USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 617 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -2.86 K(o=-2.9,f=-6.5!) USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 13 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.787 USER MOD Single : A 31 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.294 K(o=-0.29,f=-5.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0477 K(o=-0.048,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.720 5.849 -13.707 1.00 0.00 N ATOM 60 CA GLY A 7 5.423 6.502 -13.654 1.00 0.00 C ATOM 61 C GLY A 7 4.762 6.299 -12.289 1.00 0.00 C ATOM 62 O GLY A 7 5.076 5.345 -11.579 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.540 7.568 -13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.779 6.103 -14.437 1.00 0.00 H new ATOM 66 N LEU A 8 3.858 7.211 -11.963 1.00 0.00 N ATOM 67 CA LEU A 8 3.150 7.144 -10.696 1.00 0.00 C ATOM 68 C LEU A 8 2.786 5.689 -10.397 1.00 0.00 C ATOM 69 O LEU A 8 3.345 5.080 -9.486 1.00 0.00 O ATOM 70 CB LEU A 8 1.947 8.090 -10.704 1.00 0.00 C ATOM 71 CG LEU A 8 2.265 9.580 -10.569 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.989 10.422 -10.645 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.060 9.858 -9.292 1.00 0.00 C ATOM 0 H LEU A 8 3.600 8.001 -12.555 1.00 0.00 H new ATOM 0 HA LEU A 8 3.790 7.486 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.397 7.939 -11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.281 7.806 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 8 2.894 9.872 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.243 11.477 -10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.499 10.255 -11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.315 10.134 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.273 10.925 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.477 9.546 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.997 9.302 -9.319 1.00 0.00 H new ATOM 85 N ARG A 9 1.851 5.173 -11.181 1.00 0.00 N ATOM 86 CA ARG A 9 1.406 3.800 -11.011 1.00 0.00 C ATOM 87 C ARG A 9 2.601 2.884 -10.739 1.00 0.00 C ATOM 88 O ARG A 9 2.516 1.977 -9.912 1.00 0.00 O ATOM 89 CB ARG A 9 0.665 3.303 -12.255 1.00 0.00 C ATOM 90 CG ARG A 9 -0.720 2.765 -11.889 1.00 0.00 C ATOM 91 CD ARG A 9 -0.843 1.282 -12.246 1.00 0.00 C ATOM 92 NE ARG A 9 -0.535 1.079 -13.679 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.515 -0.118 -14.281 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.785 -1.226 -13.578 1.00 0.00 N ATOM 95 NH2 ARG A 9 -0.225 -0.207 -15.586 1.00 0.00 N ATOM 0 H ARG A 9 1.389 5.681 -11.936 1.00 0.00 H new ATOM 0 HA ARG A 9 0.724 3.776 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.565 4.117 -12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.247 2.520 -12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.897 2.902 -10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.486 3.334 -12.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.161 0.694 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.851 0.930 -12.029 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.325 1.902 -14.244 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.006 -1.158 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.770 -2.137 -14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.019 0.636 -16.121 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.210 -1.118 -16.044 1.00 0.00 H new ATOM 109 N GLU A 10 3.686 3.153 -11.449 1.00 0.00 N ATOM 110 CA GLU A 10 4.897 2.365 -11.294 1.00 0.00 C ATOM 111 C GLU A 10 5.504 2.592 -9.908 1.00 0.00 C ATOM 112 O GLU A 10 5.923 1.643 -9.247 1.00 0.00 O ATOM 113 CB GLU A 10 5.907 2.690 -12.396 1.00 0.00 C ATOM 114 CG GLU A 10 6.008 1.543 -13.403 1.00 0.00 C ATOM 115 CD GLU A 10 7.302 0.751 -13.206 1.00 0.00 C ATOM 116 OE1 GLU A 10 8.368 1.316 -13.531 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.195 -0.402 -12.734 1.00 0.00 O ATOM 0 H GLU A 10 3.752 3.906 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 10 4.636 1.311 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.609 3.604 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.885 2.878 -11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.151 0.879 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.972 1.941 -14.417 1.00 0.00 H new ATOM 124 N GLN A 11 5.532 3.855 -9.510 1.00 0.00 N ATOM 125 CA GLN A 11 6.081 4.219 -8.215 1.00 0.00 C ATOM 126 C GLN A 11 5.400 3.416 -7.105 1.00 0.00 C ATOM 127 O GLN A 11 6.059 2.673 -6.378 1.00 0.00 O ATOM 128 CB GLN A 11 5.947 5.722 -7.965 1.00 0.00 C ATOM 129 CG GLN A 11 7.103 6.491 -8.609 1.00 0.00 C ATOM 130 CD GLN A 11 7.356 7.813 -7.880 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.109 7.890 -6.924 1.00 0.00 O ATOM 132 NE2 GLN A 11 6.685 8.845 -8.385 1.00 0.00 N ATOM 0 H GLN A 11 5.183 4.639 -10.061 1.00 0.00 H new ATOM 0 HA GLN A 11 7.144 3.977 -8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.999 6.078 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.930 5.916 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.006 5.881 -8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.875 6.687 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.071 8.710 -9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.785 9.771 -7.969 1.00 0.00 H new ATOM 141 N VAL A 12 4.091 3.592 -7.008 1.00 0.00 N ATOM 142 CA VAL A 12 3.314 2.893 -5.999 1.00 0.00 C ATOM 143 C VAL A 12 3.482 1.384 -6.187 1.00 0.00 C ATOM 144 O VAL A 12 3.836 0.673 -5.247 1.00 0.00 O ATOM 145 CB VAL A 12 1.853 3.343 -6.059 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.045 2.738 -4.910 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.749 4.870 -6.058 1.00 0.00 C ATOM 0 H VAL A 12 3.548 4.209 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 12 3.676 3.139 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 12 1.429 2.979 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.010 3.074 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.078 1.650 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.470 3.058 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.700 5.163 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.199 5.265 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.274 5.271 -6.925 1.00 0.00 H new ATOM 157 N GLN A 13 3.222 0.939 -7.408 1.00 0.00 N ATOM 158 CA GLN A 13 3.340 -0.473 -7.730 1.00 0.00 C ATOM 159 C GLN A 13 4.632 -1.045 -7.143 1.00 0.00 C ATOM 160 O GLN A 13 4.720 -2.242 -6.875 1.00 0.00 O ATOM 161 CB GLN A 13 3.279 -0.697 -9.243 1.00 0.00 C ATOM 162 CG GLN A 13 1.835 -0.881 -9.712 1.00 0.00 C ATOM 163 CD GLN A 13 1.775 -1.734 -10.981 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.351 -1.293 -12.036 1.00 0.00 O ATOM 165 NE2 GLN A 13 2.222 -2.976 -10.819 1.00 0.00 N ATOM 0 H GLN A 13 2.930 1.531 -8.186 1.00 0.00 H new ATOM 0 HA GLN A 13 2.497 -0.999 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.727 0.153 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.866 -1.576 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.250 -1.354 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.384 0.093 -9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.563 -3.280 -9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.223 -3.624 -11.606 1.00 0.00 H new ATOM 174 N ASP A 14 5.604 -0.163 -6.961 1.00 0.00 N ATOM 175 CA ASP A 14 6.887 -0.565 -6.411 1.00 0.00 C ATOM 176 C ASP A 14 6.883 -0.334 -4.899 1.00 0.00 C ATOM 177 O ASP A 14 7.345 -1.182 -4.137 1.00 0.00 O ATOM 178 CB ASP A 14 8.027 0.260 -7.012 1.00 0.00 C ATOM 179 CG ASP A 14 9.287 -0.535 -7.358 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.358 -1.705 -6.923 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.153 0.045 -8.049 1.00 0.00 O ATOM 0 H ASP A 14 5.528 0.829 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 14 7.040 -1.618 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.664 0.749 -7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.295 1.049 -6.309 1.00 0.00 H new ATOM 186 N LEU A 15 6.357 0.818 -4.509 1.00 0.00 N ATOM 187 CA LEU A 15 6.287 1.171 -3.101 1.00 0.00 C ATOM 188 C LEU A 15 5.841 -0.050 -2.295 1.00 0.00 C ATOM 189 O LEU A 15 6.636 -0.644 -1.569 1.00 0.00 O ATOM 190 CB LEU A 15 5.398 2.399 -2.901 1.00 0.00 C ATOM 191 CG LEU A 15 5.105 2.786 -1.449 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.385 3.214 -0.727 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.019 3.860 -1.376 1.00 0.00 C ATOM 0 H LEU A 15 5.975 1.519 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 15 7.272 1.455 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.870 3.249 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.449 2.223 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 15 4.722 1.906 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.149 3.484 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.098 2.390 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.820 4.074 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.830 4.116 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.349 4.748 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.102 3.482 -1.828 1.00 0.00 H new ATOM 205 N PHE A 16 4.569 -0.389 -2.451 1.00 0.00 N ATOM 206 CA PHE A 16 4.007 -1.529 -1.746 1.00 0.00 C ATOM 207 C PHE A 16 4.895 -2.765 -1.907 1.00 0.00 C ATOM 208 O PHE A 16 5.008 -3.575 -0.989 1.00 0.00 O ATOM 209 CB PHE A 16 2.640 -1.812 -2.373 1.00 0.00 C ATOM 210 CG PHE A 16 1.605 -0.712 -2.133 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.567 -0.063 -0.938 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.723 -0.381 -3.115 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.606 0.959 -0.715 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.237 0.640 -2.892 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.275 1.289 -1.697 1.00 0.00 C ATOM 0 H PHE A 16 3.912 0.105 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 16 3.929 -1.307 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.766 -1.950 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.256 -2.751 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.268 -0.325 -0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.754 -0.895 -4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.575 1.474 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.938 0.902 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.005 2.067 -1.528 1.00 0.00 H new ATOM 225 N ASN A 17 5.501 -2.870 -3.080 1.00 0.00 N ATOM 226 CA ASN A 17 6.375 -3.993 -3.373 1.00 0.00 C ATOM 227 C ASN A 17 7.596 -3.937 -2.453 1.00 0.00 C ATOM 228 O ASN A 17 7.915 -4.914 -1.777 1.00 0.00 O ATOM 229 CB ASN A 17 6.870 -3.944 -4.819 1.00 0.00 C ATOM 230 CG ASN A 17 6.629 -5.279 -5.527 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.549 -5.977 -5.922 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.344 -5.594 -5.666 1.00 0.00 N ATOM 0 H ASN A 17 5.404 -2.196 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 17 5.808 -4.911 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.357 -3.146 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.934 -3.707 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.079 -6.465 -6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.623 -4.965 -5.312 1.00 0.00 H new ATOM 239 N LYS A 18 8.247 -2.783 -2.456 1.00 0.00 N ATOM 240 CA LYS A 18 9.426 -2.586 -1.631 1.00 0.00 C ATOM 241 C LYS A 18 9.042 -2.733 -0.157 1.00 0.00 C ATOM 242 O LYS A 18 9.615 -3.553 0.558 1.00 0.00 O ATOM 243 CB LYS A 18 10.095 -1.250 -1.962 1.00 0.00 C ATOM 244 CG LYS A 18 11.618 -1.361 -1.865 1.00 0.00 C ATOM 245 CD LYS A 18 12.147 -0.599 -0.648 1.00 0.00 C ATOM 246 CE LYS A 18 13.657 -0.379 -0.753 1.00 0.00 C ATOM 247 NZ LYS A 18 14.301 -0.565 0.566 1.00 0.00 N ATOM 0 H LYS A 18 7.980 -1.974 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 18 10.172 -3.351 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.813 -0.937 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.738 -0.481 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.906 -2.410 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.074 -0.965 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.640 0.363 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.919 -1.155 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.083 -1.077 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.859 0.626 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.326 -0.412 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.907 0.118 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.124 -1.532 0.906 1.00 0.00 H new ATOM 261 N LYS A 19 8.076 -1.924 0.253 1.00 0.00 N ATOM 262 CA LYS A 19 7.608 -1.954 1.628 1.00 0.00 C ATOM 263 C LYS A 19 7.522 -3.407 2.102 1.00 0.00 C ATOM 264 O LYS A 19 7.769 -3.698 3.271 1.00 0.00 O ATOM 265 CB LYS A 19 6.294 -1.184 1.764 1.00 0.00 C ATOM 266 CG LYS A 19 6.552 0.311 1.962 1.00 0.00 C ATOM 267 CD LYS A 19 6.909 0.618 3.418 1.00 0.00 C ATOM 268 CE LYS A 19 7.496 2.024 3.555 1.00 0.00 C ATOM 269 NZ LYS A 19 8.179 2.177 4.859 1.00 0.00 N ATOM 0 H LYS A 19 7.605 -1.244 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 19 8.317 -1.446 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.685 -1.337 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.726 -1.574 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.363 0.633 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.667 0.878 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.019 0.530 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.627 -0.117 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.201 2.210 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.703 2.766 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.571 3.137 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.497 2.020 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.949 1.482 4.931 1.00 0.00 H new ATOM 283 N TYR A 20 7.169 -4.279 1.169 1.00 0.00 N ATOM 284 CA TYR A 20 7.047 -5.694 1.476 1.00 0.00 C ATOM 285 C TYR A 20 8.348 -6.241 2.068 1.00 0.00 C ATOM 286 O TYR A 20 8.356 -6.762 3.182 1.00 0.00 O ATOM 287 CB TYR A 20 6.774 -6.393 0.143 1.00 0.00 C ATOM 288 CG TYR A 20 5.991 -7.701 0.275 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.810 -7.729 0.988 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.465 -8.852 -0.320 1.00 0.00 C ATOM 291 CE1 TYR A 20 4.072 -8.960 1.113 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.728 -10.083 -0.195 1.00 0.00 C ATOM 293 CZ TYR A 20 4.568 -10.076 0.515 1.00 0.00 C ATOM 294 OH TYR A 20 3.872 -11.238 0.632 1.00 0.00 O ATOM 0 H TYR A 20 6.964 -4.033 0.201 1.00 0.00 H new ATOM 0 HA TYR A 20 6.255 -5.861 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.220 -5.714 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.725 -6.599 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.439 -6.828 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.389 -8.830 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.147 -8.996 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.088 -10.991 -0.655 1.00 0.00 H new ATOM 0 HH TYR A 20 4.344 -11.952 0.154 1.00 0.00 H new ATOM 304 N GLY A 21 9.415 -6.104 1.296 1.00 0.00 N ATOM 305 CA GLY A 21 10.719 -6.578 1.730 1.00 0.00 C ATOM 306 C GLY A 21 10.942 -6.285 3.215 1.00 0.00 C ATOM 307 O GLY A 21 11.603 -7.054 3.910 1.00 0.00 O ATOM 0 H GLY A 21 9.404 -5.672 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.798 -7.650 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.499 -6.098 1.140 1.00 0.00 H new ATOM 311 N GLU A 22 10.378 -5.170 3.656 1.00 0.00 N ATOM 312 CA GLU A 22 10.508 -4.766 5.046 1.00 0.00 C ATOM 313 C GLU A 22 9.582 -5.603 5.931 1.00 0.00 C ATOM 314 O GLU A 22 10.020 -6.170 6.931 1.00 0.00 O ATOM 315 CB GLU A 22 10.221 -3.272 5.211 1.00 0.00 C ATOM 316 CG GLU A 22 11.190 -2.432 4.377 1.00 0.00 C ATOM 317 CD GLU A 22 10.858 -0.942 4.485 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.693 -0.480 5.634 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.776 -0.300 3.416 1.00 0.00 O ATOM 0 H GLU A 22 9.830 -4.534 3.076 1.00 0.00 H new ATOM 0 HA GLU A 22 11.536 -4.942 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.196 -3.059 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.306 -2.996 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.211 -2.606 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.142 -2.744 3.334 1.00 0.00 H new ATOM 326 N ALA A 23 8.320 -5.654 5.531 1.00 0.00 N ATOM 327 CA ALA A 23 7.329 -6.412 6.275 1.00 0.00 C ATOM 328 C ALA A 23 7.821 -7.850 6.452 1.00 0.00 C ATOM 329 O ALA A 23 7.399 -8.545 7.375 1.00 0.00 O ATOM 330 CB ALA A 23 5.983 -6.341 5.552 1.00 0.00 C ATOM 0 H ALA A 23 7.961 -5.182 4.701 1.00 0.00 H new ATOM 0 HA ALA A 23 7.188 -5.987 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.240 -6.910 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.664 -5.301 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.085 -6.761 4.551 1.00 0.00 H new ATOM 336 N LEU A 24 8.707 -8.253 5.553 1.00 0.00 N ATOM 337 CA LEU A 24 9.261 -9.596 5.599 1.00 0.00 C ATOM 338 C LEU A 24 10.672 -9.541 6.188 1.00 0.00 C ATOM 339 O LEU A 24 11.152 -10.525 6.750 1.00 0.00 O ATOM 340 CB LEU A 24 9.197 -10.249 4.217 1.00 0.00 C ATOM 341 CG LEU A 24 7.815 -10.301 3.563 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.915 -10.751 2.104 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.860 -11.183 4.370 1.00 0.00 C ATOM 0 H LEU A 24 9.055 -7.674 4.789 1.00 0.00 H new ATOM 0 HA LEU A 24 8.666 -10.232 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.872 -9.711 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.576 -11.268 4.300 1.00 0.00 H new ATOM 0 HG LEU A 24 7.400 -9.293 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.919 -10.779 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.538 -10.050 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.360 -11.745 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.885 -11.203 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.259 -12.196 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.755 -10.779 5.377 1.00 0.00 H new ATOM 355 N GLY A 25 11.296 -8.382 6.040 1.00 0.00 N ATOM 356 CA GLY A 25 12.642 -8.187 6.551 1.00 0.00 C ATOM 357 C GLY A 25 13.672 -8.250 5.421 1.00 0.00 C ATOM 358 O GLY A 25 14.788 -7.752 5.564 1.00 0.00 O ATOM 0 H GLY A 25 10.895 -7.569 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.708 -7.222 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.866 -8.951 7.295 1.00 0.00 H new ATOM 362 N ILE A 26 13.261 -8.867 4.323 1.00 0.00 N ATOM 363 CA ILE A 26 14.134 -9.003 3.169 1.00 0.00 C ATOM 364 C ILE A 26 14.827 -7.665 2.900 1.00 0.00 C ATOM 365 O ILE A 26 14.413 -6.631 3.421 1.00 0.00 O ATOM 366 CB ILE A 26 13.355 -9.545 1.969 1.00 0.00 C ATOM 367 CG1 ILE A 26 13.220 -11.067 2.045 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.991 -9.091 0.653 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.971 -11.544 1.302 1.00 0.00 C ATOM 0 H ILE A 26 12.335 -9.278 4.208 1.00 0.00 H new ATOM 0 HA ILE A 26 14.917 -9.734 3.367 1.00 0.00 H new ATOM 0 HB ILE A 26 12.347 -9.131 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.105 -11.536 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.169 -11.380 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.418 -9.490 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.992 -8.002 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.016 -9.458 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.899 -12.629 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.086 -11.092 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 26 12.037 -11.251 0.254 1.00 0.00 H new ATOM 381 N LYS A 27 15.871 -7.729 2.086 1.00 0.00 N ATOM 382 CA LYS A 27 16.625 -6.536 1.741 1.00 0.00 C ATOM 383 C LYS A 27 16.353 -6.171 0.280 1.00 0.00 C ATOM 384 O LYS A 27 16.366 -4.995 -0.082 1.00 0.00 O ATOM 385 CB LYS A 27 18.109 -6.730 2.060 1.00 0.00 C ATOM 386 CG LYS A 27 18.423 -6.295 3.493 1.00 0.00 C ATOM 387 CD LYS A 27 19.330 -5.064 3.506 1.00 0.00 C ATOM 388 CE LYS A 27 18.910 -4.084 4.604 1.00 0.00 C ATOM 389 NZ LYS A 27 18.217 -2.915 4.017 1.00 0.00 N ATOM 0 H LYS A 27 16.212 -8.589 1.656 1.00 0.00 H new ATOM 0 HA LYS A 27 16.300 -5.691 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.379 -7.777 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.714 -6.153 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.496 -6.073 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.906 -7.113 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.364 -5.371 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.290 -4.568 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.253 -4.585 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.787 -3.753 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.939 -2.260 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.856 -2.428 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.369 -3.234 3.507 1.00 0.00 H new ATOM 403 N TYR A 28 16.112 -7.199 -0.519 1.00 0.00 N ATOM 404 CA TYR A 28 15.837 -7.001 -1.932 1.00 0.00 C ATOM 405 C TYR A 28 14.345 -6.763 -2.172 1.00 0.00 C ATOM 406 O TYR A 28 13.521 -7.038 -1.301 1.00 0.00 O ATOM 407 CB TYR A 28 16.253 -8.298 -2.629 1.00 0.00 C ATOM 408 CG TYR A 28 15.797 -9.567 -1.905 1.00 0.00 C ATOM 409 CD1 TYR A 28 14.516 -10.045 -2.092 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.667 -10.233 -1.065 1.00 0.00 C ATOM 411 CE1 TYR A 28 14.088 -11.240 -1.411 1.00 0.00 C ATOM 412 CE2 TYR A 28 16.238 -11.427 -0.384 1.00 0.00 C ATOM 413 CZ TYR A 28 14.970 -11.871 -0.591 1.00 0.00 C ATOM 414 OH TYR A 28 14.564 -12.999 0.053 1.00 0.00 O ATOM 0 H TYR A 28 16.101 -8.173 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 28 16.376 -6.132 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.845 -8.302 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.339 -8.316 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.835 -9.524 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.669 -9.858 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.089 -11.626 -1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.908 -11.958 0.276 1.00 0.00 H new ATOM 0 HH TYR A 28 15.298 -13.343 0.604 1.00 0.00 H new ATOM 424 N PRO A 29 14.035 -6.240 -3.389 1.00 0.00 N ATOM 425 CA PRO A 29 12.657 -5.962 -3.754 1.00 0.00 C ATOM 426 C PRO A 29 11.904 -7.254 -4.079 1.00 0.00 C ATOM 427 O PRO A 29 12.282 -7.984 -4.993 1.00 0.00 O ATOM 428 CB PRO A 29 12.748 -5.014 -4.939 1.00 0.00 C ATOM 429 CG PRO A 29 14.159 -5.163 -5.485 1.00 0.00 C ATOM 430 CD PRO A 29 14.985 -5.902 -4.445 1.00 0.00 C ATOM 0 HA PRO A 29 12.090 -5.509 -2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.007 -5.265 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.554 -3.986 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.148 -5.714 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.593 -4.185 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.444 -6.797 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.794 -5.278 -4.065 1.00 0.00 H new ATOM 438 N VAL A 30 10.851 -7.496 -3.311 1.00 0.00 N ATOM 439 CA VAL A 30 10.042 -8.687 -3.505 1.00 0.00 C ATOM 440 C VAL A 30 8.675 -8.284 -4.063 1.00 0.00 C ATOM 441 O VAL A 30 8.262 -7.133 -3.931 1.00 0.00 O ATOM 442 CB VAL A 30 9.946 -9.473 -2.196 1.00 0.00 C ATOM 443 CG1 VAL A 30 9.366 -10.869 -2.436 1.00 0.00 C ATOM 444 CG2 VAL A 30 11.308 -9.557 -1.505 1.00 0.00 C ATOM 0 H VAL A 30 10.540 -6.888 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 30 10.507 -9.351 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 30 9.267 -8.937 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.308 -11.407 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.367 -10.780 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.008 -11.416 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.211 -10.121 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.019 -10.058 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.666 -8.552 -1.283 1.00 0.00 H new ATOM 454 N GLN A 31 8.012 -9.255 -4.673 1.00 0.00 N ATOM 455 CA GLN A 31 6.700 -9.016 -5.251 1.00 0.00 C ATOM 456 C GLN A 31 5.614 -9.166 -4.184 1.00 0.00 C ATOM 457 O GLN A 31 5.816 -9.848 -3.180 1.00 0.00 O ATOM 458 CB GLN A 31 6.442 -9.954 -6.432 1.00 0.00 C ATOM 459 CG GLN A 31 6.958 -9.347 -7.738 1.00 0.00 C ATOM 460 CD GLN A 31 6.163 -9.868 -8.937 1.00 0.00 C ATOM 461 OE1 GLN A 31 6.049 -11.061 -9.168 1.00 0.00 O ATOM 462 NE2 GLN A 31 5.622 -8.911 -9.685 1.00 0.00 N ATOM 0 H GLN A 31 8.358 -10.208 -4.780 1.00 0.00 H new ATOM 0 HA GLN A 31 6.672 -7.994 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.931 -10.912 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.374 -10.153 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.884 -8.260 -7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.013 -9.589 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.756 -7.931 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.073 -9.157 -10.509 1.00 0.00 H new ATOM 471 N VAL A 32 4.487 -8.519 -4.437 1.00 0.00 N ATOM 472 CA VAL A 32 3.369 -8.572 -3.510 1.00 0.00 C ATOM 473 C VAL A 32 2.215 -9.345 -4.153 1.00 0.00 C ATOM 474 O VAL A 32 1.870 -9.104 -5.309 1.00 0.00 O ATOM 475 CB VAL A 32 2.975 -7.156 -3.083 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.656 -7.164 -2.308 1.00 0.00 C ATOM 477 CG2 VAL A 32 4.089 -6.501 -2.264 1.00 0.00 C ATOM 0 H VAL A 32 4.323 -7.955 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 32 3.651 -9.104 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 32 2.829 -6.562 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.399 -6.146 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.866 -7.571 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.762 -7.781 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.784 -5.496 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.281 -7.095 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.997 -6.445 -2.864 1.00 0.00 H new ATOM 487 N PRO A 33 1.636 -10.281 -3.355 1.00 0.00 N ATOM 488 CA PRO A 33 0.529 -11.091 -3.835 1.00 0.00 C ATOM 489 C PRO A 33 -0.767 -10.277 -3.879 1.00 0.00 C ATOM 490 O PRO A 33 -1.667 -10.493 -3.069 1.00 0.00 O ATOM 491 CB PRO A 33 0.458 -12.268 -2.875 1.00 0.00 C ATOM 492 CG PRO A 33 1.220 -11.839 -1.632 1.00 0.00 C ATOM 493 CD PRO A 33 2.018 -10.593 -1.981 1.00 0.00 C ATOM 0 HA PRO A 33 0.673 -11.437 -4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.576 -12.513 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.902 -13.160 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.530 -11.634 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.884 -12.636 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.781 -9.769 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.090 -10.773 -1.899 1.00 0.00 H new ATOM 501 N TYR A 34 -0.819 -9.359 -4.833 1.00 0.00 N ATOM 502 CA TYR A 34 -1.989 -8.513 -4.993 1.00 0.00 C ATOM 503 C TYR A 34 -3.255 -9.354 -5.163 1.00 0.00 C ATOM 504 O TYR A 34 -4.233 -9.162 -4.443 1.00 0.00 O ATOM 505 CB TYR A 34 -1.752 -7.705 -6.271 1.00 0.00 C ATOM 506 CG TYR A 34 -0.602 -6.701 -6.169 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.601 -5.752 -5.167 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.435 -6.745 -7.078 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.481 -4.807 -5.071 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.518 -5.800 -6.982 1.00 0.00 C ATOM 511 CZ TYR A 34 1.487 -4.878 -5.983 1.00 0.00 C ATOM 512 OH TYR A 34 2.510 -3.986 -5.892 1.00 0.00 O ATOM 0 H TYR A 34 -0.070 -9.183 -5.503 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.128 -7.880 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.548 -8.393 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.667 -7.169 -6.525 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.412 -5.718 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.435 -7.488 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.493 -4.059 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.336 -5.823 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 34 3.157 -4.156 -6.608 1.00 0.00 H new ATOM 522 N LYS A 35 -3.196 -10.268 -6.120 1.00 0.00 N ATOM 523 CA LYS A 35 -4.326 -11.139 -6.394 1.00 0.00 C ATOM 524 C LYS A 35 -4.833 -11.738 -5.080 1.00 0.00 C ATOM 525 O LYS A 35 -5.937 -11.428 -4.637 1.00 0.00 O ATOM 526 CB LYS A 35 -3.953 -12.187 -7.444 1.00 0.00 C ATOM 527 CG LYS A 35 -5.140 -12.492 -8.360 1.00 0.00 C ATOM 528 CD LYS A 35 -6.170 -13.373 -7.649 1.00 0.00 C ATOM 529 CE LYS A 35 -7.183 -13.943 -8.643 1.00 0.00 C ATOM 530 NZ LYS A 35 -8.461 -14.250 -7.961 1.00 0.00 N ATOM 0 H LYS A 35 -2.383 -10.424 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.150 -10.570 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.113 -11.828 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.626 -13.102 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.609 -11.560 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.788 -12.993 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.662 -14.188 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.690 -12.790 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.355 -13.227 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.782 -14.847 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.138 -14.636 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.294 -14.950 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.850 -13.380 -7.544 1.00 0.00 H new ATOM 544 N ARG A 36 -4.000 -12.586 -4.494 1.00 0.00 N ATOM 545 CA ARG A 36 -4.350 -13.232 -3.240 1.00 0.00 C ATOM 546 C ARG A 36 -4.775 -12.187 -2.206 1.00 0.00 C ATOM 547 O ARG A 36 -5.639 -12.451 -1.370 1.00 0.00 O ATOM 548 CB ARG A 36 -3.172 -14.036 -2.687 1.00 0.00 C ATOM 549 CG ARG A 36 -2.558 -14.925 -3.771 1.00 0.00 C ATOM 550 CD ARG A 36 -2.132 -16.277 -3.195 1.00 0.00 C ATOM 551 NE ARG A 36 -1.156 -16.926 -4.098 1.00 0.00 N ATOM 552 CZ ARG A 36 -1.492 -17.617 -5.196 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.782 -17.753 -5.534 1.00 0.00 N ATOM 554 NH2 ARG A 36 -0.539 -18.173 -5.956 1.00 0.00 N ATOM 0 H ARG A 36 -3.084 -12.841 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.179 -13.912 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.414 -13.356 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.507 -14.652 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.280 -15.079 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.695 -14.425 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.691 -16.138 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.004 -16.918 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.165 -16.842 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.508 -17.330 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.038 -18.279 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.443 -18.070 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.795 -18.699 -6.792 1.00 0.00 H new ATOM 568 N ILE A 37 -4.149 -11.023 -2.296 1.00 0.00 N ATOM 569 CA ILE A 37 -4.451 -9.938 -1.378 1.00 0.00 C ATOM 570 C ILE A 37 -5.831 -9.365 -1.710 1.00 0.00 C ATOM 571 O ILE A 37 -6.475 -8.755 -0.857 1.00 0.00 O ATOM 572 CB ILE A 37 -3.332 -8.894 -1.395 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.171 -9.321 -0.494 1.00 0.00 C ATOM 574 CG2 ILE A 37 -3.868 -7.510 -1.023 1.00 0.00 C ATOM 575 CD1 ILE A 37 -0.949 -8.428 -0.716 1.00 0.00 C ATOM 0 H ILE A 37 -3.434 -10.807 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.496 -10.307 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.943 -8.826 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.478 -9.270 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.910 -10.359 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.053 -6.787 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.634 -7.212 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.299 -7.544 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.138 -8.752 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.630 -8.500 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.207 -7.394 -0.487 1.00 0.00 H new ATOM 587 N LYS A 38 -6.244 -9.582 -2.950 1.00 0.00 N ATOM 588 CA LYS A 38 -7.535 -9.095 -3.404 1.00 0.00 C ATOM 589 C LYS A 38 -8.631 -10.053 -2.933 1.00 0.00 C ATOM 590 O LYS A 38 -9.721 -9.621 -2.561 1.00 0.00 O ATOM 591 CB LYS A 38 -7.522 -8.873 -4.918 1.00 0.00 C ATOM 592 CG LYS A 38 -8.222 -7.564 -5.286 1.00 0.00 C ATOM 593 CD LYS A 38 -8.526 -7.507 -6.785 1.00 0.00 C ATOM 594 CE LYS A 38 -9.895 -6.874 -7.043 1.00 0.00 C ATOM 595 NZ LYS A 38 -10.551 -7.516 -8.204 1.00 0.00 N ATOM 0 H LYS A 38 -5.707 -10.088 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.751 -8.121 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.493 -8.853 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.017 -9.707 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.149 -7.471 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.592 -6.720 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.753 -6.931 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.502 -8.513 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.523 -6.979 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.780 -5.806 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.479 -7.075 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.957 -7.394 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.678 -8.530 -8.014 1.00 0.00 H new ATOM 609 N SER A 39 -8.304 -11.337 -2.964 1.00 0.00 N ATOM 610 CA SER A 39 -9.247 -12.360 -2.545 1.00 0.00 C ATOM 611 C SER A 39 -9.275 -12.452 -1.018 1.00 0.00 C ATOM 612 O SER A 39 -10.344 -12.537 -0.417 1.00 0.00 O ATOM 613 CB SER A 39 -8.892 -13.718 -3.153 1.00 0.00 C ATOM 614 OG SER A 39 -9.416 -13.867 -4.470 1.00 0.00 O ATOM 0 H SER A 39 -7.399 -11.692 -3.273 1.00 0.00 H new ATOM 0 HA SER A 39 -10.238 -12.080 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.808 -13.831 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.280 -14.513 -2.516 1.00 0.00 H new ATOM 0 HG SER A 39 -9.166 -14.746 -4.824 1.00 0.00 H new ATOM 620 N ASN A 40 -8.085 -12.432 -0.435 1.00 0.00 N ATOM 621 CA ASN A 40 -7.960 -12.513 1.011 1.00 0.00 C ATOM 622 C ASN A 40 -7.249 -11.260 1.527 1.00 0.00 C ATOM 623 O ASN A 40 -6.071 -11.049 1.243 1.00 0.00 O ATOM 624 CB ASN A 40 -7.132 -13.731 1.425 1.00 0.00 C ATOM 625 CG ASN A 40 -7.462 -14.158 2.856 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.331 -13.606 3.511 1.00 0.00 O ATOM 627 ND2 ASN A 40 -6.722 -15.168 3.304 1.00 0.00 N ATOM 0 H ASN A 40 -7.200 -12.361 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.962 -12.598 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.327 -14.557 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.070 -13.497 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.866 -15.526 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.011 -15.585 2.703 1.00 0.00 H new ATOM 634 N PRO A 41 -8.015 -10.440 2.296 1.00 0.00 N ATOM 635 CA PRO A 41 -7.471 -9.214 2.854 1.00 0.00 C ATOM 636 C PRO A 41 -6.544 -9.513 4.035 1.00 0.00 C ATOM 637 O PRO A 41 -5.681 -8.704 4.372 1.00 0.00 O ATOM 638 CB PRO A 41 -8.685 -8.388 3.247 1.00 0.00 C ATOM 639 CG PRO A 41 -9.846 -9.365 3.324 1.00 0.00 C ATOM 640 CD PRO A 41 -9.413 -10.658 2.653 1.00 0.00 C ATOM 0 HA PRO A 41 -6.848 -8.669 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.527 -7.893 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.880 -7.607 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.123 -9.548 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.725 -8.953 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.522 -11.509 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.019 -10.869 1.772 1.00 0.00 H new ATOM 648 N GLY A 42 -6.755 -10.678 4.631 1.00 0.00 N ATOM 649 CA GLY A 42 -5.949 -11.094 5.766 1.00 0.00 C ATOM 650 C GLY A 42 -4.492 -11.314 5.354 1.00 0.00 C ATOM 651 O GLY A 42 -3.588 -11.217 6.182 1.00 0.00 O ATOM 0 H GLY A 42 -7.472 -11.346 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.999 -10.337 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.354 -12.014 6.186 1.00 0.00 H new ATOM 655 N SER A 43 -4.311 -11.606 4.074 1.00 0.00 N ATOM 656 CA SER A 43 -2.979 -11.841 3.542 1.00 0.00 C ATOM 657 C SER A 43 -2.007 -10.791 4.083 1.00 0.00 C ATOM 658 O SER A 43 -1.182 -11.089 4.945 1.00 0.00 O ATOM 659 CB SER A 43 -2.986 -11.821 2.012 1.00 0.00 C ATOM 660 OG SER A 43 -3.096 -13.130 1.461 1.00 0.00 O ATOM 0 H SER A 43 -5.064 -11.685 3.390 1.00 0.00 H new ATOM 0 HA SER A 43 -2.651 -12.830 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.817 -11.209 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.071 -11.352 1.652 1.00 0.00 H new ATOM 0 HG SER A 43 -3.099 -13.074 0.483 1.00 0.00 H new ATOM 666 N VAL A 44 -2.136 -9.583 3.554 1.00 0.00 N ATOM 667 CA VAL A 44 -1.279 -8.487 3.973 1.00 0.00 C ATOM 668 C VAL A 44 -2.146 -7.293 4.375 1.00 0.00 C ATOM 669 O VAL A 44 -2.909 -6.772 3.563 1.00 0.00 O ATOM 670 CB VAL A 44 -0.278 -8.153 2.865 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.290 -6.744 3.046 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.842 -9.193 2.806 1.00 0.00 C ATOM 0 H VAL A 44 -2.821 -9.339 2.839 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.693 -8.772 4.847 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.810 -8.180 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.999 -6.532 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.522 -6.017 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.799 -6.677 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.539 -8.932 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.370 -9.213 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.416 -10.176 2.606 1.00 0.00 H new ATOM 682 N ILE A 45 -2.000 -6.893 5.630 1.00 0.00 N ATOM 683 CA ILE A 45 -2.761 -5.769 6.151 1.00 0.00 C ATOM 684 C ILE A 45 -1.998 -4.472 5.876 1.00 0.00 C ATOM 685 O ILE A 45 -0.821 -4.356 6.213 1.00 0.00 O ATOM 686 CB ILE A 45 -3.093 -5.986 7.628 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.154 -7.477 7.964 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.383 -5.259 8.013 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.881 -7.712 9.289 1.00 0.00 C ATOM 0 H ILE A 45 -1.366 -7.327 6.301 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.721 -5.689 5.641 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.289 -5.554 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.666 -8.013 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.144 -7.882 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.596 -5.430 9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.265 -4.190 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.208 -5.638 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.910 -8.780 9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.353 -7.195 10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.899 -7.328 9.219 1.00 0.00 H new ATOM 701 N ILE A 46 -2.700 -3.528 5.265 1.00 0.00 N ATOM 702 CA ILE A 46 -2.104 -2.244 4.940 1.00 0.00 C ATOM 703 C ILE A 46 -2.782 -1.149 5.767 1.00 0.00 C ATOM 704 O ILE A 46 -3.999 -0.984 5.706 1.00 0.00 O ATOM 705 CB ILE A 46 -2.154 -1.995 3.432 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.076 -2.804 2.707 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.057 -0.501 3.118 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.099 -2.524 1.203 1.00 0.00 C ATOM 0 H ILE A 46 -3.676 -3.628 4.987 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.047 -2.237 5.205 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.120 -2.339 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.095 -2.555 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.233 -3.868 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.095 -0.353 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.890 0.024 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.117 -0.108 3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.323 -3.111 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.073 -2.797 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.917 -1.464 1.027 1.00 0.00 H new ATOM 720 N GLU A 47 -1.964 -0.428 6.520 1.00 0.00 N ATOM 721 CA GLU A 47 -2.469 0.646 7.357 1.00 0.00 C ATOM 722 C GLU A 47 -1.553 1.868 7.262 1.00 0.00 C ATOM 723 O GLU A 47 -0.421 1.765 6.793 1.00 0.00 O ATOM 724 CB GLU A 47 -2.621 0.186 8.808 1.00 0.00 C ATOM 725 CG GLU A 47 -3.996 -0.441 9.044 1.00 0.00 C ATOM 726 CD GLU A 47 -4.939 0.549 9.732 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.603 0.959 10.864 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.974 0.872 9.110 1.00 0.00 O ATOM 0 H GLU A 47 -0.955 -0.567 6.568 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.458 0.928 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.842 -0.538 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.485 1.035 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.424 -0.756 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.891 -1.336 9.658 1.00 0.00 H new ATOM 735 N GLY A 48 -2.077 2.998 7.716 1.00 0.00 N ATOM 736 CA GLY A 48 -1.321 4.238 7.689 1.00 0.00 C ATOM 737 C GLY A 48 -1.612 5.029 6.412 1.00 0.00 C ATOM 738 O GLY A 48 -1.217 6.188 6.291 1.00 0.00 O ATOM 0 H GLY A 48 -3.016 3.080 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.574 4.842 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.255 4.020 7.751 1.00 0.00 H new ATOM 742 N LEU A 49 -2.301 4.372 5.490 1.00 0.00 N ATOM 743 CA LEU A 49 -2.650 4.999 4.227 1.00 0.00 C ATOM 744 C LEU A 49 -3.258 6.377 4.497 1.00 0.00 C ATOM 745 O LEU A 49 -3.641 6.680 5.626 1.00 0.00 O ATOM 746 CB LEU A 49 -3.553 4.080 3.403 1.00 0.00 C ATOM 747 CG LEU A 49 -2.840 3.122 2.446 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.817 2.095 1.869 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.104 3.892 1.348 1.00 0.00 C ATOM 0 H LEU A 49 -2.627 3.411 5.593 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.757 5.157 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.161 3.491 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.237 4.700 2.823 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.089 2.570 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.285 1.427 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.257 1.515 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.607 2.611 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.606 3.188 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.819 4.487 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.362 4.551 1.800 1.00 0.00 H new ATOM 761 N PRO A 50 -3.330 7.196 3.414 1.00 0.00 N ATOM 762 CA PRO A 50 -3.885 8.535 3.524 1.00 0.00 C ATOM 763 C PRO A 50 -5.410 8.488 3.633 1.00 0.00 C ATOM 764 O PRO A 50 -6.020 7.441 3.421 1.00 0.00 O ATOM 765 CB PRO A 50 -3.400 9.264 2.281 1.00 0.00 C ATOM 766 CG PRO A 50 -2.983 8.182 1.298 1.00 0.00 C ATOM 767 CD PRO A 50 -2.886 6.871 2.062 1.00 0.00 C ATOM 0 HA PRO A 50 -3.560 9.053 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.189 9.889 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.563 9.922 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.710 8.100 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.025 8.430 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.516 6.103 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.866 6.487 2.062 1.00 0.00 H new ATOM 775 N PRO A 51 -5.998 9.667 3.973 1.00 0.00 N ATOM 776 CA PRO A 51 -7.441 9.770 4.113 1.00 0.00 C ATOM 777 C PRO A 51 -8.125 9.784 2.744 1.00 0.00 C ATOM 778 O PRO A 51 -7.820 10.628 1.903 1.00 0.00 O ATOM 779 CB PRO A 51 -7.668 11.048 4.904 1.00 0.00 C ATOM 780 CG PRO A 51 -6.384 11.852 4.776 1.00 0.00 C ATOM 781 CD PRO A 51 -5.308 10.927 4.232 1.00 0.00 C ATOM 0 HA PRO A 51 -7.876 8.915 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.518 11.605 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.888 10.827 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.530 12.701 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.087 12.255 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.863 11.329 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.499 10.795 4.951 1.00 0.00 H new ATOM 789 N GLY A 52 -9.036 8.839 2.565 1.00 0.00 N ATOM 790 CA GLY A 52 -9.766 8.732 1.313 1.00 0.00 C ATOM 791 C GLY A 52 -9.180 7.629 0.430 1.00 0.00 C ATOM 792 O GLY A 52 -9.738 7.306 -0.618 1.00 0.00 O ATOM 0 H GLY A 52 -9.285 8.141 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.816 8.521 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.730 9.684 0.784 1.00 0.00 H new ATOM 796 N ILE A 53 -8.063 7.081 0.885 1.00 0.00 N ATOM 797 CA ILE A 53 -7.396 6.020 0.149 1.00 0.00 C ATOM 798 C ILE A 53 -7.324 4.766 1.023 1.00 0.00 C ATOM 799 O ILE A 53 -6.477 4.670 1.909 1.00 0.00 O ATOM 800 CB ILE A 53 -6.033 6.496 -0.357 1.00 0.00 C ATOM 801 CG1 ILE A 53 -6.141 7.873 -1.014 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.405 5.462 -1.294 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.780 8.344 -1.529 1.00 0.00 C ATOM 0 H ILE A 53 -7.603 7.352 1.754 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.967 5.756 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.368 6.600 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.851 7.831 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.531 8.593 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.437 5.825 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.271 4.521 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.060 5.302 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.886 9.325 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.079 8.408 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.404 7.634 -2.266 1.00 0.00 H new ATOM 815 N PRO A 54 -8.249 3.811 0.734 1.00 0.00 N ATOM 816 CA PRO A 54 -8.299 2.567 1.483 1.00 0.00 C ATOM 817 C PRO A 54 -7.157 1.635 1.074 1.00 0.00 C ATOM 818 O PRO A 54 -6.370 1.963 0.187 1.00 0.00 O ATOM 819 CB PRO A 54 -9.673 1.987 1.192 1.00 0.00 C ATOM 820 CG PRO A 54 -10.162 2.685 -0.067 1.00 0.00 C ATOM 821 CD PRO A 54 -9.268 3.891 -0.309 1.00 0.00 C ATOM 0 HA PRO A 54 -8.163 2.715 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.618 0.908 1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.355 2.161 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.125 2.006 -0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.200 2.996 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.821 3.860 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.831 4.822 -0.242 1.00 0.00 H new ATOM 829 N PHE A 55 -7.103 0.490 1.739 1.00 0.00 N ATOM 830 CA PHE A 55 -6.071 -0.492 1.455 1.00 0.00 C ATOM 831 C PHE A 55 -6.460 -1.368 0.263 1.00 0.00 C ATOM 832 O PHE A 55 -7.109 -2.399 0.431 1.00 0.00 O ATOM 833 CB PHE A 55 -5.939 -1.374 2.698 1.00 0.00 C ATOM 834 CG PHE A 55 -5.438 -2.790 2.407 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.582 -3.009 1.373 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.849 -3.829 3.182 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.117 -4.323 1.102 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.384 -5.144 2.911 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.528 -5.363 1.877 1.00 0.00 C ATOM 0 H PHE A 55 -7.757 0.221 2.474 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.136 0.012 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.256 -0.895 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.909 -1.437 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.256 -2.183 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.529 -3.655 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.437 -4.497 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.710 -5.970 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.174 -6.363 1.671 1.00 0.00 H new ATOM 849 N ARG A 56 -6.048 -0.925 -0.916 1.00 0.00 N ATOM 850 CA ARG A 56 -6.345 -1.656 -2.136 1.00 0.00 C ATOM 851 C ARG A 56 -5.255 -1.410 -3.181 1.00 0.00 C ATOM 852 O ARG A 56 -4.315 -0.656 -2.937 1.00 0.00 O ATOM 853 CB ARG A 56 -7.699 -1.236 -2.713 1.00 0.00 C ATOM 854 CG ARG A 56 -8.845 -1.676 -1.800 1.00 0.00 C ATOM 855 CD ARG A 56 -9.012 -3.197 -1.824 1.00 0.00 C ATOM 856 NE ARG A 56 -10.321 -3.571 -1.244 1.00 0.00 N ATOM 857 CZ ARG A 56 -10.693 -4.831 -0.980 1.00 0.00 C ATOM 858 NH1 ARG A 56 -9.858 -5.845 -1.243 1.00 0.00 N ATOM 859 NH2 ARG A 56 -11.900 -5.077 -0.454 1.00 0.00 N ATOM 0 H ARG A 56 -5.511 -0.069 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.381 -2.717 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.725 -0.154 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.829 -1.675 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.650 -1.344 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.772 -1.200 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.941 -3.563 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.207 -3.669 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.981 -2.823 -1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.939 -5.658 -1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.141 -6.804 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.536 -4.305 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.183 -6.036 -0.253 1.00 0.00 H new ATOM 873 N LYS A 57 -5.417 -2.062 -4.324 1.00 0.00 N ATOM 874 CA LYS A 57 -4.459 -1.924 -5.406 1.00 0.00 C ATOM 875 C LYS A 57 -4.457 -0.475 -5.899 1.00 0.00 C ATOM 876 O LYS A 57 -5.478 0.208 -5.832 1.00 0.00 O ATOM 877 CB LYS A 57 -4.743 -2.948 -6.507 1.00 0.00 C ATOM 878 CG LYS A 57 -3.619 -3.982 -6.597 1.00 0.00 C ATOM 879 CD LYS A 57 -3.649 -4.708 -7.944 1.00 0.00 C ATOM 880 CE LYS A 57 -2.544 -4.194 -8.868 1.00 0.00 C ATOM 881 NZ LYS A 57 -2.349 -5.120 -10.007 1.00 0.00 N ATOM 0 H LYS A 57 -6.198 -2.687 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.451 -2.142 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.689 -3.451 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.850 -2.438 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.655 -3.489 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.719 -4.705 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.527 -5.780 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.620 -4.564 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.803 -3.202 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.613 -4.093 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.595 -4.757 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.081 -6.059 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.234 -5.196 -10.548 1.00 0.00 H new ATOM 895 N PRO A 58 -3.269 -0.038 -6.396 1.00 0.00 N ATOM 896 CA PRO A 58 -3.122 1.317 -6.900 1.00 0.00 C ATOM 897 C PRO A 58 -3.789 1.468 -8.268 1.00 0.00 C ATOM 898 O PRO A 58 -4.058 2.584 -8.711 1.00 0.00 O ATOM 899 CB PRO A 58 -1.622 1.560 -6.941 1.00 0.00 C ATOM 900 CG PRO A 58 -0.975 0.185 -6.903 1.00 0.00 C ATOM 901 CD PRO A 58 -2.040 -0.819 -6.491 1.00 0.00 C ATOM 0 HA PRO A 58 -3.615 2.057 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.339 2.100 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.301 2.166 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.566 -0.072 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.145 0.173 -6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.135 -1.619 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.794 -1.288 -5.538 1.00 0.00 H new ATOM 909 N CYS A 59 -4.038 0.330 -8.900 1.00 0.00 N ATOM 910 CA CYS A 59 -4.669 0.323 -10.208 1.00 0.00 C ATOM 911 C CYS A 59 -6.061 0.944 -10.074 1.00 0.00 C ATOM 912 O CYS A 59 -6.593 1.497 -11.035 1.00 0.00 O ATOM 913 CB CYS A 59 -4.728 -1.087 -10.800 1.00 0.00 C ATOM 914 SG CYS A 59 -5.115 -1.000 -12.587 1.00 0.00 S ATOM 0 H CYS A 59 -3.814 -0.594 -8.530 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.074 0.914 -10.904 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.774 -1.593 -10.650 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.486 -1.676 -10.284 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.161 -2.202 -13.080 1.00 0.00 H new ATOM 920 N THR A 60 -6.611 0.832 -8.874 1.00 0.00 N ATOM 921 CA THR A 60 -7.930 1.375 -8.601 1.00 0.00 C ATOM 922 C THR A 60 -7.820 2.816 -8.097 1.00 0.00 C ATOM 923 O THR A 60 -8.831 3.456 -7.812 1.00 0.00 O ATOM 924 CB THR A 60 -8.633 0.439 -7.616 1.00 0.00 C ATOM 925 OG1 THR A 60 -7.978 0.685 -6.375 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.345 -1.036 -7.903 1.00 0.00 C ATOM 0 H THR A 60 -6.166 0.373 -8.079 1.00 0.00 H new ATOM 0 HA THR A 60 -8.532 1.426 -9.508 1.00 0.00 H new ATOM 0 HB THR A 60 -9.708 0.613 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.163 0.143 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.868 -1.657 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.689 -1.285 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.273 -1.218 -7.832 1.00 0.00 H new ATOM 934 N PHE A 61 -6.584 3.283 -8.003 1.00 0.00 N ATOM 935 CA PHE A 61 -6.329 4.636 -7.539 1.00 0.00 C ATOM 936 C PHE A 61 -5.785 5.511 -8.670 1.00 0.00 C ATOM 937 O PHE A 61 -4.871 5.107 -9.387 1.00 0.00 O ATOM 938 CB PHE A 61 -5.274 4.538 -6.434 1.00 0.00 C ATOM 939 CG PHE A 61 -5.698 3.675 -5.244 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.014 3.402 -5.036 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.759 3.180 -4.394 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.407 2.601 -3.932 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.152 2.379 -3.289 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.468 2.106 -3.082 1.00 0.00 C ATOM 0 H PHE A 61 -5.748 2.749 -8.240 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.254 5.087 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.356 4.130 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.042 5.542 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.760 3.795 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.714 3.396 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.452 2.385 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.406 1.987 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.767 1.496 -2.243 1.00 0.00 H new ATOM 954 N GLY A 62 -6.371 6.692 -8.795 1.00 0.00 N ATOM 955 CA GLY A 62 -5.957 7.628 -9.827 1.00 0.00 C ATOM 956 C GLY A 62 -4.627 8.292 -9.463 1.00 0.00 C ATOM 957 O GLY A 62 -4.200 8.244 -8.311 1.00 0.00 O ATOM 0 H GLY A 62 -7.130 7.023 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.858 7.106 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.724 8.391 -9.960 1.00 0.00 H new ATOM 961 N SER A 63 -4.010 8.896 -10.468 1.00 0.00 N ATOM 962 CA SER A 63 -2.738 9.569 -10.269 1.00 0.00 C ATOM 963 C SER A 63 -2.776 10.388 -8.977 1.00 0.00 C ATOM 964 O SER A 63 -1.796 10.431 -8.236 1.00 0.00 O ATOM 965 CB SER A 63 -2.399 10.470 -11.458 1.00 0.00 C ATOM 966 OG SER A 63 -3.536 11.193 -11.921 1.00 0.00 O ATOM 0 H SER A 63 -4.368 8.933 -11.423 1.00 0.00 H new ATOM 0 HA SER A 63 -1.959 8.811 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.616 11.171 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.000 9.863 -12.271 1.00 0.00 H new ATOM 0 HG SER A 63 -3.278 11.758 -12.679 1.00 0.00 H new ATOM 972 N GLN A 64 -3.919 11.019 -8.747 1.00 0.00 N ATOM 973 CA GLN A 64 -4.097 11.834 -7.558 1.00 0.00 C ATOM 974 C GLN A 64 -3.975 10.972 -6.300 1.00 0.00 C ATOM 975 O GLN A 64 -3.144 11.244 -5.435 1.00 0.00 O ATOM 976 CB GLN A 64 -5.440 12.567 -7.592 1.00 0.00 C ATOM 977 CG GLN A 64 -5.447 13.743 -6.614 1.00 0.00 C ATOM 978 CD GLN A 64 -5.831 15.044 -7.323 1.00 0.00 C ATOM 979 OE1 GLN A 64 -4.991 15.810 -7.765 1.00 0.00 O ATOM 980 NE2 GLN A 64 -7.142 15.249 -7.405 1.00 0.00 N ATOM 0 H GLN A 64 -4.730 10.982 -9.364 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.309 12.587 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.636 12.928 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.243 11.874 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.150 13.544 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.462 13.849 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.790 14.566 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.499 16.089 -7.860 1.00 0.00 H new ATOM 989 N ASN A 65 -4.816 9.950 -6.238 1.00 0.00 N ATOM 990 CA ASN A 65 -4.813 9.046 -5.100 1.00 0.00 C ATOM 991 C ASN A 65 -3.400 8.495 -4.896 1.00 0.00 C ATOM 992 O ASN A 65 -2.949 8.339 -3.763 1.00 0.00 O ATOM 993 CB ASN A 65 -5.753 7.862 -5.335 1.00 0.00 C ATOM 994 CG ASN A 65 -7.216 8.287 -5.195 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.801 8.249 -4.124 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.773 8.693 -6.332 1.00 0.00 N ATOM 0 H ASN A 65 -5.504 9.728 -6.957 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.147 9.604 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.584 7.451 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.531 7.069 -4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.746 8.997 -6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.227 8.700 -7.193 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.742 8.215 -6.011 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.390 7.684 -5.969 1.00 0.00 C ATOM 1005 C LEU A 66 -0.461 8.717 -5.329 1.00 0.00 C ATOM 1006 O LEU A 66 0.098 8.477 -4.260 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.946 7.238 -7.364 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.767 6.116 -8.003 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.396 5.937 -9.476 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.624 4.814 -7.213 1.00 0.00 C ATOM 0 H LEU A 66 -3.120 8.346 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.351 6.790 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.973 8.103 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.093 6.913 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.819 6.399 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.994 5.134 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.591 6.864 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.338 5.686 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.217 4.033 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.577 4.513 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.976 4.967 -6.193 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.325 9.846 -6.009 1.00 0.00 N ATOM 1023 CA GLU A 67 0.526 10.917 -5.520 1.00 0.00 C ATOM 1024 C GLU A 67 0.404 11.040 -4.000 1.00 0.00 C ATOM 1025 O GLU A 67 1.367 11.397 -3.323 1.00 0.00 O ATOM 1026 CB GLU A 67 0.189 12.242 -6.206 1.00 0.00 C ATOM 1027 CG GLU A 67 1.264 12.621 -7.226 1.00 0.00 C ATOM 1028 CD GLU A 67 1.587 14.115 -7.154 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.619 14.901 -7.058 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.794 14.437 -7.196 1.00 0.00 O ATOM 0 H GLU A 67 -0.790 10.042 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 67 1.560 10.673 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.777 12.162 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.098 13.030 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.168 12.041 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.923 12.367 -8.230 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.788 10.736 -3.507 1.00 0.00 N ATOM 1038 CA ARG A 68 -1.048 10.808 -2.079 1.00 0.00 C ATOM 1039 C ARG A 68 -0.367 9.644 -1.357 1.00 0.00 C ATOM 1040 O ARG A 68 0.345 9.850 -0.375 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.550 10.770 -1.791 1.00 0.00 C ATOM 1042 CG ARG A 68 -3.271 11.927 -2.484 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.755 11.611 -2.678 1.00 0.00 C ATOM 1044 NE ARG A 68 -5.584 12.645 -2.019 1.00 0.00 N ATOM 1045 CZ ARG A 68 -5.824 12.688 -0.702 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -5.301 11.756 0.106 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -6.588 13.664 -0.191 1.00 0.00 N ATOM 0 H ARG A 68 -1.584 10.439 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.644 11.752 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.965 9.822 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.719 10.824 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.163 12.835 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.808 12.122 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.990 11.568 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.984 10.630 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.998 13.370 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.720 11.013 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.484 11.789 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.987 14.374 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.771 13.696 0.812 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.609 8.447 -1.871 1.00 0.00 N ATOM 1062 CA ILE A 69 -0.027 7.250 -1.286 1.00 0.00 C ATOM 1063 C ILE A 69 1.480 7.451 -1.118 1.00 0.00 C ATOM 1064 O ILE A 69 1.982 7.497 0.004 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.395 6.017 -2.114 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.833 5.577 -1.832 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.607 4.884 -1.885 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.451 4.905 -3.060 1.00 0.00 C ATOM 0 H ILE A 69 -1.200 8.280 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.438 7.072 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.342 6.285 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.847 4.886 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.432 6.441 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.322 4.020 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.604 5.215 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.610 4.608 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.473 4.602 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.457 5.607 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.863 4.027 -3.329 1.00 0.00 H new ATOM 1080 N LEU A 70 2.160 7.565 -2.249 1.00 0.00 N ATOM 1081 CA LEU A 70 3.600 7.760 -2.241 1.00 0.00 C ATOM 1082 C LEU A 70 3.957 8.845 -1.223 1.00 0.00 C ATOM 1083 O LEU A 70 5.070 8.867 -0.700 1.00 0.00 O ATOM 1084 CB LEU A 70 4.109 8.050 -3.654 1.00 0.00 C ATOM 1085 CG LEU A 70 3.776 7.000 -4.716 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.117 7.511 -6.118 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.465 5.670 -4.407 1.00 0.00 C ATOM 0 H LEU A 70 1.740 7.526 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 70 4.107 6.848 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.699 9.007 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.192 8.165 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 70 2.701 6.819 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.871 6.746 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.542 8.413 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.182 7.738 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.212 4.941 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.545 5.816 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.130 5.304 -3.437 1.00 0.00 H new ATOM 1099 N ALA A 71 2.993 9.718 -0.974 1.00 0.00 N ATOM 1100 CA ALA A 71 3.193 10.803 -0.028 1.00 0.00 C ATOM 1101 C ALA A 71 3.340 10.225 1.381 1.00 0.00 C ATOM 1102 O ALA A 71 4.341 10.467 2.053 1.00 0.00 O ATOM 1103 CB ALA A 71 2.031 11.793 -0.134 1.00 0.00 C ATOM 0 H ALA A 71 2.071 9.697 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 71 4.108 11.349 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.181 12.607 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.988 12.197 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.095 11.282 0.093 1.00 0.00 H new ATOM 1109 N VAL A 72 2.328 9.473 1.786 1.00 0.00 N ATOM 1110 CA VAL A 72 2.332 8.858 3.103 1.00 0.00 C ATOM 1111 C VAL A 72 2.948 7.461 3.007 1.00 0.00 C ATOM 1112 O VAL A 72 2.735 6.624 3.883 1.00 0.00 O ATOM 1113 CB VAL A 72 0.915 8.849 3.680 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.433 10.271 3.975 1.00 0.00 C ATOM 1115 CG2 VAL A 72 -0.054 8.124 2.744 1.00 0.00 C ATOM 0 H VAL A 72 1.499 9.275 1.226 1.00 0.00 H new ATOM 0 HA VAL A 72 2.946 9.437 3.793 1.00 0.00 H new ATOM 0 HB VAL A 72 0.941 8.303 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.577 10.235 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.101 10.739 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.431 10.853 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.054 8.132 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.074 8.629 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.274 7.093 2.608 1.00 0.00 H new ATOM 1125 N ALA A 73 3.699 7.253 1.936 1.00 0.00 N ATOM 1126 CA ALA A 73 4.348 5.972 1.714 1.00 0.00 C ATOM 1127 C ALA A 73 4.999 5.502 3.017 1.00 0.00 C ATOM 1128 O ALA A 73 5.145 4.302 3.245 1.00 0.00 O ATOM 1129 CB ALA A 73 5.357 6.101 0.572 1.00 0.00 C ATOM 0 H ALA A 73 3.873 7.950 1.212 1.00 0.00 H new ATOM 0 HA ALA A 73 3.618 5.218 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.843 5.140 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.840 6.408 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.108 6.847 0.832 1.00 0.00 H new ATOM 1135 N ASP A 74 5.372 6.473 3.838 1.00 0.00 N ATOM 1136 CA ASP A 74 6.004 6.174 5.112 1.00 0.00 C ATOM 1137 C ASP A 74 4.956 5.617 6.078 1.00 0.00 C ATOM 1138 O ASP A 74 5.198 4.618 6.753 1.00 0.00 O ATOM 1139 CB ASP A 74 6.602 7.435 5.739 1.00 0.00 C ATOM 1140 CG ASP A 74 8.083 7.333 6.110 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.360 6.759 7.186 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.904 7.830 5.310 1.00 0.00 O ATOM 0 H ASP A 74 5.249 7.467 3.646 1.00 0.00 H new ATOM 0 HA ASP A 74 6.798 5.449 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.473 8.264 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.034 7.681 6.636 1.00 0.00 H new ATOM 1147 N LYS A 75 3.814 6.287 6.112 1.00 0.00 N ATOM 1148 CA LYS A 75 2.728 5.872 6.984 1.00 0.00 C ATOM 1149 C LYS A 75 2.337 4.430 6.652 1.00 0.00 C ATOM 1150 O LYS A 75 2.257 3.585 7.542 1.00 0.00 O ATOM 1151 CB LYS A 75 1.563 6.860 6.898 1.00 0.00 C ATOM 1152 CG LYS A 75 2.039 8.292 7.154 1.00 0.00 C ATOM 1153 CD LYS A 75 1.518 8.811 8.496 1.00 0.00 C ATOM 1154 CE LYS A 75 1.809 10.304 8.656 1.00 0.00 C ATOM 1155 NZ LYS A 75 1.968 10.651 10.086 1.00 0.00 N ATOM 0 H LYS A 75 3.617 7.115 5.550 1.00 0.00 H new ATOM 0 HA LYS A 75 3.050 5.885 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.100 6.797 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.799 6.591 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.129 8.324 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.695 8.943 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.444 8.637 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.984 8.257 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.716 10.564 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.997 10.887 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.165 11.668 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.093 10.421 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.758 10.108 10.489 1.00 0.00 H new ATOM 1169 N ILE A 76 2.104 4.194 5.370 1.00 0.00 N ATOM 1170 CA ILE A 76 1.723 2.869 4.910 1.00 0.00 C ATOM 1171 C ILE A 76 2.542 1.818 5.662 1.00 0.00 C ATOM 1172 O ILE A 76 3.770 1.883 5.687 1.00 0.00 O ATOM 1173 CB ILE A 76 1.850 2.774 3.388 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.741 3.568 2.695 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.881 1.314 2.931 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.156 3.966 1.277 1.00 0.00 C ATOM 0 H ILE A 76 2.172 4.898 4.635 1.00 0.00 H new ATOM 0 HA ILE A 76 0.674 2.675 5.132 1.00 0.00 H new ATOM 0 HB ILE A 76 2.799 3.223 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.170 2.970 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.512 4.462 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.972 1.274 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.733 0.809 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.960 0.817 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.350 4.529 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.053 4.584 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.361 3.069 0.693 1.00 0.00 H new ATOM 1188 N LYS A 77 1.828 0.874 6.257 1.00 0.00 N ATOM 1189 CA LYS A 77 2.473 -0.190 7.009 1.00 0.00 C ATOM 1190 C LYS A 77 1.829 -1.529 6.644 1.00 0.00 C ATOM 1191 O LYS A 77 0.625 -1.711 6.819 1.00 0.00 O ATOM 1192 CB LYS A 77 2.444 0.119 8.507 1.00 0.00 C ATOM 1193 CG LYS A 77 3.105 -1.003 9.311 1.00 0.00 C ATOM 1194 CD LYS A 77 2.791 -0.867 10.802 1.00 0.00 C ATOM 1195 CE LYS A 77 2.801 -2.233 11.491 1.00 0.00 C ATOM 1196 NZ LYS A 77 3.232 -2.100 12.900 1.00 0.00 N ATOM 0 H LYS A 77 0.810 0.823 6.234 1.00 0.00 H new ATOM 0 HA LYS A 77 3.528 -0.260 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.959 1.060 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.413 0.248 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.755 -1.970 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.184 -0.977 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.524 -0.212 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.816 -0.398 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.806 -2.675 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.472 -2.909 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.233 -3.036 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.191 -1.698 12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.576 -1.472 13.406 1.00 0.00 H new ATOM 1210 N PHE A 78 2.659 -2.432 6.143 1.00 0.00 N ATOM 1211 CA PHE A 78 2.185 -3.749 5.753 1.00 0.00 C ATOM 1212 C PHE A 78 2.367 -4.757 6.889 1.00 0.00 C ATOM 1213 O PHE A 78 3.280 -4.622 7.703 1.00 0.00 O ATOM 1214 CB PHE A 78 3.029 -4.191 4.555 1.00 0.00 C ATOM 1215 CG PHE A 78 2.532 -3.653 3.212 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.241 -2.332 3.074 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.382 -4.496 2.155 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.780 -1.833 1.827 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.921 -3.997 0.908 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.629 -2.676 0.771 1.00 0.00 C ATOM 0 H PHE A 78 3.657 -2.278 5.998 1.00 0.00 H new ATOM 0 HA PHE A 78 1.123 -3.705 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.058 -3.864 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.043 -5.280 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.360 -1.662 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.614 -5.545 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.549 -0.784 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.802 -4.666 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.277 -2.296 -0.177 1.00 0.00 H new ATOM 1230 N THR A 79 1.484 -5.744 6.909 1.00 0.00 N ATOM 1231 CA THR A 79 1.536 -6.775 7.932 1.00 0.00 C ATOM 1232 C THR A 79 1.560 -8.163 7.290 1.00 0.00 C ATOM 1233 O THR A 79 0.662 -8.512 6.525 1.00 0.00 O ATOM 1234 CB THR A 79 0.352 -6.562 8.877 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.574 -5.265 9.426 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.397 -7.492 10.091 1.00 0.00 C ATOM 0 H THR A 79 0.728 -5.852 6.233 1.00 0.00 H new ATOM 0 HA THR A 79 2.453 -6.707 8.517 1.00 0.00 H new ATOM 0 HB THR A 79 -0.579 -6.720 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.149 -5.046 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.466 -7.300 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.376 -8.529 9.756 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.312 -7.311 10.654 1.00 0.00 H new ATOM 1244 N VAL A 80 2.596 -8.918 7.626 1.00 0.00 N ATOM 1245 CA VAL A 80 2.748 -10.260 7.092 1.00 0.00 C ATOM 1246 C VAL A 80 2.589 -11.276 8.225 1.00 0.00 C ATOM 1247 O VAL A 80 3.522 -11.506 8.993 1.00 0.00 O ATOM 1248 CB VAL A 80 4.086 -10.385 6.361 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.348 -11.831 5.938 1.00 0.00 C ATOM 1250 CG2 VAL A 80 4.143 -9.442 5.157 1.00 0.00 C ATOM 0 H VAL A 80 3.338 -8.625 8.262 1.00 0.00 H new ATOM 0 HA VAL A 80 1.971 -10.468 6.357 1.00 0.00 H new ATOM 0 HB VAL A 80 4.874 -10.092 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.306 -11.891 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.372 -12.470 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.553 -12.164 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.104 -9.551 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.341 -9.690 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.025 -8.413 5.495 1.00 0.00 H new