USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 24 THR OG1 : rot 180:sc= -0.379 USER MOD Set 1.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 1 ASN N :NH3+ -169:sc= -0.0198 (180deg=-0.18) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00374) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0311 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.448 K(o=0.45,f=-1.3) USER MOD Single : A 35 TYR OH : rot 30:sc= -2.52 USER MOD Single : A 36 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 37 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -0.771 (180deg=-0.781) USER MOD Single : A 48 GLN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 49 MET CE :methyl -152:sc= -6.88! (180deg=-10.2!) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -167:sc= 0 (180deg=-0.11) USER MOD Single : A 56 ASN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.6 K(o=0.6,f=-0.36) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 8:sc= 0.946 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -17.866 -0.967 -2.021 1.00 0.00 N ATOM 2 CA ASN A 1 -17.919 -1.318 -0.578 1.00 0.00 C ATOM 3 C ASN A 1 -16.667 -2.075 -0.148 1.00 0.00 C ATOM 4 O ASN A 1 -16.205 -1.937 0.985 1.00 0.00 O ATOM 5 CB ASN A 1 -19.164 -2.172 -0.331 1.00 0.00 C ATOM 6 CG ASN A 1 -20.384 -1.335 -0.003 1.00 0.00 C ATOM 7 OD1 ASN A 1 -20.851 -0.548 -0.826 1.00 0.00 O ATOM 8 ND2 ASN A 1 -20.907 -1.501 1.206 1.00 0.00 N ATOM 0 H1 ASN A 1 -18.631 -0.299 -2.244 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.949 -0.528 -2.238 1.00 0.00 H new ATOM 0 H3 ASN A 1 -17.981 -1.828 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 1 -17.967 -0.403 0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -19.368 -2.776 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -18.970 -2.863 0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -21.729 -0.965 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -20.487 -2.165 1.857 1.00 0.00 H new ATOM 16 N LYS A 2 -16.122 -2.874 -1.061 1.00 0.00 N ATOM 17 CA LYS A 2 -14.921 -3.656 -0.781 1.00 0.00 C ATOM 18 C LYS A 2 -15.209 -4.751 0.242 1.00 0.00 C ATOM 19 O LYS A 2 -15.215 -5.936 -0.089 1.00 0.00 O ATOM 20 CB LYS A 2 -13.796 -2.749 -0.274 1.00 0.00 C ATOM 21 CG LYS A 2 -12.430 -3.101 -0.840 1.00 0.00 C ATOM 22 CD LYS A 2 -11.510 -1.891 -0.866 1.00 0.00 C ATOM 23 CE LYS A 2 -11.781 -1.011 -2.076 1.00 0.00 C ATOM 24 NZ LYS A 2 -11.193 -1.580 -3.320 1.00 0.00 N ATOM 0 H LYS A 2 -16.494 -2.997 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.603 -4.127 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.031 -1.716 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.756 -2.807 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.978 -3.890 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.544 -3.495 -1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.646 -1.310 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.472 -2.222 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.857 -0.892 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.369 -0.017 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.371 -0.934 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.168 -1.702 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.629 -2.503 -3.520 1.00 0.00 H new ATOM 38 N GLU A 3 -15.448 -4.346 1.486 1.00 0.00 N ATOM 39 CA GLU A 3 -15.737 -5.295 2.555 1.00 0.00 C ATOM 40 C GLU A 3 -14.576 -6.263 2.754 1.00 0.00 C ATOM 41 O GLU A 3 -14.779 -7.437 3.063 1.00 0.00 O ATOM 42 CB GLU A 3 -17.018 -6.073 2.244 1.00 0.00 C ATOM 43 CG GLU A 3 -18.288 -5.334 2.633 1.00 0.00 C ATOM 44 CD GLU A 3 -18.648 -5.523 4.093 1.00 0.00 C ATOM 45 OE1 GLU A 3 -19.270 -6.554 4.422 1.00 0.00 O ATOM 46 OE2 GLU A 3 -18.307 -4.639 4.907 1.00 0.00 O ATOM 0 H GLU A 3 -15.447 -3.369 1.778 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.878 -4.731 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.049 -6.295 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.989 -7.029 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.163 -4.271 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.112 -5.683 2.011 1.00 0.00 H new ATOM 53 N LEU A 4 -13.357 -5.764 2.571 1.00 0.00 N ATOM 54 CA LEU A 4 -12.160 -6.585 2.728 1.00 0.00 C ATOM 55 C LEU A 4 -12.143 -7.278 4.088 1.00 0.00 C ATOM 56 O LEU A 4 -12.145 -8.506 4.170 1.00 0.00 O ATOM 57 CB LEU A 4 -10.900 -5.731 2.560 1.00 0.00 C ATOM 58 CG LEU A 4 -10.967 -4.335 3.192 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.975 -4.217 4.339 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.703 -3.260 2.147 1.00 0.00 C ATOM 0 H LEU A 4 -13.172 -4.795 2.314 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.176 -7.351 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.056 -6.268 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.695 -5.621 1.495 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.971 -4.189 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.038 -3.219 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.210 -4.960 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.965 -4.387 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.755 -2.277 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.712 -3.406 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.453 -3.327 1.359 1.00 0.00 H new ATOM 72 N ASP A 5 -12.124 -6.481 5.154 1.00 0.00 N ATOM 73 CA ASP A 5 -12.107 -7.013 6.513 1.00 0.00 C ATOM 74 C ASP A 5 -11.930 -5.886 7.528 1.00 0.00 C ATOM 75 O ASP A 5 -11.463 -4.800 7.186 1.00 0.00 O ATOM 76 CB ASP A 5 -10.981 -8.041 6.674 1.00 0.00 C ATOM 77 CG ASP A 5 -11.497 -9.467 6.683 1.00 0.00 C ATOM 78 OD1 ASP A 5 -12.668 -9.678 6.303 1.00 0.00 O ATOM 79 OD2 ASP A 5 -10.730 -10.372 7.072 1.00 0.00 O ATOM 0 H ASP A 5 -12.120 -5.462 5.102 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.062 -7.505 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.265 -7.922 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.444 -7.846 7.603 1.00 0.00 H new ATOM 84 N PRO A 6 -12.305 -6.129 8.796 1.00 0.00 N ATOM 85 CA PRO A 6 -12.187 -5.129 9.858 1.00 0.00 C ATOM 86 C PRO A 6 -10.763 -5.013 10.395 1.00 0.00 C ATOM 87 O PRO A 6 -10.534 -5.116 11.601 1.00 0.00 O ATOM 88 CB PRO A 6 -13.124 -5.667 10.937 1.00 0.00 C ATOM 89 CG PRO A 6 -13.078 -7.147 10.765 1.00 0.00 C ATOM 90 CD PRO A 6 -12.876 -7.397 9.291 1.00 0.00 C ATOM 0 HA PRO A 6 -12.436 -4.126 9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.793 -5.372 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.137 -5.284 10.811 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.265 -7.581 11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.002 -7.608 11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.202 -8.235 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.816 -7.634 8.793 1.00 0.00 H new ATOM 98 N VAL A 7 -9.808 -4.795 9.495 1.00 0.00 N ATOM 99 CA VAL A 7 -8.408 -4.663 9.880 1.00 0.00 C ATOM 100 C VAL A 7 -7.522 -4.438 8.659 1.00 0.00 C ATOM 101 O VAL A 7 -6.624 -3.596 8.677 1.00 0.00 O ATOM 102 CB VAL A 7 -7.912 -5.909 10.642 1.00 0.00 C ATOM 103 CG1 VAL A 7 -8.017 -7.150 9.769 1.00 0.00 C ATOM 104 CG2 VAL A 7 -6.483 -5.708 11.127 1.00 0.00 C ATOM 0 H VAL A 7 -9.979 -4.706 8.493 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.341 -3.797 10.538 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.550 -6.053 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.662 -8.017 10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.057 -7.305 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.408 -7.018 8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.152 -6.598 11.662 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.830 -5.534 10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.443 -4.847 11.795 1.00 0.00 H new ATOM 114 N GLN A 8 -7.778 -5.198 7.598 1.00 0.00 N ATOM 115 CA GLN A 8 -7.002 -5.082 6.368 1.00 0.00 C ATOM 116 C GLN A 8 -6.983 -3.641 5.866 1.00 0.00 C ATOM 117 O GLN A 8 -6.029 -3.213 5.216 1.00 0.00 O ATOM 118 CB GLN A 8 -7.576 -6.003 5.289 1.00 0.00 C ATOM 119 CG GLN A 8 -6.975 -7.399 5.298 1.00 0.00 C ATOM 120 CD GLN A 8 -6.757 -7.948 3.902 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.658 -7.865 3.354 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.807 -8.515 3.319 1.00 0.00 N ATOM 0 H GLN A 8 -8.517 -5.901 7.566 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.978 -5.383 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.655 -6.080 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.410 -5.551 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.023 -7.378 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.633 -8.070 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.700 -8.562 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.721 -8.904 2.380 1.00 0.00 H new ATOM 131 N LYS A 9 -8.042 -2.898 6.171 1.00 0.00 N ATOM 132 CA LYS A 9 -8.143 -1.505 5.751 1.00 0.00 C ATOM 133 C LYS A 9 -7.014 -0.675 6.351 1.00 0.00 C ATOM 134 O LYS A 9 -6.359 0.097 5.651 1.00 0.00 O ATOM 135 CB LYS A 9 -9.496 -0.921 6.162 1.00 0.00 C ATOM 136 CG LYS A 9 -9.756 -0.984 7.658 1.00 0.00 C ATOM 137 CD LYS A 9 -11.228 -0.777 7.976 1.00 0.00 C ATOM 138 CE LYS A 9 -11.415 -0.069 9.308 1.00 0.00 C ATOM 139 NZ LYS A 9 -11.110 -0.963 10.460 1.00 0.00 N ATOM 0 H LYS A 9 -8.841 -3.237 6.707 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.058 -1.472 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.548 0.118 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.288 -1.459 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.431 -1.950 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.163 -0.222 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.694 -0.192 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.735 -1.741 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.768 0.807 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.441 0.289 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.250 -0.443 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.744 -1.787 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.123 -1.284 10.398 1.00 0.00 H new ATOM 153 N LEU A 10 -6.786 -0.844 7.650 1.00 0.00 N ATOM 154 CA LEU A 10 -5.728 -0.113 8.340 1.00 0.00 C ATOM 155 C LEU A 10 -4.382 -0.350 7.661 1.00 0.00 C ATOM 156 O LEU A 10 -3.508 0.518 7.668 1.00 0.00 O ATOM 157 CB LEU A 10 -5.664 -0.532 9.813 1.00 0.00 C ATOM 158 CG LEU A 10 -4.887 -1.821 10.098 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.471 -1.501 10.553 1.00 0.00 C ATOM 160 CD2 LEU A 10 -5.607 -2.660 11.143 1.00 0.00 C ATOM 0 H LEU A 10 -7.318 -1.479 8.245 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.956 0.952 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.211 0.279 10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.682 -0.653 10.183 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.830 -2.398 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.934 -2.429 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.955 -0.943 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.508 -0.902 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.040 -3.571 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.697 -2.090 12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.601 -2.920 10.779 1.00 0.00 H new ATOM 172 N PHE A 11 -4.229 -1.531 7.073 1.00 0.00 N ATOM 173 CA PHE A 11 -2.997 -1.890 6.383 1.00 0.00 C ATOM 174 C PHE A 11 -2.792 -1.013 5.161 1.00 0.00 C ATOM 175 O PHE A 11 -1.776 -0.329 5.043 1.00 0.00 O ATOM 176 CB PHE A 11 -3.033 -3.365 5.974 1.00 0.00 C ATOM 177 CG PHE A 11 -1.705 -4.054 6.086 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.548 -3.423 5.664 1.00 0.00 C ATOM 179 CD2 PHE A 11 -1.615 -5.331 6.612 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.678 -4.053 5.764 1.00 0.00 C ATOM 181 CE2 PHE A 11 -0.393 -5.968 6.716 1.00 0.00 C ATOM 182 CZ PHE A 11 0.755 -5.328 6.291 1.00 0.00 C ATOM 0 H PHE A 11 -4.945 -2.257 7.061 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.161 -1.731 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.758 -3.888 6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.385 -3.439 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.604 -2.426 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.510 -5.835 6.945 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.574 -3.550 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.336 -6.964 7.129 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.711 -5.823 6.371 1.00 0.00 H new ATOM 192 N VAL A 12 -3.764 -1.021 4.257 1.00 0.00 N ATOM 193 CA VAL A 12 -3.681 -0.207 3.053 1.00 0.00 C ATOM 194 C VAL A 12 -3.436 1.253 3.415 1.00 0.00 C ATOM 195 O VAL A 12 -2.876 2.015 2.628 1.00 0.00 O ATOM 196 CB VAL A 12 -4.965 -0.318 2.212 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.842 0.489 0.927 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.277 -1.776 1.905 1.00 0.00 C ATOM 0 H VAL A 12 -4.614 -1.579 4.335 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.846 -0.580 2.461 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.790 0.095 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.761 0.395 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.672 1.538 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.004 0.113 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.188 -1.836 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.450 -2.216 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.417 -2.322 2.838 1.00 0.00 H new ATOM 208 N ASP A 13 -3.847 1.630 4.623 1.00 0.00 N ATOM 209 CA ASP A 13 -3.658 2.990 5.101 1.00 0.00 C ATOM 210 C ASP A 13 -2.364 3.106 5.902 1.00 0.00 C ATOM 211 O ASP A 13 -2.135 4.107 6.582 1.00 0.00 O ATOM 212 CB ASP A 13 -4.848 3.425 5.960 1.00 0.00 C ATOM 213 CG ASP A 13 -5.928 4.112 5.147 1.00 0.00 C ATOM 214 OD1 ASP A 13 -5.599 5.062 4.406 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.102 3.699 5.249 1.00 0.00 O ATOM 0 H ASP A 13 -4.313 1.010 5.286 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.590 3.648 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.271 2.553 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.501 4.101 6.742 1.00 0.00 H new ATOM 220 N LYS A 14 -1.509 2.088 5.802 1.00 0.00 N ATOM 221 CA LYS A 14 -0.235 2.092 6.495 1.00 0.00 C ATOM 222 C LYS A 14 0.875 2.132 5.471 1.00 0.00 C ATOM 223 O LYS A 14 1.897 2.789 5.668 1.00 0.00 O ATOM 224 CB LYS A 14 -0.096 0.859 7.389 1.00 0.00 C ATOM 225 CG LYS A 14 0.768 1.094 8.618 1.00 0.00 C ATOM 226 CD LYS A 14 0.063 0.657 9.891 1.00 0.00 C ATOM 227 CE LYS A 14 -0.924 1.710 10.371 1.00 0.00 C ATOM 228 NZ LYS A 14 -0.370 2.522 11.489 1.00 0.00 N ATOM 0 H LYS A 14 -1.683 1.252 5.245 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.176 2.971 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.088 0.538 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.331 0.043 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.705 0.547 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.023 2.152 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.462 -0.281 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.801 0.467 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.187 2.366 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.844 1.224 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.073 3.228 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.143 1.900 12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.494 3.007 11.171 1.00 0.00 H new ATOM 242 N ILE A 15 0.653 1.452 4.352 1.00 0.00 N ATOM 243 CA ILE A 15 1.632 1.454 3.287 1.00 0.00 C ATOM 244 C ILE A 15 1.603 2.800 2.566 1.00 0.00 C ATOM 245 O ILE A 15 2.558 3.189 1.900 1.00 0.00 O ATOM 246 CB ILE A 15 1.439 0.315 2.253 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.022 -0.159 2.202 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.382 -0.843 2.559 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.293 -1.398 3.027 1.00 0.00 C ATOM 0 H ILE A 15 -0.185 0.902 4.166 1.00 0.00 H new ATOM 0 HA ILE A 15 2.598 1.283 3.762 1.00 0.00 H new ATOM 0 HB ILE A 15 1.684 0.709 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.668 0.647 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.293 -0.358 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.235 -1.635 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.414 -0.494 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.172 -1.229 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.345 -1.670 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.325 -2.219 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.055 -1.199 4.072 1.00 0.00 H new ATOM 261 N ARG A 16 0.516 3.533 2.722 1.00 0.00 N ATOM 262 CA ARG A 16 0.425 4.841 2.106 1.00 0.00 C ATOM 263 C ARG A 16 0.933 5.894 3.079 1.00 0.00 C ATOM 264 O ARG A 16 0.826 7.094 2.826 1.00 0.00 O ATOM 265 CB ARG A 16 -1.010 5.149 1.679 1.00 0.00 C ATOM 266 CG ARG A 16 -1.102 6.070 0.473 1.00 0.00 C ATOM 267 CD ARG A 16 -2.406 5.869 -0.282 1.00 0.00 C ATOM 268 NE ARG A 16 -3.501 6.643 0.301 1.00 0.00 N ATOM 269 CZ ARG A 16 -4.651 6.886 -0.324 1.00 0.00 C ATOM 270 NH1 ARG A 16 -4.861 6.419 -1.548 1.00 0.00 N ATOM 271 NH2 ARG A 16 -5.594 7.598 0.278 1.00 0.00 N ATOM 0 H ARG A 16 -0.303 3.250 3.261 1.00 0.00 H new ATOM 0 HA ARG A 16 1.044 4.851 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.521 4.214 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.539 5.606 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.025 7.107 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.261 5.883 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.271 6.160 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.668 4.811 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.376 7.019 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.139 5.870 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.744 6.609 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.438 7.959 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.475 7.785 -0.200 1.00 0.00 H new ATOM 285 N GLU A 17 1.491 5.431 4.200 1.00 0.00 N ATOM 286 CA GLU A 17 2.019 6.323 5.214 1.00 0.00 C ATOM 287 C GLU A 17 3.537 6.171 5.345 1.00 0.00 C ATOM 288 O GLU A 17 4.225 7.084 5.802 1.00 0.00 O ATOM 289 CB GLU A 17 1.311 6.057 6.549 1.00 0.00 C ATOM 290 CG GLU A 17 2.239 5.743 7.716 1.00 0.00 C ATOM 291 CD GLU A 17 2.983 6.964 8.217 1.00 0.00 C ATOM 292 OE1 GLU A 17 2.483 8.090 8.011 1.00 0.00 O ATOM 293 OE2 GLU A 17 4.066 6.796 8.815 1.00 0.00 O ATOM 0 H GLU A 17 1.585 4.440 4.421 1.00 0.00 H new ATOM 0 HA GLU A 17 1.826 7.354 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.711 6.930 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.621 5.223 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.657 5.317 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.959 4.985 7.408 1.00 0.00 H new ATOM 300 N TYR A 18 4.048 5.024 4.927 1.00 0.00 N ATOM 301 CA TYR A 18 5.480 4.761 4.981 1.00 0.00 C ATOM 302 C TYR A 18 6.118 5.024 3.617 1.00 0.00 C ATOM 303 O TYR A 18 7.292 5.385 3.534 1.00 0.00 O ATOM 304 CB TYR A 18 5.736 3.312 5.417 1.00 0.00 C ATOM 305 CG TYR A 18 5.657 2.351 4.268 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.542 2.359 3.474 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.681 1.466 3.964 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.416 1.526 2.406 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.573 0.613 2.881 1.00 0.00 C ATOM 310 CZ TYR A 18 5.434 0.646 2.101 1.00 0.00 C ATOM 311 OH TYR A 18 5.313 -0.197 1.021 1.00 0.00 O ATOM 0 H TYR A 18 3.493 4.258 4.546 1.00 0.00 H new ATOM 0 HA TYR A 18 5.932 5.431 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.721 3.242 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.007 3.029 6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.740 3.046 3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.569 1.443 4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.523 1.553 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.373 -0.074 2.647 1.00 0.00 H new ATOM 0 HH TYR A 18 6.118 -0.750 0.946 1.00 0.00 H new ATOM 321 N ARG A 19 5.335 4.861 2.545 1.00 0.00 N ATOM 322 CA ARG A 19 5.840 5.106 1.202 1.00 0.00 C ATOM 323 C ARG A 19 5.725 6.585 0.891 1.00 0.00 C ATOM 324 O ARG A 19 6.520 7.147 0.138 1.00 0.00 O ATOM 325 CB ARG A 19 5.066 4.281 0.170 1.00 0.00 C ATOM 326 CG ARG A 19 5.857 3.109 -0.386 1.00 0.00 C ATOM 327 CD ARG A 19 5.247 2.587 -1.677 1.00 0.00 C ATOM 328 NE ARG A 19 5.509 3.481 -2.803 1.00 0.00 N ATOM 329 CZ ARG A 19 5.469 3.100 -4.078 1.00 0.00 C ATOM 330 NH1 ARG A 19 5.174 1.846 -4.396 1.00 0.00 N ATOM 331 NH2 ARG A 19 5.724 3.978 -5.039 1.00 0.00 N ATOM 0 H ARG A 19 4.360 4.564 2.586 1.00 0.00 H new ATOM 0 HA ARG A 19 6.886 4.803 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.151 3.906 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.768 4.931 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.887 3.417 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.889 2.308 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.651 1.599 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.171 2.470 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 19 5.736 4.454 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.976 1.167 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.145 1.561 -5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.950 4.944 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.694 3.688 -6.016 1.00 0.00 H new ATOM 345 N THR A 20 4.731 7.211 1.507 1.00 0.00 N ATOM 346 CA THR A 20 4.495 8.634 1.344 1.00 0.00 C ATOM 347 C THR A 20 5.711 9.423 1.817 1.00 0.00 C ATOM 348 O THR A 20 6.065 10.448 1.236 1.00 0.00 O ATOM 349 CB THR A 20 3.269 9.029 2.160 1.00 0.00 C ATOM 350 OG1 THR A 20 3.265 10.417 2.443 1.00 0.00 O ATOM 351 CG2 THR A 20 3.200 8.287 3.463 1.00 0.00 C ATOM 0 H THR A 20 4.070 6.747 2.130 1.00 0.00 H new ATOM 0 HA THR A 20 4.323 8.858 0.291 1.00 0.00 H new ATOM 0 HB THR A 20 2.404 8.770 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.467 10.642 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.312 8.599 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.150 7.216 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.089 8.507 4.055 1.00 0.00 H new ATOM 359 N LYS A 21 6.348 8.931 2.881 1.00 0.00 N ATOM 360 CA LYS A 21 7.525 9.589 3.435 1.00 0.00 C ATOM 361 C LYS A 21 8.736 9.397 2.526 1.00 0.00 C ATOM 362 O LYS A 21 9.631 10.241 2.483 1.00 0.00 O ATOM 363 CB LYS A 21 7.829 9.045 4.832 1.00 0.00 C ATOM 364 CG LYS A 21 8.356 10.098 5.792 1.00 0.00 C ATOM 365 CD LYS A 21 7.246 11.013 6.280 1.00 0.00 C ATOM 366 CE LYS A 21 6.176 10.238 7.033 1.00 0.00 C ATOM 367 NZ LYS A 21 5.601 11.029 8.155 1.00 0.00 N ATOM 0 H LYS A 21 6.067 8.082 3.372 1.00 0.00 H new ATOM 0 HA LYS A 21 7.314 10.656 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.922 8.607 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.561 8.242 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.828 9.610 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.126 10.690 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.665 11.781 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.795 11.526 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.380 9.955 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.604 9.314 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.876 10.464 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.355 11.278 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.170 11.899 7.781 1.00 0.00 H new ATOM 381 N ARG A 22 8.757 8.283 1.802 1.00 0.00 N ATOM 382 CA ARG A 22 9.860 7.981 0.896 1.00 0.00 C ATOM 383 C ARG A 22 9.544 8.423 -0.534 1.00 0.00 C ATOM 384 O ARG A 22 10.334 8.190 -1.449 1.00 0.00 O ATOM 385 CB ARG A 22 10.169 6.484 0.921 1.00 0.00 C ATOM 386 CG ARG A 22 10.891 6.033 2.180 1.00 0.00 C ATOM 387 CD ARG A 22 10.999 4.518 2.248 1.00 0.00 C ATOM 388 NE ARG A 22 12.155 4.017 1.507 1.00 0.00 N ATOM 389 CZ ARG A 22 13.405 4.064 1.962 1.00 0.00 C ATOM 390 NH1 ARG A 22 13.664 4.585 3.155 1.00 0.00 N ATOM 391 NH2 ARG A 22 14.396 3.586 1.224 1.00 0.00 N ATOM 0 H ARG A 22 8.024 7.575 1.825 1.00 0.00 H new ATOM 0 HA ARG A 22 10.734 8.536 1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.236 5.927 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.778 6.233 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.889 6.471 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.359 6.401 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.074 4.206 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.090 4.071 1.846 1.00 0.00 H new ATOM 0 HE ARG A 22 11.994 3.607 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.904 4.952 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.624 4.619 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.201 3.182 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.354 3.622 1.572 1.00 0.00 H new ATOM 405 N GLN A 23 8.389 9.057 -0.724 1.00 0.00 N ATOM 406 CA GLN A 23 7.985 9.522 -2.046 1.00 0.00 C ATOM 407 C GLN A 23 8.329 10.998 -2.232 1.00 0.00 C ATOM 408 O GLN A 23 7.549 11.762 -2.802 1.00 0.00 O ATOM 409 CB GLN A 23 6.484 9.297 -2.252 1.00 0.00 C ATOM 410 CG GLN A 23 6.158 8.436 -3.462 1.00 0.00 C ATOM 411 CD GLN A 23 6.931 7.131 -3.478 1.00 0.00 C ATOM 412 OE1 GLN A 23 7.393 6.684 -4.527 1.00 0.00 O ATOM 413 NE2 GLN A 23 7.074 6.512 -2.310 1.00 0.00 N ATOM 0 H GLN A 23 7.720 9.259 0.019 1.00 0.00 H new ATOM 0 HA GLN A 23 8.533 8.947 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.070 8.827 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.992 10.263 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.090 8.221 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.379 8.996 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.674 6.919 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.584 5.630 -2.259 1.00 0.00 H new ATOM 422 N THR A 24 9.503 11.393 -1.749 1.00 0.00 N ATOM 423 CA THR A 24 9.950 12.776 -1.863 1.00 0.00 C ATOM 424 C THR A 24 10.035 13.202 -3.325 1.00 0.00 C ATOM 425 O THR A 24 9.456 14.214 -3.720 1.00 0.00 O ATOM 426 CB THR A 24 11.313 12.949 -1.189 1.00 0.00 C ATOM 427 OG1 THR A 24 12.319 12.260 -1.909 1.00 0.00 O ATOM 428 CG2 THR A 24 11.343 12.447 0.238 1.00 0.00 C ATOM 0 H THR A 24 10.161 10.775 -1.275 1.00 0.00 H new ATOM 0 HA THR A 24 9.220 13.411 -1.361 1.00 0.00 H new ATOM 0 HB THR A 24 11.498 14.023 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.183 12.384 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.338 12.600 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.612 12.995 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.101 11.384 0.255 1.00 0.00 H new ATOM 436 N SER A 25 10.760 12.425 -4.122 1.00 0.00 N ATOM 437 CA SER A 25 10.920 12.723 -5.541 1.00 0.00 C ATOM 438 C SER A 25 11.731 11.635 -6.237 1.00 0.00 C ATOM 439 O SER A 25 12.591 11.000 -5.626 1.00 0.00 O ATOM 440 CB SER A 25 11.603 14.080 -5.725 1.00 0.00 C ATOM 441 OG SER A 25 12.837 14.128 -5.031 1.00 0.00 O ATOM 0 H SER A 25 11.246 11.584 -3.810 1.00 0.00 H new ATOM 0 HA SER A 25 9.929 12.758 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.771 14.265 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.948 14.872 -5.363 1.00 0.00 H new ATOM 0 HG SER A 25 13.254 15.004 -5.166 1.00 0.00 H new ATOM 447 N GLY A 26 11.452 11.425 -7.520 1.00 0.00 N ATOM 448 CA GLY A 26 12.164 10.413 -8.278 1.00 0.00 C ATOM 449 C GLY A 26 11.960 9.019 -7.718 1.00 0.00 C ATOM 450 O GLY A 26 12.632 8.620 -6.768 1.00 0.00 O ATOM 0 H GLY A 26 10.746 11.938 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.829 10.437 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.228 10.648 -8.281 1.00 0.00 H new ATOM 454 N GLY A 27 11.028 8.277 -8.310 1.00 0.00 N ATOM 455 CA GLY A 27 10.754 6.928 -7.850 1.00 0.00 C ATOM 456 C GLY A 27 10.478 5.969 -8.994 1.00 0.00 C ATOM 457 O GLY A 27 11.012 6.138 -10.090 1.00 0.00 O ATOM 0 H GLY A 27 10.459 8.586 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.604 6.565 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.896 6.944 -7.178 1.00 0.00 H new ATOM 461 N PRO A 28 9.640 4.943 -8.767 1.00 0.00 N ATOM 462 CA PRO A 28 9.302 3.956 -9.798 1.00 0.00 C ATOM 463 C PRO A 28 8.450 4.551 -10.914 1.00 0.00 C ATOM 464 O PRO A 28 8.713 4.332 -12.096 1.00 0.00 O ATOM 465 CB PRO A 28 8.510 2.894 -9.031 1.00 0.00 C ATOM 466 CG PRO A 28 7.943 3.619 -7.859 1.00 0.00 C ATOM 467 CD PRO A 28 8.958 4.664 -7.489 1.00 0.00 C ATOM 0 HA PRO A 28 10.191 3.568 -10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.722 2.464 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.152 2.072 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.985 4.076 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.764 2.937 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.485 5.558 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.654 4.299 -6.733 1.00 0.00 H new ATOM 475 N VAL A 29 7.426 5.306 -10.527 1.00 0.00 N ATOM 476 CA VAL A 29 6.531 5.935 -11.490 1.00 0.00 C ATOM 477 C VAL A 29 6.750 7.441 -11.536 1.00 0.00 C ATOM 478 O VAL A 29 7.336 8.016 -10.619 1.00 0.00 O ATOM 479 CB VAL A 29 5.053 5.645 -11.149 1.00 0.00 C ATOM 480 CG1 VAL A 29 4.694 6.213 -9.783 1.00 0.00 C ATOM 481 CG2 VAL A 29 4.130 6.202 -12.224 1.00 0.00 C ATOM 0 H VAL A 29 7.196 5.497 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 29 6.760 5.510 -12.468 1.00 0.00 H new ATOM 0 HB VAL A 29 4.919 4.564 -11.114 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.648 5.997 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.327 5.757 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.849 7.292 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.094 5.986 -11.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.268 7.281 -12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.366 5.739 -13.182 1.00 0.00 H new ATOM 491 N ASP A 30 6.269 8.080 -12.605 1.00 0.00 N ATOM 492 CA ASP A 30 6.405 9.527 -12.760 1.00 0.00 C ATOM 493 C ASP A 30 6.105 10.231 -11.442 1.00 0.00 C ATOM 494 O ASP A 30 6.675 11.279 -11.137 1.00 0.00 O ATOM 495 CB ASP A 30 5.465 10.036 -13.853 1.00 0.00 C ATOM 496 CG ASP A 30 5.864 9.551 -15.233 1.00 0.00 C ATOM 497 OD1 ASP A 30 6.890 10.033 -15.758 1.00 0.00 O ATOM 498 OD2 ASP A 30 5.151 8.689 -15.789 1.00 0.00 O ATOM 0 H ASP A 30 5.783 7.618 -13.374 1.00 0.00 H new ATOM 0 HA ASP A 30 7.432 9.749 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.449 9.708 -13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.457 11.126 -13.843 1.00 0.00 H new ATOM 503 N ALA A 31 5.216 9.630 -10.656 1.00 0.00 N ATOM 504 CA ALA A 31 4.848 10.173 -9.360 1.00 0.00 C ATOM 505 C ALA A 31 4.201 11.546 -9.496 1.00 0.00 C ATOM 506 O ALA A 31 4.545 12.481 -8.772 1.00 0.00 O ATOM 507 CB ALA A 31 6.073 10.236 -8.463 1.00 0.00 C ATOM 0 H ALA A 31 4.737 8.763 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 31 4.110 9.512 -8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.792 10.644 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.480 9.233 -8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.827 10.876 -8.921 1.00 0.00 H new ATOM 513 N GLY A 32 3.257 11.657 -10.424 1.00 0.00 N ATOM 514 CA GLY A 32 2.570 12.916 -10.632 1.00 0.00 C ATOM 515 C GLY A 32 1.754 13.327 -9.422 1.00 0.00 C ATOM 516 O GLY A 32 2.029 12.881 -8.308 1.00 0.00 O ATOM 0 H GLY A 32 2.956 10.898 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.300 13.694 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.915 12.832 -11.499 1.00 0.00 H new ATOM 520 N PRO A 33 0.736 14.183 -9.606 1.00 0.00 N ATOM 521 CA PRO A 33 -0.111 14.643 -8.506 1.00 0.00 C ATOM 522 C PRO A 33 -1.167 13.621 -8.107 1.00 0.00 C ATOM 523 O PRO A 33 -1.791 13.744 -7.053 1.00 0.00 O ATOM 524 CB PRO A 33 -0.763 15.896 -9.080 1.00 0.00 C ATOM 525 CG PRO A 33 -0.855 15.632 -10.544 1.00 0.00 C ATOM 526 CD PRO A 33 0.333 14.773 -10.897 1.00 0.00 C ATOM 0 HA PRO A 33 0.460 14.816 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.748 16.066 -8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.166 16.784 -8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.788 15.124 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.842 16.564 -11.108 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.069 14.004 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.137 15.363 -11.336 1.00 0.00 H new ATOM 534 N GLU A 34 -1.365 12.609 -8.944 1.00 0.00 N ATOM 535 CA GLU A 34 -2.344 11.574 -8.650 1.00 0.00 C ATOM 536 C GLU A 34 -1.795 10.198 -8.991 1.00 0.00 C ATOM 537 O GLU A 34 -2.538 9.284 -9.350 1.00 0.00 O ATOM 538 CB GLU A 34 -3.649 11.831 -9.404 1.00 0.00 C ATOM 539 CG GLU A 34 -3.452 12.096 -10.888 1.00 0.00 C ATOM 540 CD GLU A 34 -3.030 10.857 -11.651 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.812 10.587 -11.718 1.00 0.00 O ATOM 542 OE2 GLU A 34 -3.917 10.156 -12.182 1.00 0.00 O ATOM 0 H GLU A 34 -0.864 12.485 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.554 11.604 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.306 10.970 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.156 12.685 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.380 12.480 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.698 12.872 -11.018 1.00 0.00 H new ATOM 549 N TYR A 35 -0.489 10.059 -8.840 1.00 0.00 N ATOM 550 CA TYR A 35 0.196 8.801 -9.086 1.00 0.00 C ATOM 551 C TYR A 35 -0.215 7.762 -8.045 1.00 0.00 C ATOM 552 O TYR A 35 0.198 6.612 -8.124 1.00 0.00 O ATOM 553 CB TYR A 35 1.698 9.018 -8.978 1.00 0.00 C ATOM 554 CG TYR A 35 2.113 9.057 -7.536 1.00 0.00 C ATOM 555 CD1 TYR A 35 1.789 10.146 -6.744 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.754 7.981 -6.950 1.00 0.00 C ATOM 557 CE1 TYR A 35 2.105 10.172 -5.409 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.071 7.989 -5.611 1.00 0.00 C ATOM 559 CZ TYR A 35 2.744 9.089 -4.838 1.00 0.00 C ATOM 560 OH TYR A 35 3.058 9.105 -3.498 1.00 0.00 O ATOM 0 H TYR A 35 0.127 10.816 -8.543 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.071 8.447 -10.082 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.227 8.217 -9.495 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.974 9.951 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.279 10.990 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.010 7.122 -7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.856 11.034 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.572 7.142 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 35 2.402 9.649 -3.015 1.00 0.00 H new ATOM 570 N GLN A 36 -1.004 8.184 -7.048 1.00 0.00 N ATOM 571 CA GLN A 36 -1.448 7.292 -5.976 1.00 0.00 C ATOM 572 C GLN A 36 -1.811 5.917 -6.521 1.00 0.00 C ATOM 573 O GLN A 36 -1.680 4.906 -5.832 1.00 0.00 O ATOM 574 CB GLN A 36 -2.649 7.897 -5.247 1.00 0.00 C ATOM 575 CG GLN A 36 -2.281 9.040 -4.315 1.00 0.00 C ATOM 576 CD GLN A 36 -2.293 10.386 -5.011 1.00 0.00 C ATOM 577 OE1 GLN A 36 -3.305 10.795 -5.582 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.164 11.085 -4.968 1.00 0.00 N ATOM 0 H GLN A 36 -1.347 9.141 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.623 7.175 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.367 8.257 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.146 7.116 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.980 9.061 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.290 8.859 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.349 10.708 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.112 11.998 -5.419 1.00 0.00 H new ATOM 587 N GLN A 37 -2.259 5.893 -7.767 1.00 0.00 N ATOM 588 CA GLN A 37 -2.633 4.647 -8.420 1.00 0.00 C ATOM 589 C GLN A 37 -1.420 3.733 -8.583 1.00 0.00 C ATOM 590 O GLN A 37 -1.565 2.521 -8.738 1.00 0.00 O ATOM 591 CB GLN A 37 -3.266 4.928 -9.784 1.00 0.00 C ATOM 592 CG GLN A 37 -4.385 3.965 -10.146 1.00 0.00 C ATOM 593 CD GLN A 37 -3.883 2.737 -10.879 1.00 0.00 C ATOM 594 OE1 GLN A 37 -3.499 1.744 -10.262 1.00 0.00 O ATOM 595 NE2 GLN A 37 -3.886 2.799 -12.206 1.00 0.00 N ATOM 0 H GLN A 37 -2.373 6.724 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.364 4.141 -7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.657 5.945 -9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.493 4.878 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.901 3.655 -9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.116 4.481 -10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.213 3.643 -12.676 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.561 2.003 -12.754 1.00 0.00 H new ATOM 604 N ASP A 38 -0.223 4.317 -8.539 1.00 0.00 N ATOM 605 CA ASP A 38 1.004 3.546 -8.672 1.00 0.00 C ATOM 606 C ASP A 38 1.515 3.120 -7.298 1.00 0.00 C ATOM 607 O ASP A 38 2.280 2.164 -7.175 1.00 0.00 O ATOM 608 CB ASP A 38 2.070 4.366 -9.402 1.00 0.00 C ATOM 609 CG ASP A 38 2.673 3.617 -10.574 1.00 0.00 C ATOM 610 OD1 ASP A 38 3.658 2.879 -10.363 1.00 0.00 O ATOM 611 OD2 ASP A 38 2.160 3.767 -11.703 1.00 0.00 O ATOM 0 H ASP A 38 -0.081 5.319 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 38 0.790 2.651 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.628 5.297 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.860 4.636 -8.701 1.00 0.00 H new ATOM 616 N LEU A 39 1.078 3.839 -6.267 1.00 0.00 N ATOM 617 CA LEU A 39 1.477 3.541 -4.900 1.00 0.00 C ATOM 618 C LEU A 39 0.552 2.498 -4.289 1.00 0.00 C ATOM 619 O LEU A 39 0.972 1.683 -3.468 1.00 0.00 O ATOM 620 CB LEU A 39 1.454 4.818 -4.058 1.00 0.00 C ATOM 621 CG LEU A 39 2.597 4.958 -3.053 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.971 6.423 -2.873 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.211 4.334 -1.720 1.00 0.00 C ATOM 0 H LEU A 39 0.445 4.634 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 39 2.491 3.141 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.475 5.677 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.509 4.860 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 39 3.467 4.428 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.786 6.505 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.288 6.838 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.107 6.977 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.036 4.442 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.328 4.837 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.992 3.276 -1.863 1.00 0.00 H new ATOM 635 N ASP A 40 -0.713 2.529 -4.697 1.00 0.00 N ATOM 636 CA ASP A 40 -1.699 1.584 -4.191 1.00 0.00 C ATOM 637 C ASP A 40 -1.578 0.241 -4.903 1.00 0.00 C ATOM 638 O ASP A 40 -1.942 -0.797 -4.353 1.00 0.00 O ATOM 639 CB ASP A 40 -3.111 2.144 -4.367 1.00 0.00 C ATOM 640 CG ASP A 40 -4.023 1.785 -3.210 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.651 2.064 -2.051 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.109 1.222 -3.463 1.00 0.00 O ATOM 0 H ASP A 40 -1.078 3.198 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.508 1.431 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.060 3.229 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.538 1.762 -5.295 1.00 0.00 H new ATOM 647 N ARG A 41 -1.062 0.268 -6.128 1.00 0.00 N ATOM 648 CA ARG A 41 -0.894 -0.950 -6.910 1.00 0.00 C ATOM 649 C ARG A 41 0.358 -1.707 -6.476 1.00 0.00 C ATOM 650 O ARG A 41 0.423 -2.931 -6.590 1.00 0.00 O ATOM 651 CB ARG A 41 -0.817 -0.618 -8.403 1.00 0.00 C ATOM 652 CG ARG A 41 0.451 0.117 -8.805 1.00 0.00 C ATOM 653 CD ARG A 41 1.527 -0.845 -9.281 1.00 0.00 C ATOM 654 NE ARG A 41 1.037 -1.745 -10.323 1.00 0.00 N ATOM 655 CZ ARG A 41 0.792 -1.364 -11.575 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.991 -0.105 -11.944 1.00 0.00 N ATOM 657 NH2 ARG A 41 0.348 -2.246 -12.460 1.00 0.00 N ATOM 0 H ARG A 41 -0.754 1.119 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.760 -1.588 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.886 -1.543 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.680 -0.010 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.223 0.830 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.824 0.691 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.377 -0.278 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.888 -1.432 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 41 0.873 -2.721 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.333 0.577 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.802 0.181 -12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.195 -3.215 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.160 -1.955 -13.419 1.00 0.00 H new ATOM 671 N GLU A 42 1.350 -0.974 -5.977 1.00 0.00 N ATOM 672 CA GLU A 42 2.594 -1.587 -5.529 1.00 0.00 C ATOM 673 C GLU A 42 2.503 -2.019 -4.070 1.00 0.00 C ATOM 674 O GLU A 42 3.301 -2.830 -3.606 1.00 0.00 O ATOM 675 CB GLU A 42 3.765 -0.621 -5.719 1.00 0.00 C ATOM 676 CG GLU A 42 5.123 -1.249 -5.458 1.00 0.00 C ATOM 677 CD GLU A 42 5.498 -1.240 -3.988 1.00 0.00 C ATOM 678 OE1 GLU A 42 4.896 -0.454 -3.227 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.392 -2.019 -3.599 1.00 0.00 O ATOM 0 H GLU A 42 1.316 0.040 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 42 2.765 -2.476 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.743 -0.234 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.634 0.231 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.120 -2.276 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.883 -0.712 -6.026 1.00 0.00 H new ATOM 686 N LEU A 43 1.520 -1.489 -3.353 1.00 0.00 N ATOM 687 CA LEU A 43 1.333 -1.850 -1.957 1.00 0.00 C ATOM 688 C LEU A 43 0.347 -3.005 -1.846 1.00 0.00 C ATOM 689 O LEU A 43 0.400 -3.792 -0.903 1.00 0.00 O ATOM 690 CB LEU A 43 0.856 -0.645 -1.139 1.00 0.00 C ATOM 691 CG LEU A 43 -0.598 -0.216 -1.359 1.00 0.00 C ATOM 692 CD1 LEU A 43 -1.563 -1.193 -0.703 1.00 0.00 C ATOM 693 CD2 LEU A 43 -0.814 1.190 -0.818 1.00 0.00 C ATOM 0 H LEU A 43 0.846 -0.813 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 43 2.292 -2.169 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.991 -0.873 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.502 0.202 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.797 -0.218 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.588 -0.863 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.424 -2.185 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.370 -1.231 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.850 1.486 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.593 1.207 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.153 1.885 -1.336 1.00 0.00 H new ATOM 705 N PHE A 44 -0.542 -3.109 -2.829 1.00 0.00 N ATOM 706 CA PHE A 44 -1.523 -4.180 -2.850 1.00 0.00 C ATOM 707 C PHE A 44 -0.835 -5.501 -3.173 1.00 0.00 C ATOM 708 O PHE A 44 -1.254 -6.560 -2.705 1.00 0.00 O ATOM 709 CB PHE A 44 -2.628 -3.872 -3.874 1.00 0.00 C ATOM 710 CG PHE A 44 -2.873 -4.977 -4.865 1.00 0.00 C ATOM 711 CD1 PHE A 44 -2.033 -5.144 -5.954 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.936 -5.851 -4.702 1.00 0.00 C ATOM 713 CE1 PHE A 44 -2.250 -6.161 -6.863 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.158 -6.870 -5.607 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.313 -7.026 -6.690 1.00 0.00 C ATOM 0 H PHE A 44 -0.601 -2.465 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.988 -4.261 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.556 -3.665 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.363 -2.964 -4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.199 -4.472 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.599 -5.734 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.589 -6.280 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.990 -7.544 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.484 -7.822 -7.399 1.00 0.00 H new ATOM 725 N LYS A 45 0.230 -5.432 -3.972 1.00 0.00 N ATOM 726 CA LYS A 45 0.970 -6.628 -4.346 1.00 0.00 C ATOM 727 C LYS A 45 1.515 -7.330 -3.106 1.00 0.00 C ATOM 728 O LYS A 45 1.717 -8.544 -3.112 1.00 0.00 O ATOM 729 CB LYS A 45 2.111 -6.282 -5.304 1.00 0.00 C ATOM 730 CG LYS A 45 3.059 -5.226 -4.765 1.00 0.00 C ATOM 731 CD LYS A 45 4.511 -5.586 -5.040 1.00 0.00 C ATOM 732 CE LYS A 45 5.015 -4.932 -6.316 1.00 0.00 C ATOM 733 NZ LYS A 45 4.907 -5.845 -7.487 1.00 0.00 N ATOM 0 H LYS A 45 0.594 -4.565 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 45 0.285 -7.305 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.677 -7.187 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.689 -5.933 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.829 -4.263 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.908 -5.114 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.130 -5.272 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.609 -6.668 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.443 -4.024 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.055 -4.632 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.261 -5.362 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.473 -6.700 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.912 -6.111 -7.629 1.00 0.00 H new ATOM 747 N LEU A 46 1.736 -6.565 -2.035 1.00 0.00 N ATOM 748 CA LEU A 46 2.239 -7.129 -0.792 1.00 0.00 C ATOM 749 C LEU A 46 1.277 -8.192 -0.279 1.00 0.00 C ATOM 750 O LEU A 46 1.661 -9.342 -0.064 1.00 0.00 O ATOM 751 CB LEU A 46 2.424 -6.029 0.258 1.00 0.00 C ATOM 752 CG LEU A 46 3.875 -5.756 0.658 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.648 -5.168 -0.513 1.00 0.00 C ATOM 754 CD2 LEU A 46 3.932 -4.824 1.860 1.00 0.00 C ATOM 0 H LEU A 46 1.574 -5.558 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 46 3.208 -7.590 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.988 -5.106 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.862 -6.301 1.151 1.00 0.00 H new ATOM 0 HG LEU A 46 4.340 -6.702 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.678 -4.980 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.637 -5.871 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.184 -4.231 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.972 -4.641 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.451 -3.878 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.414 -5.284 2.702 1.00 0.00 H new ATOM 766 N LYS A 47 0.019 -7.799 -0.097 1.00 0.00 N ATOM 767 CA LYS A 47 -1.008 -8.719 0.382 1.00 0.00 C ATOM 768 C LYS A 47 -0.993 -10.016 -0.425 1.00 0.00 C ATOM 769 O LYS A 47 -1.314 -11.085 0.093 1.00 0.00 O ATOM 770 CB LYS A 47 -2.389 -8.065 0.294 1.00 0.00 C ATOM 771 CG LYS A 47 -2.879 -7.498 1.617 1.00 0.00 C ATOM 772 CD LYS A 47 -1.966 -6.392 2.119 1.00 0.00 C ATOM 773 CE LYS A 47 -2.006 -5.178 1.204 1.00 0.00 C ATOM 774 NZ LYS A 47 -1.418 -3.973 1.852 1.00 0.00 N ATOM 0 H LYS A 47 -0.313 -6.851 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.793 -8.957 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.356 -7.264 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.108 -8.801 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.890 -7.110 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.930 -8.295 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.266 -6.100 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.944 -6.765 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.462 -5.398 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.038 -4.971 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.958 -3.130 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.456 -4.081 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.428 -3.865 1.552 1.00 0.00 H new ATOM 788 N GLN A 48 -0.611 -9.910 -1.695 1.00 0.00 N ATOM 789 CA GLN A 48 -0.547 -11.072 -2.571 1.00 0.00 C ATOM 790 C GLN A 48 0.670 -11.929 -2.237 1.00 0.00 C ATOM 791 O GLN A 48 0.593 -13.156 -2.229 1.00 0.00 O ATOM 792 CB GLN A 48 -0.498 -10.633 -4.038 1.00 0.00 C ATOM 793 CG GLN A 48 -1.658 -11.155 -4.868 1.00 0.00 C ATOM 794 CD GLN A 48 -1.501 -10.853 -6.346 1.00 0.00 C ATOM 795 OE1 GLN A 48 -1.510 -11.758 -7.180 1.00 0.00 O ATOM 796 NE2 GLN A 48 -1.354 -9.576 -6.676 1.00 0.00 N ATOM 0 H GLN A 48 -0.342 -9.032 -2.138 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.445 -11.669 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.491 -9.544 -4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.437 -10.976 -4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.744 -12.233 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.586 -10.712 -4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.353 -8.859 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.242 -9.312 -7.655 1.00 0.00 H new ATOM 805 N MET A 49 1.788 -11.271 -1.949 1.00 0.00 N ATOM 806 CA MET A 49 3.015 -11.979 -1.599 1.00 0.00 C ATOM 807 C MET A 49 2.889 -12.576 -0.205 1.00 0.00 C ATOM 808 O MET A 49 3.340 -13.691 0.051 1.00 0.00 O ATOM 809 CB MET A 49 4.233 -11.047 -1.654 1.00 0.00 C ATOM 810 CG MET A 49 4.074 -9.867 -2.600 1.00 0.00 C ATOM 811 SD MET A 49 5.653 -9.245 -3.210 1.00 0.00 S ATOM 812 CE MET A 49 5.457 -7.487 -2.924 1.00 0.00 C ATOM 0 H MET A 49 1.870 -10.254 -1.951 1.00 0.00 H new ATOM 0 HA MET A 49 3.163 -12.776 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.433 -10.670 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.106 -11.626 -1.957 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.455 -10.166 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.546 -9.064 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.055 -6.932 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.407 -7.215 -3.036 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.789 -7.243 -1.915 1.00 0.00 H new ATOM 822 N TYR A 50 2.263 -11.822 0.692 1.00 0.00 N ATOM 823 CA TYR A 50 2.067 -12.269 2.063 1.00 0.00 C ATOM 824 C TYR A 50 1.151 -13.487 2.109 1.00 0.00 C ATOM 825 O TYR A 50 1.252 -14.318 3.012 1.00 0.00 O ATOM 826 CB TYR A 50 1.479 -11.137 2.909 1.00 0.00 C ATOM 827 CG TYR A 50 2.518 -10.160 3.412 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.324 -10.476 4.498 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.693 -8.923 2.801 1.00 0.00 C ATOM 830 CE1 TYR A 50 4.277 -9.590 4.960 1.00 0.00 C ATOM 831 CE2 TYR A 50 3.643 -8.033 3.258 1.00 0.00 C ATOM 832 CZ TYR A 50 4.433 -8.369 4.337 1.00 0.00 C ATOM 833 OH TYR A 50 5.380 -7.483 4.795 1.00 0.00 O ATOM 0 H TYR A 50 1.883 -10.897 0.492 1.00 0.00 H new ATOM 0 HA TYR A 50 3.037 -12.552 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.740 -10.597 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.952 -11.566 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.203 -11.430 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.076 -8.655 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.897 -9.852 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.767 -7.076 2.772 1.00 0.00 H new ATOM 0 HH TYR A 50 6.128 -7.978 5.188 1.00 0.00 H new ATOM 843 N GLY A 51 0.259 -13.590 1.128 1.00 0.00 N ATOM 844 CA GLY A 51 -0.656 -14.713 1.077 1.00 0.00 C ATOM 845 C GLY A 51 -0.075 -15.913 0.350 1.00 0.00 C ATOM 846 O GLY A 51 -0.734 -16.946 0.224 1.00 0.00 O ATOM 0 H GLY A 51 0.155 -12.916 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.924 -15.004 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.576 -14.404 0.581 1.00 0.00 H new ATOM 850 N LYS A 52 1.158 -15.781 -0.133 1.00 0.00 N ATOM 851 CA LYS A 52 1.815 -16.868 -0.851 1.00 0.00 C ATOM 852 C LYS A 52 3.320 -16.882 -0.584 1.00 0.00 C ATOM 853 O LYS A 52 4.085 -17.481 -1.340 1.00 0.00 O ATOM 854 CB LYS A 52 1.556 -16.744 -2.352 1.00 0.00 C ATOM 855 CG LYS A 52 0.123 -17.060 -2.750 1.00 0.00 C ATOM 856 CD LYS A 52 -0.182 -18.541 -2.598 1.00 0.00 C ATOM 857 CE LYS A 52 -1.419 -18.938 -3.387 1.00 0.00 C ATOM 858 NZ LYS A 52 -2.643 -18.939 -2.539 1.00 0.00 N ATOM 0 H LYS A 52 1.720 -14.935 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 52 1.396 -17.807 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.798 -15.730 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.229 -17.416 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.564 -16.481 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.044 -16.757 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.672 -19.126 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.330 -18.777 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.555 -18.248 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.273 -19.930 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.464 -19.215 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.524 -19.616 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.797 -17.987 -2.151 1.00 0.00 H new ATOM 872 N ALA A 53 3.743 -16.224 0.493 1.00 0.00 N ATOM 873 CA ALA A 53 5.156 -16.172 0.847 1.00 0.00 C ATOM 874 C ALA A 53 5.356 -16.376 2.345 1.00 0.00 C ATOM 875 O ALA A 53 6.320 -15.878 2.924 1.00 0.00 O ATOM 876 CB ALA A 53 5.764 -14.849 0.409 1.00 0.00 C ATOM 0 H ALA A 53 3.128 -15.721 1.133 1.00 0.00 H new ATOM 0 HA ALA A 53 5.663 -16.983 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.819 -14.826 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.665 -14.743 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.244 -14.028 0.903 1.00 0.00 H new ATOM 882 N ASP A 54 4.438 -17.108 2.966 1.00 0.00 N ATOM 883 CA ASP A 54 4.516 -17.374 4.397 1.00 0.00 C ATOM 884 C ASP A 54 4.499 -16.073 5.191 1.00 0.00 C ATOM 885 O ASP A 54 5.548 -15.525 5.527 1.00 0.00 O ATOM 886 CB ASP A 54 5.782 -18.168 4.722 1.00 0.00 C ATOM 887 CG ASP A 54 5.615 -19.049 5.944 1.00 0.00 C ATOM 888 OD1 ASP A 54 5.034 -20.146 5.810 1.00 0.00 O ATOM 889 OD2 ASP A 54 6.065 -18.642 7.036 1.00 0.00 O ATOM 0 H ASP A 54 3.632 -17.527 2.502 1.00 0.00 H new ATOM 0 HA ASP A 54 3.645 -17.964 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.049 -18.787 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.609 -17.477 4.886 1.00 0.00 H new ATOM 894 N MET A 55 3.298 -15.582 5.488 1.00 0.00 N ATOM 895 CA MET A 55 3.139 -14.341 6.243 1.00 0.00 C ATOM 896 C MET A 55 4.031 -14.328 7.482 1.00 0.00 C ATOM 897 O MET A 55 4.453 -13.269 7.942 1.00 0.00 O ATOM 898 CB MET A 55 1.676 -14.157 6.654 1.00 0.00 C ATOM 899 CG MET A 55 1.122 -15.315 7.466 1.00 0.00 C ATOM 900 SD MET A 55 0.173 -16.476 6.463 1.00 0.00 S ATOM 901 CE MET A 55 -1.324 -15.533 6.180 1.00 0.00 C ATOM 0 H MET A 55 2.420 -16.025 5.217 1.00 0.00 H new ATOM 0 HA MET A 55 3.440 -13.516 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.583 -13.240 7.235 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.069 -14.029 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.945 -15.844 7.946 1.00 0.00 H new ATOM 0 HG3 MET A 55 0.487 -14.925 8.262 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.096 -16.189 5.778 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.667 -15.103 7.121 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.121 -14.733 5.468 1.00 0.00 H new ATOM 911 N ASN A 56 4.315 -15.512 8.014 1.00 0.00 N ATOM 912 CA ASN A 56 5.159 -15.635 9.197 1.00 0.00 C ATOM 913 C ASN A 56 6.637 -15.642 8.813 1.00 0.00 C ATOM 914 O ASN A 56 7.371 -16.576 9.138 1.00 0.00 O ATOM 915 CB ASN A 56 4.812 -16.912 9.966 1.00 0.00 C ATOM 916 CG ASN A 56 3.730 -16.685 11.005 1.00 0.00 C ATOM 917 OD1 ASN A 56 3.807 -17.198 12.121 1.00 0.00 O ATOM 918 ND2 ASN A 56 2.713 -15.912 10.641 1.00 0.00 N ATOM 0 H ASN A 56 3.973 -16.399 7.645 1.00 0.00 H new ATOM 0 HA ASN A 56 4.973 -14.773 9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.483 -17.678 9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.708 -17.293 10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.955 -15.723 11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.690 -15.507 9.705 1.00 0.00 H new ATOM 925 N THR A 57 7.067 -14.593 8.119 1.00 0.00 N ATOM 926 CA THR A 57 8.456 -14.475 7.691 1.00 0.00 C ATOM 927 C THR A 57 8.988 -13.071 7.957 1.00 0.00 C ATOM 928 O THR A 57 10.077 -12.901 8.504 1.00 0.00 O ATOM 929 CB THR A 57 8.585 -14.811 6.204 1.00 0.00 C ATOM 930 OG1 THR A 57 9.933 -14.710 5.782 1.00 0.00 O ATOM 931 CG2 THR A 57 7.757 -13.911 5.313 1.00 0.00 C ATOM 0 H THR A 57 6.473 -13.812 7.841 1.00 0.00 H new ATOM 0 HA THR A 57 9.050 -15.184 8.267 1.00 0.00 H new ATOM 0 HB THR A 57 8.216 -15.832 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.995 -14.930 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.894 -14.203 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.704 -14.003 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.075 -12.877 5.444 1.00 0.00 H new ATOM 939 N PHE A 58 8.208 -12.066 7.569 1.00 0.00 N ATOM 940 CA PHE A 58 8.598 -10.675 7.768 1.00 0.00 C ATOM 941 C PHE A 58 8.371 -10.254 9.218 1.00 0.00 C ATOM 942 O PHE A 58 7.788 -11.001 10.004 1.00 0.00 O ATOM 943 CB PHE A 58 7.808 -9.763 6.828 1.00 0.00 C ATOM 944 CG PHE A 58 8.518 -9.472 5.537 1.00 0.00 C ATOM 945 CD1 PHE A 58 8.357 -10.303 4.439 1.00 0.00 C ATOM 946 CD2 PHE A 58 9.346 -8.367 5.420 1.00 0.00 C ATOM 947 CE1 PHE A 58 9.009 -10.038 3.251 1.00 0.00 C ATOM 948 CE2 PHE A 58 10.001 -8.097 4.234 1.00 0.00 C ATOM 949 CZ PHE A 58 9.832 -8.933 3.147 1.00 0.00 C ATOM 0 H PHE A 58 7.303 -12.190 7.115 1.00 0.00 H new ATOM 0 HA PHE A 58 9.660 -10.582 7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.847 -10.227 6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.599 -8.823 7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.714 -11.168 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.481 -7.709 6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.876 -10.694 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.645 -7.233 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.342 -8.723 2.218 1.00 0.00 H new ATOM 959 N PRO A 59 8.833 -9.050 9.595 1.00 0.00 N ATOM 960 CA PRO A 59 8.686 -8.529 10.955 1.00 0.00 C ATOM 961 C PRO A 59 7.281 -7.992 11.233 1.00 0.00 C ATOM 962 O PRO A 59 7.122 -6.902 11.781 1.00 0.00 O ATOM 963 CB PRO A 59 9.716 -7.386 11.024 1.00 0.00 C ATOM 964 CG PRO A 59 10.443 -7.399 9.714 1.00 0.00 C ATOM 965 CD PRO A 59 9.544 -8.100 8.738 1.00 0.00 C ATOM 0 HA PRO A 59 8.844 -9.310 11.699 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.223 -6.427 11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.407 -7.534 11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.662 -6.384 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.397 -7.918 9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.862 -7.408 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.109 -8.604 7.954 1.00 0.00 H new ATOM 973 N ASN A 60 6.264 -8.764 10.857 1.00 0.00 N ATOM 974 CA ASN A 60 4.877 -8.366 11.072 1.00 0.00 C ATOM 975 C ASN A 60 4.614 -6.968 10.519 1.00 0.00 C ATOM 976 O ASN A 60 3.887 -6.177 11.122 1.00 0.00 O ATOM 977 CB ASN A 60 4.538 -8.408 12.564 1.00 0.00 C ATOM 978 CG ASN A 60 3.055 -8.595 12.816 1.00 0.00 C ATOM 979 OD1 ASN A 60 2.597 -9.700 13.105 1.00 0.00 O ATOM 980 ND2 ASN A 60 2.295 -7.511 12.704 1.00 0.00 N ATOM 0 H ASN A 60 6.376 -9.670 10.401 1.00 0.00 H new ATOM 0 HA ASN A 60 4.239 -9.071 10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.089 -9.221 13.036 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.870 -7.483 13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.289 -7.575 12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.718 -6.615 12.462 1.00 0.00 H new ATOM 987 N PHE A 61 5.210 -6.667 9.370 1.00 0.00 N ATOM 988 CA PHE A 61 5.037 -5.364 8.740 1.00 0.00 C ATOM 989 C PHE A 61 5.532 -4.250 9.659 1.00 0.00 C ATOM 990 O PHE A 61 4.822 -3.819 10.568 1.00 0.00 O ATOM 991 CB PHE A 61 3.564 -5.140 8.386 1.00 0.00 C ATOM 992 CG PHE A 61 3.261 -3.757 7.879 1.00 0.00 C ATOM 993 CD1 PHE A 61 4.150 -3.098 7.046 1.00 0.00 C ATOM 994 CD2 PHE A 61 2.086 -3.118 8.240 1.00 0.00 C ATOM 995 CE1 PHE A 61 3.873 -1.827 6.580 1.00 0.00 C ATOM 996 CE2 PHE A 61 1.803 -1.846 7.778 1.00 0.00 C ATOM 997 CZ PHE A 61 2.697 -1.200 6.947 1.00 0.00 C ATOM 0 H PHE A 61 5.816 -7.307 8.857 1.00 0.00 H new ATOM 0 HA PHE A 61 5.628 -5.344 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.268 -5.866 7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.955 -5.334 9.269 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.071 -3.583 6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.383 -3.619 8.889 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.574 -1.324 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.884 -1.358 8.067 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.478 -0.207 6.584 1.00 0.00 H new ATOM 1007 N THR A 62 6.755 -3.791 9.415 1.00 0.00 N ATOM 1008 CA THR A 62 7.346 -2.729 10.220 1.00 0.00 C ATOM 1009 C THR A 62 8.324 -1.898 9.392 1.00 0.00 C ATOM 1010 O THR A 62 9.312 -1.383 9.913 1.00 0.00 O ATOM 1011 CB THR A 62 8.059 -3.323 11.437 1.00 0.00 C ATOM 1012 OG1 THR A 62 8.298 -2.325 12.413 1.00 0.00 O ATOM 1013 CG2 THR A 62 9.389 -3.964 11.104 1.00 0.00 C ATOM 0 H THR A 62 7.355 -4.138 8.667 1.00 0.00 H new ATOM 0 HA THR A 62 6.545 -2.074 10.562 1.00 0.00 H new ATOM 0 HB THR A 62 7.388 -4.095 11.813 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.753 -2.724 13.184 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.838 -4.364 12.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.234 -4.773 10.390 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.054 -3.218 10.669 1.00 0.00 H new ATOM 1021 N PHE A 63 8.041 -1.775 8.098 1.00 0.00 N ATOM 1022 CA PHE A 63 8.897 -1.009 7.197 1.00 0.00 C ATOM 1023 C PHE A 63 9.144 0.399 7.735 1.00 0.00 C ATOM 1024 O PHE A 63 10.151 1.029 7.411 1.00 0.00 O ATOM 1025 CB PHE A 63 8.266 -0.929 5.805 1.00 0.00 C ATOM 1026 CG PHE A 63 7.728 -2.242 5.309 1.00 0.00 C ATOM 1027 CD1 PHE A 63 8.436 -3.418 5.510 1.00 0.00 C ATOM 1028 CD2 PHE A 63 6.516 -2.301 4.641 1.00 0.00 C ATOM 1029 CE1 PHE A 63 7.943 -4.626 5.054 1.00 0.00 C ATOM 1030 CE2 PHE A 63 6.019 -3.505 4.183 1.00 0.00 C ATOM 1031 CZ PHE A 63 6.734 -4.669 4.389 1.00 0.00 C ATOM 0 H PHE A 63 7.227 -2.195 7.650 1.00 0.00 H new ATOM 0 HA PHE A 63 9.855 -1.524 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.457 -0.199 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.011 -0.561 5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.383 -3.389 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.953 -1.394 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.503 -5.535 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.072 -3.537 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.348 -5.612 4.030 1.00 0.00 H new ATOM 1041 N GLU A 64 8.220 0.886 8.556 1.00 0.00 N ATOM 1042 CA GLU A 64 8.336 2.217 9.136 1.00 0.00 C ATOM 1043 C GLU A 64 9.232 2.204 10.371 1.00 0.00 C ATOM 1044 O GLU A 64 9.870 3.206 10.696 1.00 0.00 O ATOM 1045 CB GLU A 64 6.952 2.756 9.503 1.00 0.00 C ATOM 1046 CG GLU A 64 6.261 1.961 10.599 1.00 0.00 C ATOM 1047 CD GLU A 64 4.772 2.234 10.665 1.00 0.00 C ATOM 1048 OE1 GLU A 64 4.033 1.712 9.802 1.00 0.00 O ATOM 1049 OE2 GLU A 64 4.341 2.969 11.579 1.00 0.00 O ATOM 0 H GLU A 64 7.381 0.377 8.835 1.00 0.00 H new ATOM 0 HA GLU A 64 8.791 2.870 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.048 3.793 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.323 2.755 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.425 0.897 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.714 2.204 11.560 1.00 0.00 H new ATOM 1056 N ASP A 65 9.273 1.067 11.060 1.00 0.00 N ATOM 1057 CA ASP A 65 10.089 0.934 12.261 1.00 0.00 C ATOM 1058 C ASP A 65 11.349 0.113 11.985 1.00 0.00 C ATOM 1059 O ASP A 65 11.402 -0.655 11.025 1.00 0.00 O ATOM 1060 CB ASP A 65 9.274 0.289 13.385 1.00 0.00 C ATOM 1061 CG ASP A 65 8.907 1.279 14.474 1.00 0.00 C ATOM 1062 OD1 ASP A 65 9.701 2.210 14.721 1.00 0.00 O ATOM 1063 OD2 ASP A 65 7.827 1.121 15.080 1.00 0.00 O ATOM 0 H ASP A 65 8.752 0.227 10.808 1.00 0.00 H new ATOM 0 HA ASP A 65 10.397 1.932 12.572 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.364 -0.143 12.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.846 -0.531 13.820 1.00 0.00 H new ATOM 1068 N PRO A 66 12.385 0.270 12.830 1.00 0.00 N ATOM 1069 CA PRO A 66 13.654 -0.454 12.678 1.00 0.00 C ATOM 1070 C PRO A 66 13.490 -1.967 12.806 1.00 0.00 C ATOM 1071 O PRO A 66 14.398 -2.724 12.462 1.00 0.00 O ATOM 1072 CB PRO A 66 14.524 0.083 13.823 1.00 0.00 C ATOM 1073 CG PRO A 66 13.872 1.354 14.248 1.00 0.00 C ATOM 1074 CD PRO A 66 12.405 1.169 13.995 1.00 0.00 C ATOM 0 HA PRO A 66 14.083 -0.297 11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.573 -0.629 14.647 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.547 0.258 13.491 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.064 1.558 15.301 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.262 2.201 13.683 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.899 0.729 14.854 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.909 2.116 13.783 1.00 0.00 H new ATOM 1082 N LYS A 67 12.330 -2.399 13.312 1.00 0.00 N ATOM 1083 CA LYS A 67 12.030 -3.824 13.501 1.00 0.00 C ATOM 1084 C LYS A 67 12.525 -4.322 14.858 1.00 0.00 C ATOM 1085 O LYS A 67 12.050 -5.339 15.363 1.00 0.00 O ATOM 1086 CB LYS A 67 12.636 -4.680 12.380 1.00 0.00 C ATOM 1087 CG LYS A 67 12.444 -4.096 10.988 1.00 0.00 C ATOM 1088 CD LYS A 67 13.735 -4.131 10.183 1.00 0.00 C ATOM 1089 CE LYS A 67 13.945 -2.838 9.411 1.00 0.00 C ATOM 1090 NZ LYS A 67 15.198 -2.869 8.607 1.00 0.00 N ATOM 0 H LYS A 67 11.576 -1.776 13.601 1.00 0.00 H new ATOM 0 HA LYS A 67 10.945 -3.926 13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.702 -4.805 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.188 -5.673 12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.671 -4.656 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.093 -3.067 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.579 -4.297 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.709 -4.971 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.094 -2.667 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.981 -2.001 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.305 -1.970 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.013 -3.007 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.153 -3.652 7.924 1.00 0.00 H new ATOM 1104 N PHE A 68 13.479 -3.605 15.448 1.00 0.00 N ATOM 1105 CA PHE A 68 14.029 -3.984 16.746 1.00 0.00 C ATOM 1106 C PHE A 68 14.566 -5.413 16.724 1.00 0.00 C ATOM 1107 O PHE A 68 14.672 -6.060 17.766 1.00 0.00 O ATOM 1108 CB PHE A 68 12.959 -3.849 17.832 1.00 0.00 C ATOM 1109 CG PHE A 68 12.795 -2.447 18.344 1.00 0.00 C ATOM 1110 CD1 PHE A 68 12.761 -1.374 17.468 1.00 0.00 C ATOM 1111 CD2 PHE A 68 12.673 -2.203 19.703 1.00 0.00 C ATOM 1112 CE1 PHE A 68 12.609 -0.083 17.939 1.00 0.00 C ATOM 1113 CE2 PHE A 68 12.521 -0.914 20.178 1.00 0.00 C ATOM 1114 CZ PHE A 68 12.488 0.147 19.295 1.00 0.00 C ATOM 0 H PHE A 68 13.886 -2.760 15.048 1.00 0.00 H new ATOM 0 HA PHE A 68 14.857 -3.311 16.968 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.005 -4.196 17.435 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.214 -4.504 18.665 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.854 -1.548 16.406 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.697 -3.029 20.398 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.585 0.745 17.246 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.428 -0.737 21.239 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.368 1.155 19.664 1.00 0.00 H new ATOM 1124 N GLU A 69 14.900 -5.902 15.533 1.00 0.00 N ATOM 1125 CA GLU A 69 15.424 -7.257 15.382 1.00 0.00 C ATOM 1126 C GLU A 69 14.513 -8.277 16.060 1.00 0.00 C ATOM 1127 O GLU A 69 14.964 -9.342 16.482 1.00 0.00 O ATOM 1128 CB GLU A 69 16.835 -7.348 15.965 1.00 0.00 C ATOM 1129 CG GLU A 69 17.651 -8.503 15.409 1.00 0.00 C ATOM 1130 CD GLU A 69 18.886 -8.795 16.237 1.00 0.00 C ATOM 1131 OE1 GLU A 69 19.927 -8.144 16.002 1.00 0.00 O ATOM 1132 OE2 GLU A 69 18.815 -9.675 17.121 1.00 0.00 O ATOM 0 H GLU A 69 14.818 -5.382 14.660 1.00 0.00 H new ATOM 0 HA GLU A 69 15.462 -7.486 14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.361 -6.414 15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.765 -7.452 17.048 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.027 -9.396 15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.950 -8.273 14.386 1.00 0.00 H new ATOM 1139 N VAL A 70 13.231 -7.942 16.165 1.00 0.00 N ATOM 1140 CA VAL A 70 12.258 -8.827 16.794 1.00 0.00 C ATOM 1141 C VAL A 70 11.862 -9.966 15.861 1.00 0.00 C ATOM 1142 O VAL A 70 11.495 -11.050 16.313 1.00 0.00 O ATOM 1143 CB VAL A 70 10.991 -8.058 17.216 1.00 0.00 C ATOM 1144 CG1 VAL A 70 11.322 -7.028 18.285 1.00 0.00 C ATOM 1145 CG2 VAL A 70 10.339 -7.397 16.009 1.00 0.00 C ATOM 0 H VAL A 70 12.842 -7.064 15.822 1.00 0.00 H new ATOM 0 HA VAL A 70 12.736 -9.241 17.682 1.00 0.00 H new ATOM 0 HB VAL A 70 10.281 -8.769 17.638 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.415 -6.495 18.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.737 -7.531 19.158 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.051 -6.319 17.894 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.446 -6.859 16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.041 -6.698 15.554 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.063 -8.160 15.281 1.00 0.00 H new ATOM 1155 N VAL A 71 11.932 -9.708 14.556 1.00 0.00 N ATOM 1156 CA VAL A 71 11.580 -10.704 13.545 1.00 0.00 C ATOM 1157 C VAL A 71 10.271 -11.408 13.895 1.00 0.00 C ATOM 1158 O VAL A 71 10.070 -12.576 13.559 1.00 0.00 O ATOM 1159 CB VAL A 71 12.699 -11.752 13.363 1.00 0.00 C ATOM 1160 CG1 VAL A 71 12.874 -12.593 14.620 1.00 0.00 C ATOM 1161 CG2 VAL A 71 12.409 -12.637 12.160 1.00 0.00 C ATOM 0 H VAL A 71 12.231 -8.812 14.172 1.00 0.00 H new ATOM 0 HA VAL A 71 11.453 -10.167 12.605 1.00 0.00 H new ATOM 0 HB VAL A 71 13.634 -11.220 13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.669 -13.322 14.462 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.136 -11.946 15.457 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.943 -13.114 14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.208 -13.370 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.461 -13.154 12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.350 -12.022 11.262 1.00 0.00 H new ATOM 1171 N GLU A 72 9.386 -10.683 14.569 1.00 0.00 N ATOM 1172 CA GLU A 72 8.092 -11.228 14.968 1.00 0.00 C ATOM 1173 C GLU A 72 8.264 -12.401 15.927 1.00 0.00 C ATOM 1174 O GLU A 72 7.488 -13.357 15.898 1.00 0.00 O ATOM 1175 CB GLU A 72 7.301 -11.673 13.735 1.00 0.00 C ATOM 1176 CG GLU A 72 5.811 -11.826 13.992 1.00 0.00 C ATOM 1177 CD GLU A 72 5.072 -12.418 12.807 1.00 0.00 C ATOM 1178 OE1 GLU A 72 5.407 -12.057 11.659 1.00 0.00 O ATOM 1179 OE2 GLU A 72 4.161 -13.242 13.027 1.00 0.00 O ATOM 0 H GLU A 72 9.540 -9.715 14.851 1.00 0.00 H new ATOM 0 HA GLU A 72 7.539 -10.442 15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.451 -10.947 12.936 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.700 -12.624 13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.660 -12.462 14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.385 -10.851 14.231 1.00 0.00 H new ATOM 1186 N LYS A 73 9.283 -12.322 16.776 1.00 0.00 N ATOM 1187 CA LYS A 73 9.554 -13.378 17.746 1.00 0.00 C ATOM 1188 C LYS A 73 10.283 -12.820 18.967 1.00 0.00 C ATOM 1189 O LYS A 73 11.348 -13.311 19.345 1.00 0.00 O ATOM 1190 CB LYS A 73 10.383 -14.491 17.100 1.00 0.00 C ATOM 1191 CG LYS A 73 9.541 -15.618 16.520 1.00 0.00 C ATOM 1192 CD LYS A 73 9.545 -16.840 17.425 1.00 0.00 C ATOM 1193 CE LYS A 73 8.884 -16.545 18.762 1.00 0.00 C ATOM 1194 NZ LYS A 73 7.422 -16.832 18.735 1.00 0.00 N ATOM 0 H LYS A 73 9.935 -11.538 16.813 1.00 0.00 H new ATOM 0 HA LYS A 73 8.601 -13.792 18.075 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.997 -14.062 16.308 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.065 -14.903 17.844 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.517 -15.272 16.378 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.924 -15.891 15.537 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.023 -17.660 16.933 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.571 -17.169 17.590 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.357 -17.143 19.541 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.044 -15.499 19.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.009 -16.618 19.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.966 -16.243 18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.269 -17.836 18.511 1.00 0.00 H new ATOM 1208 N PRO A 74 9.717 -11.780 19.604 1.00 0.00 N ATOM 1209 CA PRO A 74 10.318 -11.156 20.786 1.00 0.00 C ATOM 1210 C PRO A 74 10.203 -12.036 22.027 1.00 0.00 C ATOM 1211 O PRO A 74 9.478 -13.032 22.029 1.00 0.00 O ATOM 1212 CB PRO A 74 9.502 -9.876 20.962 1.00 0.00 C ATOM 1213 CG PRO A 74 8.176 -10.189 20.361 1.00 0.00 C ATOM 1214 CD PRO A 74 8.448 -11.132 19.219 1.00 0.00 C ATOM 0 HA PRO A 74 11.387 -10.983 20.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.407 -9.608 22.014 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.975 -9.032 20.460 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.513 -10.647 21.095 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.684 -9.282 20.009 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.646 -11.860 19.099 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.540 -10.600 18.272 1.00 0.00 H new ATOM 1222 N GLN A 75 10.921 -11.662 23.080 1.00 0.00 N ATOM 1223 CA GLN A 75 10.899 -12.417 24.327 1.00 0.00 C ATOM 1224 C GLN A 75 11.386 -13.845 24.108 1.00 0.00 C ATOM 1225 O GLN A 75 10.627 -14.711 23.671 1.00 0.00 O ATOM 1226 CB GLN A 75 9.486 -12.432 24.913 1.00 0.00 C ATOM 1227 CG GLN A 75 8.937 -11.047 25.213 1.00 0.00 C ATOM 1228 CD GLN A 75 8.105 -11.012 26.481 1.00 0.00 C ATOM 1229 OE1 GLN A 75 8.629 -10.804 27.575 1.00 0.00 O ATOM 1230 NE2 GLN A 75 6.801 -11.218 26.339 1.00 0.00 N ATOM 0 H GLN A 75 11.525 -10.841 23.095 1.00 0.00 H new ATOM 0 HA GLN A 75 11.572 -11.927 25.031 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.817 -12.935 24.215 1.00 0.00 H new ATOM 0 HB3 GLN A 75 9.489 -13.019 25.831 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.765 -10.344 25.306 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.328 -10.712 24.374 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.409 -11.387 25.412 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.191 -11.208 27.156 1.00 0.00 H new ATOM 1239 N SER A 76 12.658 -14.085 24.414 1.00 0.00 N ATOM 1240 CA SER A 76 13.246 -15.409 24.251 1.00 0.00 C ATOM 1241 C SER A 76 12.513 -16.440 25.102 1.00 0.00 C ATOM 1242 O SER A 76 11.582 -16.046 25.836 1.00 0.00 O ATOM 1243 CB SER A 76 14.729 -15.380 24.629 1.00 0.00 C ATOM 1244 OG SER A 76 15.235 -16.692 24.808 1.00 0.00 O ATOM 1245 OXT SER A 76 12.875 -17.633 25.028 1.00 0.00 O ATOM 0 H SER A 76 13.300 -13.380 24.776 1.00 0.00 H new ATOM 0 HA SER A 76 13.149 -15.696 23.204 1.00 0.00 H new ATOM 0 HB2 SER A 76 15.296 -14.871 23.850 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.863 -14.807 25.546 1.00 0.00 H new ATOM 0 HG SER A 76 14.557 -17.344 24.534 1.00 0.00 H new TER 1251 SER A 76