639 4.892 -6.834 1.00 1.48 C ATOM 1036 OH TYR A 64 11.768 5.108 -7.596 1.00 1.57 O ATOM 0 H TYR A 64 4.825 4.259 -3.530 1.00 1.34 H new ATOM 0 HA TYR A 64 6.986 6.103 -3.432 1.00 1.39 H new ATOM 0 HB2 TYR A 64 7.369 3.703 -3.532 1.00 1.30 H new ATOM 0 HB3 TYR A 64 6.425 3.547 -5.000 1.00 1.30 H new ATOM 0 HD1 TYR A 64 9.445 5.380 -3.682 1.00 1.43 H new ATOM 0 HD2 TYR A 64 7.511 3.577 -7.068 1.00 1.54 H new ATOM 0 HE1 TYR A 64 11.476 5.770 -5.053 1.00 1.50 H new ATOM 0 HE2 TYR A 64 9.538 3.963 -8.436 1.00 1.59 H new ATOM 0 HH TYR A 64 11.620 4.770 -8.504 1.00 1.57 H new ATOM 1046 N LEU A 65 5.284 5.901 -6.259 1.00 1.34 N ATOM 1047 CA LEU A 65 5.006 6.601 -7.504 1.00 1.41 C ATOM 1048 C LEU A 65 4.358 7.946 -7.211 1.00 1.53 C ATOM 1049 O LEU A 65 4.674 8.957 -7.836 1.00 1.67 O ATOM 1050 CB LEU A 65 4.076 5.769 -8.383 1.00 1.32 C ATOM 1051 CG LEU A 65 4.851 4.579 -8.946 1.00 1.27 C ATOM 1052 CD1 LEU A 65 3.896 3.644 -9.687 1.00 1.21 C ATOM 1053 CD2 LEU A 65 5.921 5.088 -9.912 1.00 1.41 C ATOM 0 H LEU A 65 4.739 5.051 -6.117 1.00 1.34 H new ATOM 0 HA LEU A 65 5.947 6.759 -8.031 1.00 1.41 H new ATOM 0 HB2 LEU A 65 3.222 5.421 -7.802 1.00 1.32 H new ATOM 0 HB3 LEU A 65 3.681 6.379 -9.196 1.00 1.32 H new ATOM 0 HG LEU A 65 5.323 4.033 -8.129 1.00 1.27 H new ATOM 0 HD11 LEU A 65 4.453 2.797 -10.087 1.00 1.21 H new ATOM 0 HD12 LEU A 65 3.132 3.283 -8.998 1.00 1.21 H new ATOM 0 HD13 LEU A 65 3.420 4.184 -10.506 1.00 1.21 H new ATOM 0 HD21 LEU A 65 6.477 4.243 -10.317 1.00 1.41 H new ATOM 0 HD22 LEU A 65 5.445 5.633 -10.727 1.00 1.41 H new ATOM 0 HD23 LEU A 65 6.604 5.751 -9.382 1.00 1.41 H new ATOM 1065 N ASP A 66 3.455 7.940 -6.239 1.00 1.50 N ATOM 1066 CA ASP A 66 2.761 9.164 -5.843 1.00 1.63 C ATOM 1067 C ASP A 66 3.765 10.207 -5.364 1.00 1.79 C ATOM 1068 O ASP A 66 3.586 11.406 -5.574 1.00 1.95 O ATOM 1069 CB ASP A 66 1.767 8.880 -4.714 1.00 1.59 C ATOM 1070 CG ASP A 66 0.454 8.373 -5.303 1.00 1.51 C ATOM 1071 OD1 ASP A 66 0.508 7.650 -6.283 1.00 1.79 O ATOM 1072 OD2 ASP A 66 -0.585 8.716 -4.764 1.00 1.88 O ATOM 0 H ASP A 66 3.186 7.109 -5.712 1.00 1.50 H new ATOM 0 HA ASP A 66 2.222 9.541 -6.712 1.00 1.63 H new ATOM 0 HB2 ASP A 66 2.180 8.139 -4.030 1.00 1.59 H new ATOM 0 HB3 ASP A 66 1.591 9.786 -4.134 1.00 1.59 H new ATOM 1077 N GLN A 67 4.829 9.731 -4.719 1.00 1.77 N ATOM 1078 CA GLN A 67 5.863 10.628 -4.215 1.00 1.93 C ATOM 1079 C GLN A 67 6.533 11.364 -5.368 1.00 1.94 C ATOM 1080 O GLN A 67 6.594 12.594 -5.391 1.00 1.94 O ATOM 1081 CB GLN A 67 6.922 9.843 -3.439 1.00 1.99 C ATOM 1082 CG GLN A 67 7.472 10.708 -2.303 1.00 2.39 C ATOM 1083 CD GLN A 67 6.582 10.559 -1.074 1.00 2.65 C ATOM 1084 OE1 GLN A 67 5.709 11.393 -0.827 1.00 3.11 O ATOM 1085 NE2 GLN A 67 6.752 9.537 -0.281 1.00 3.00 N ATOM 0 H GLN A 67 4.995 8.742 -4.536 1.00 1.77 H new ATOM 0 HA GLN A 67 5.389 11.349 -3.549 1.00 1.93 H new ATOM 0 HB2 GLN A 67 6.488 8.928 -3.036 1.00 1.99 H new ATOM 0 HB3 GLN A 67 7.730 9.545 -4.107 1.00 1.99 H new ATOM 0 HG2 GLN A 67 8.493 10.408 -2.065 1.00 2.39 H new ATOM 0 HG3 GLN A 67 7.511 11.752 -2.613 1.00 2.39 H new ATOM 0 HE21 GLN A 67 7.475 8.847 -0.486 1.00 3.00 H new ATOM 0 HE22 GLN A 67 6.162 9.428 0.544 1.00 3.00 H new ATOM 1094 N LYS A 68 7.036 10.592 -6.327 1.00 2.05 N ATOM 1095 CA LYS A 68 7.706 11.167 -7.489 1.00 2.09 C ATOM 1096 C LYS A 68 6.727 11.407 -8.644 1.00 2.06 C ATOM 1097 O LYS A 68 7.137 11.496 -9.802 1.00 2.22 O ATOM 1098 CB LYS A 68 8.822 10.238 -7.971 1.00 2.32 C ATOM 1099 CG LYS A 68 8.246 8.848 -8.248 1.00 2.71 C ATOM 1100 CD LYS A 68 9.233 8.046 -9.099 1.00 3.04 C ATOM 1101 CE LYS A 68 9.175 8.536 -10.546 1.00 3.75 C ATOM 1102 NZ LYS A 68 8.103 7.802 -11.276 1.00 4.18 N ATOM 0 H LYS A 68 6.993 9.573 -6.323 1.00 2.05 H new ATOM 0 HA LYS A 68 8.124 12.125 -7.180 1.00 2.09 H new ATOM 0 HB2 LYS A 68 9.279 10.640 -8.875 1.00 2.32 H new ATOM 0 HB3 LYS A 68 9.607 10.174 -7.218 1.00 2.32 H new ATOM 0 HG2 LYS A 68 8.054 8.329 -7.309 1.00 2.71 H new ATOM 0 HG3 LYS A 68 7.291 8.935 -8.765 1.00 2.71 H new ATOM 0 HD2 LYS A 68 10.243 8.159 -8.706 1.00 3.04 H new ATOM 0 HD3 LYS A 68 8.990 6.984 -9.053 1.00 3.04 H new ATOM 0 HE2 LYS A 68 8.978 9.608 -10.571 1.00 3.75 H new ATOM 0 HE3 LYS A 68 10.137 8.377 -11.034 1.00 3.75 H new ATOM 0 HZ1 LYS A 68 8.063 8.135 -12.260 1.00 4.18 H new ATOM 0 HZ2 LYS A 68 8.310 6.783 -11.263 1.00 4.18 H new ATOM 0 HZ3 LYS A 68 7.187 7.975 -10.814 1.00 4.18 H new ATOM 1116 N SER A 69 5.436 11.509 -8.329 1.00 2.09 N ATOM 1117 CA SER A 69 4.429 11.735 -9.363 1.00 2.28 C ATOM 1118 C SER A 69 4.433 13.207 -9.803 1.00 2.32 C ATOM 1119 O SER A 69 4.104 14.088 -9.009 1.00 2.61 O ATOM 1120 CB SER A 69 3.038 11.385 -8.835 1.00 2.57 C ATOM 1121 OG SER A 69 2.171 11.125 -9.931 1.00 2.77 O ATOM 0 H SER A 69 5.067 11.440 -7.380 1.00 2.09 H new ATOM 0 HA SER A 69 4.671 11.098 -10.214 1.00 2.28 H new ATOM 0 HB2 SER A 69 3.092 10.512 -8.185 1.00 2.57 H new ATOM 0 HB3 SER A 69 2.647 12.206 -8.234 1.00 2.57 H new ATOM 0 HG SER A 69 1.278 10.899 -9.596 1.00 2.77 H new ATOM 1127 N PRO A 70 4.799 13.508 -11.066 1.00 2.69 N ATOM 1128 CA PRO A 70 4.822 14.899 -11.552 1.00 3.05 C ATOM 1129 C PRO A 70 3.444 15.393 -11.992 1.00 3.18 C ATOM 1130 O PRO A 70 3.171 16.593 -11.994 1.00 3.67 O ATOM 1131 CB PRO A 70 5.770 14.813 -12.742 1.00 3.88 C ATOM 1132 CG PRO A 70 5.753 13.369 -13.225 1.00 4.16 C ATOM 1133 CD PRO A 70 5.209 12.508 -12.080 1.00 3.37 C ATOM 0 HA PRO A 70 5.130 15.605 -10.781 1.00 3.05 H new ATOM 0 HB2 PRO A 70 5.453 15.489 -13.536 1.00 3.88 H new ATOM 0 HB3 PRO A 70 6.778 15.111 -12.454 1.00 3.88 H new ATOM 0 HG2 PRO A 70 5.127 13.268 -14.112 1.00 4.16 H new ATOM 0 HG3 PRO A 70 6.756 13.046 -13.505 1.00 4.16 H new ATOM 0 HD2 PRO A 70 4.368 11.894 -12.403 1.00 3.37 H new ATOM 0 HD3 PRO A 70 5.968 11.829 -11.691 1.00 3.37 H new ATOM 1141 N THR A 71 2.578 14.452 -12.364 1.00 3.48 N ATOM 1142 CA THR A 71 1.230 14.802 -12.803 1.00 4.29 C ATOM 1143 C THR A 71 0.268 14.810 -11.608 1.00 5.01 C ATOM 1144 O THR A 71 0.610 14.325 -10.530 1.00 5.40 O ATOM 1145 CB THR A 71 0.723 13.801 -13.850 1.00 4.74 C ATOM 1146 OG1 THR A 71 1.409 12.564 -13.698 1.00 5.01 O ATOM 1147 CG2 THR A 71 0.968 14.359 -15.256 1.00 5.27 C ATOM 0 H THR A 71 2.783 13.453 -12.370 1.00 3.48 H new ATOM 0 HA THR A 71 1.268 15.796 -13.248 1.00 4.29 H new ATOM 0 HB THR A 71 -0.346 13.640 -13.709 1.00 4.74 H new ATOM 0 HG1 THR A 71 1.083 11.925 -14.366 1.00 5.01 H new ATOM 0 HG21 THR A 71 0.607 13.647 -15.998 1.00 5.27 H new ATOM 0 HG22 THR A 71 0.436 15.303 -15.371 1.00 5.27 H new ATOM 0 HG23 THR A 71 2.036 14.524 -15.401 1.00 5.27 H new ATOM 1155 N PRO A 72 -0.946 15.361 -11.779 1.00 5.63 N ATOM 1156 CA PRO A 72 -1.937 15.416 -10.687 1.00 6.67 C ATOM 1157 C PRO A 72 -2.703 14.103 -10.525 1.00 7.41 C ATOM 1158 O PRO A 72 -2.316 13.072 -11.078 1.00 7.87 O ATOM 1159 CB PRO A 72 -2.862 16.536 -11.145 1.00 7.26 C ATOM 1160 CG PRO A 72 -2.730 16.637 -12.661 1.00 6.87 C ATOM 1161 CD PRO A 72 -1.413 15.960 -13.052 1.00 5.76 C ATOM 0 HA PRO A 72 -1.481 15.584 -9.711 1.00 6.67 H new ATOM 0 HB2 PRO A 72 -3.893 16.324 -10.862 1.00 7.26 H new ATOM 0 HB3 PRO A 72 -2.589 17.479 -10.671 1.00 7.26 H new ATOM 0 HG2 PRO A 72 -3.572 16.151 -13.153 1.00 6.87 H new ATOM 0 HG3 PRO A 72 -2.734 17.680 -12.978 1.00 6.87 H new ATOM 0 HD2 PRO A 72 -1.563 15.203 -13.822 1.00 5.76 H new ATOM 0 HD3 PRO A 72 -0.694 16.677 -13.447 1.00 5.76 H new ATOM 1169 N LYS A 73 -3.789 14.149 -9.757 1.00 7.81 N ATOM 1170 CA LYS A 73 -4.594 12.951 -9.526 1.00 8.76 C ATOM 1171 C LYS A 73 -5.550 12.705 -10.701 1.00 9.13 C ATOM 1172 O LYS A 73 -5.499 11.645 -11.328 1.00 9.30 O ATOM 1173 CB LYS A 73 -5.398 13.080 -8.225 1.00 9.36 C ATOM 1174 CG LYS A 73 -4.685 12.333 -7.095 1.00 9.82 C ATOM 1175 CD LYS A 73 -5.635 12.177 -5.907 1.00 10.66 C ATOM 1176 CE LYS A 73 -4.839 12.253 -4.602 1.00 11.15 C ATOM 1177 NZ LYS A 73 -5.752 12.627 -3.485 1.00 11.77 N ATOM 0 H LYS A 73 -4.129 14.990 -9.290 1.00 7.81 H new ATOM 0 HA LYS A 73 -3.914 12.103 -9.439 1.00 8.76 H new ATOM 0 HB2 LYS A 73 -5.513 14.131 -7.961 1.00 9.36 H new ATOM 0 HB3 LYS A 73 -6.400 12.675 -8.365 1.00 9.36 H new ATOM 0 HG2 LYS A 73 -4.357 11.353 -7.443 1.00 9.82 H new ATOM 0 HG3 LYS A 73 -3.792 12.879 -6.791 1.00 9.82 H new ATOM 0 HD2 LYS A 73 -6.393 12.960 -5.929 1.00 10.66 H new ATOM 0 HD3 LYS A 73 -6.160 11.224 -5.970 1.00 10.66 H new ATOM 0 HE2 LYS A 73 -4.368 11.292 -4.395 1.00 11.15 H new ATOM 0 HE3 LYS A 73 -4.039 12.988 -4.694 1.00 11.15 H new ATOM 0 HZ1 LYS A 73 -5.212 12.679 -2.598 1.00 11.77 H new ATOM 0 HZ2 LYS A 73 -6.182 13.553 -3.683 1.00 11.77 H new ATOM 0 HZ3 LYS A 73 -6.500 11.910 -3.393 1.00 11.77 H new ATOM 1191 N PRO A 74 -6.431 13.668 -11.029 1.00 9.55 N ATOM 1192 CA PRO A 74 -7.376 13.501 -12.152 1.00 10.20 C ATOM 1193 C PRO A 74 -6.709 13.697 -13.511 1.00 10.72 C ATOM 1194 O PRO A 74 -7.122 13.038 -14.452 1.00 11.10 O ATOM 1195 CB PRO A 74 -8.400 14.597 -11.889 1.00 10.64 C ATOM 1196 CG PRO A 74 -7.707 15.657 -11.047 1.00 10.42 C ATOM 1197 CD PRO A 74 -6.548 14.968 -10.322 1.00 9.69 C ATOM 1198 OXT PRO A 74 -5.797 14.503 -13.591 1.00 10.91 O ATOM 0 HA PRO A 74 -7.798 12.497 -12.197 1.00 10.20 H new ATOM 0 HB2 PRO A 74 -8.759 15.022 -12.826 1.00 10.64 H new ATOM 0 HB3 PRO A 74 -9.269 14.196 -11.367 1.00 10.64 H new ATOM 0 HG2 PRO A 74 -7.340 16.469 -11.675 1.00 10.42 H new ATOM 0 HG3 PRO A 74 -8.402 16.096 -10.332 1.00 10.42 H new ATOM 0 HD2 PRO A 74 -5.628 15.548 -10.391 1.00 9.69 H new ATOM 0 HD3 PRO A 74 -6.760 14.832 -9.262 1.00 9.69 H new TER 1206 PRO A 74