USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 40 SER OG : rot 49:sc= 1.41 USER MOD Set 1.2: A 49 TYR OH : rot 49:sc= 0.287 USER MOD Single : A 5 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.043) USER MOD Single : A 12 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= 1.84 (180deg=0.207) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.18) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.958 USER MOD Single : A 25 TYR OH : rot -100:sc= -2.16! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.0977 (180deg=0.0384) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.0263 (180deg=-0.304) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00326 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.863 (180deg=0.843) USER MOD Single : A 57 ASN : amide:sc= -7.04! K(o=-7!,f=-0.5) USER MOD Single : A 61 GLN : amide:sc= -2.19! C(o=-2.2!,f=-1.8!) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.003 (180deg=-0.0483) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.516 -3.621 -1.019 1.00 0.00 N ATOM 2 CA ASN A 5 18.020 -3.264 0.302 1.00 0.00 C ATOM 3 C ASN A 5 16.653 -2.639 0.191 1.00 0.00 C ATOM 4 O ASN A 5 15.707 -3.004 0.889 1.00 0.00 O ATOM 5 CB ASN A 5 18.991 -2.299 0.969 1.00 0.00 C ATOM 6 CG ASN A 5 18.700 -2.125 2.439 1.00 0.00 C ATOM 7 OD1 ASN A 5 18.839 -1.036 2.991 1.00 0.00 O ATOM 8 ND2 ASN A 5 18.328 -3.216 3.091 1.00 0.00 N ATOM 0 HA ASN A 5 17.940 -4.164 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 5 20.010 -2.666 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.937 -1.330 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 5 18.144 -3.173 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 5 18.225 -4.099 2.591 1.00 0.00 H new ATOM 15 N GLU A 6 16.572 -1.723 -0.726 1.00 0.00 N ATOM 16 CA GLU A 6 15.359 -1.013 -1.046 1.00 0.00 C ATOM 17 C GLU A 6 14.361 -1.949 -1.732 1.00 0.00 C ATOM 18 O GLU A 6 13.162 -1.836 -1.523 1.00 0.00 O ATOM 19 CB GLU A 6 15.764 0.165 -1.927 1.00 0.00 C ATOM 20 CG GLU A 6 17.123 -0.076 -2.571 1.00 0.00 C ATOM 21 CD GLU A 6 17.070 -1.117 -3.659 1.00 0.00 C ATOM 22 OE1 GLU A 6 16.717 -0.776 -4.796 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.371 -2.293 -3.363 1.00 0.00 O ATOM 0 H GLU A 6 17.370 -1.436 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 6 14.854 -0.644 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.013 0.319 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.797 1.076 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.496 0.860 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.833 -0.390 -1.806 1.00 0.00 H new ATOM 30 N ARG A 7 14.869 -2.889 -2.533 1.00 0.00 N ATOM 31 CA ARG A 7 14.036 -3.950 -3.096 1.00 0.00 C ATOM 32 C ARG A 7 13.438 -4.802 -1.984 1.00 0.00 C ATOM 33 O ARG A 7 12.257 -5.135 -2.010 1.00 0.00 O ATOM 34 CB ARG A 7 14.840 -4.830 -4.052 1.00 0.00 C ATOM 35 CG ARG A 7 15.126 -4.152 -5.379 1.00 0.00 C ATOM 36 CD ARG A 7 13.835 -3.631 -6.002 1.00 0.00 C ATOM 37 NE ARG A 7 13.958 -3.365 -7.442 1.00 0.00 N ATOM 38 CZ ARG A 7 13.272 -4.014 -8.393 1.00 0.00 C ATOM 39 NH1 ARG A 7 12.427 -4.987 -8.075 1.00 0.00 N ATOM 40 NH2 ARG A 7 13.427 -3.677 -9.667 1.00 0.00 N ATOM 0 H ARG A 7 15.851 -2.936 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 7 13.229 -3.480 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.783 -5.104 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.293 -5.755 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.823 -3.328 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.606 -4.857 -6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.040 -4.359 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.537 -2.714 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 7 14.609 -2.638 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.294 -5.248 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.911 -5.474 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.068 -2.925 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.906 -4.170 -10.392 1.00 0.00 H new ATOM 54 N ARG A 8 14.265 -5.137 -0.999 1.00 0.00 N ATOM 55 CA ARG A 8 13.813 -5.890 0.167 1.00 0.00 C ATOM 56 C ARG A 8 12.705 -5.111 0.877 1.00 0.00 C ATOM 57 O ARG A 8 11.642 -5.658 1.192 1.00 0.00 O ATOM 58 CB ARG A 8 15.007 -6.152 1.105 1.00 0.00 C ATOM 59 CG ARG A 8 14.737 -7.119 2.258 1.00 0.00 C ATOM 60 CD ARG A 8 14.088 -6.443 3.460 1.00 0.00 C ATOM 61 NE ARG A 8 14.939 -5.407 4.053 1.00 0.00 N ATOM 62 CZ ARG A 8 14.741 -4.895 5.275 1.00 0.00 C ATOM 63 NH1 ARG A 8 13.767 -5.363 6.049 1.00 0.00 N ATOM 64 NH2 ARG A 8 15.532 -3.933 5.737 1.00 0.00 N ATOM 0 H ARG A 8 15.256 -4.898 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 8 13.407 -6.853 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.834 -6.543 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.335 -5.200 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.090 -7.923 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.676 -7.577 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.141 -5.999 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.858 -7.195 4.215 1.00 0.00 H new ATOM 0 HE ARG A 8 15.725 -5.057 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.166 -6.116 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.621 -4.970 6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.296 -3.580 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.376 -3.548 6.668 1.00 0.00 H new ATOM 78 N ILE A 9 12.957 -3.823 1.097 1.00 0.00 N ATOM 79 CA ILE A 9 11.991 -2.937 1.739 1.00 0.00 C ATOM 80 C ILE A 9 10.702 -2.797 0.914 1.00 0.00 C ATOM 81 O ILE A 9 9.598 -2.951 1.437 1.00 0.00 O ATOM 82 CB ILE A 9 12.624 -1.545 1.954 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.721 -1.617 3.010 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.573 -0.519 2.358 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.564 -0.365 3.074 1.00 0.00 C ATOM 0 H ILE A 9 13.831 -3.367 0.837 1.00 0.00 H new ATOM 0 HA ILE A 9 11.724 -3.379 2.699 1.00 0.00 H new ATOM 0 HB ILE A 9 13.063 -1.227 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.267 -1.793 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.365 -2.471 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.048 0.451 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.820 -0.441 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.097 -0.832 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.327 -0.479 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.044 -0.200 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.930 0.489 3.314 1.00 0.00 H new ATOM 97 N LEU A 10 10.863 -2.531 -0.374 1.00 0.00 N ATOM 98 CA LEU A 10 9.754 -2.210 -1.259 1.00 0.00 C ATOM 99 C LEU A 10 8.836 -3.411 -1.491 1.00 0.00 C ATOM 100 O LEU A 10 7.621 -3.258 -1.556 1.00 0.00 O ATOM 101 CB LEU A 10 10.311 -1.715 -2.588 1.00 0.00 C ATOM 102 CG LEU A 10 9.344 -0.919 -3.451 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.054 0.421 -2.809 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.913 -0.724 -4.842 1.00 0.00 C ATOM 0 H LEU A 10 11.772 -2.532 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 10 9.153 -1.434 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.185 -1.095 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.656 -2.576 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 10 8.411 -1.477 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.361 0.982 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.610 0.265 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.982 0.982 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.209 -0.153 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.857 -0.183 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.083 -1.696 -5.305 1.00 0.00 H new ATOM 116 N GLU A 11 9.412 -4.598 -1.618 1.00 0.00 N ATOM 117 CA GLU A 11 8.618 -5.799 -1.872 1.00 0.00 C ATOM 118 C GLU A 11 7.896 -6.247 -0.606 1.00 0.00 C ATOM 119 O GLU A 11 6.778 -6.765 -0.669 1.00 0.00 O ATOM 120 CB GLU A 11 9.494 -6.940 -2.400 1.00 0.00 C ATOM 121 CG GLU A 11 10.159 -6.641 -3.735 1.00 0.00 C ATOM 122 CD GLU A 11 9.169 -6.490 -4.876 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.677 -5.369 -5.099 1.00 0.00 O ATOM 124 OE2 GLU A 11 8.895 -7.492 -5.571 1.00 0.00 O ATOM 0 H GLU A 11 10.417 -4.758 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 11 7.878 -5.549 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.266 -7.163 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.883 -7.836 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.743 -5.725 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.858 -7.443 -3.973 1.00 0.00 H new ATOM 131 N GLN A 12 8.544 -6.069 0.546 1.00 0.00 N ATOM 132 CA GLN A 12 7.889 -6.330 1.819 1.00 0.00 C ATOM 133 C GLN A 12 6.766 -5.332 2.028 1.00 0.00 C ATOM 134 O GLN A 12 5.683 -5.682 2.511 1.00 0.00 O ATOM 135 CB GLN A 12 8.880 -6.248 2.981 1.00 0.00 C ATOM 136 CG GLN A 12 8.254 -6.546 4.341 1.00 0.00 C ATOM 137 CD GLN A 12 7.518 -7.878 4.375 1.00 0.00 C ATOM 138 OE1 GLN A 12 7.863 -8.815 3.656 1.00 0.00 O ATOM 139 NE2 GLN A 12 6.491 -7.974 5.209 1.00 0.00 N ATOM 0 H GLN A 12 9.510 -5.749 0.620 1.00 0.00 H new ATOM 0 HA GLN A 12 7.483 -7.341 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.694 -6.951 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.319 -5.251 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.034 -6.548 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.560 -5.746 4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.231 -7.178 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.961 -8.844 5.268 1.00 0.00 H new ATOM 148 N LYS A 13 7.033 -4.086 1.653 1.00 0.00 N ATOM 149 CA LYS A 13 6.021 -3.050 1.703 1.00 0.00 C ATOM 150 C LYS A 13 4.878 -3.435 0.785 1.00 0.00 C ATOM 151 O LYS A 13 3.716 -3.353 1.163 1.00 0.00 O ATOM 152 CB LYS A 13 6.601 -1.698 1.272 1.00 0.00 C ATOM 153 CG LYS A 13 6.713 -0.682 2.399 1.00 0.00 C ATOM 154 CD LYS A 13 7.542 -1.210 3.559 1.00 0.00 C ATOM 155 CE LYS A 13 7.772 -0.138 4.604 1.00 0.00 C ATOM 156 NZ LYS A 13 8.663 0.935 4.094 1.00 0.00 N ATOM 0 H LYS A 13 7.942 -3.774 1.312 1.00 0.00 H new ATOM 0 HA LYS A 13 5.662 -2.953 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.590 -1.859 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.975 -1.281 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.164 0.234 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.716 -0.423 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.035 -2.061 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.501 -1.571 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.816 0.292 4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.212 -0.585 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.569 0.906 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.833 0.792 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.212 1.860 4.242 1.00 0.00 H new ATOM 170 N LYS A 14 5.238 -3.889 -0.415 1.00 0.00 N ATOM 171 CA LYS A 14 4.271 -4.298 -1.421 1.00 0.00 C ATOM 172 C LYS A 14 3.253 -5.284 -0.845 1.00 0.00 C ATOM 173 O LYS A 14 2.045 -5.049 -0.916 1.00 0.00 O ATOM 174 CB LYS A 14 5.006 -4.932 -2.612 1.00 0.00 C ATOM 175 CG LYS A 14 4.139 -5.092 -3.851 1.00 0.00 C ATOM 176 CD LYS A 14 4.945 -5.611 -5.029 1.00 0.00 C ATOM 177 CE LYS A 14 5.744 -4.506 -5.692 1.00 0.00 C ATOM 178 NZ LYS A 14 6.622 -5.050 -6.754 1.00 0.00 N ATOM 0 H LYS A 14 6.209 -3.982 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 14 3.727 -3.415 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.871 -4.318 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.384 -5.910 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.320 -5.779 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.691 -4.133 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.621 -6.396 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.273 -6.063 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.065 -3.768 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.347 -3.990 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.728 -4.345 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.556 -5.270 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.199 -5.917 -7.144 1.00 0.00 H new ATOM 192 N HIS A 15 3.730 -6.353 -0.214 1.00 0.00 N ATOM 193 CA HIS A 15 2.818 -7.363 0.317 1.00 0.00 C ATOM 194 C HIS A 15 2.034 -6.841 1.523 1.00 0.00 C ATOM 195 O HIS A 15 0.820 -6.988 1.573 1.00 0.00 O ATOM 196 CB HIS A 15 3.553 -8.662 0.686 1.00 0.00 C ATOM 197 CG HIS A 15 2.651 -9.758 1.196 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.072 -10.715 2.091 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.354 -10.057 0.915 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.086 -11.557 2.335 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.027 -11.184 1.633 1.00 0.00 N ATOM 0 H HIS A 15 4.720 -6.541 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 15 2.110 -7.588 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.088 -9.026 -0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.302 -8.439 1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.701 -9.510 0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.135 -12.409 2.997 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.121 -11.653 1.626 1.00 0.00 H new ATOM 210 N TYR A 16 2.715 -6.225 2.483 1.00 0.00 N ATOM 211 CA TYR A 16 2.074 -5.840 3.742 1.00 0.00 C ATOM 212 C TYR A 16 1.133 -4.646 3.553 1.00 0.00 C ATOM 213 O TYR A 16 0.188 -4.472 4.320 1.00 0.00 O ATOM 214 CB TYR A 16 3.130 -5.533 4.809 1.00 0.00 C ATOM 215 CG TYR A 16 2.595 -5.510 6.228 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.489 -6.268 6.591 1.00 0.00 C ATOM 217 CD2 TYR A 16 3.207 -4.734 7.205 1.00 0.00 C ATOM 218 CE1 TYR A 16 1.003 -6.249 7.884 1.00 0.00 C ATOM 219 CE2 TYR A 16 2.731 -4.713 8.502 1.00 0.00 C ATOM 220 CZ TYR A 16 1.631 -5.472 8.837 1.00 0.00 C ATOM 221 OH TYR A 16 1.152 -5.457 10.129 1.00 0.00 O ATOM 0 H TYR A 16 3.703 -5.982 2.418 1.00 0.00 H new ATOM 0 HA TYR A 16 1.471 -6.683 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.923 -6.278 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.583 -4.566 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.001 -6.883 5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.069 -4.137 6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.137 -6.838 8.148 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.219 -4.105 9.249 1.00 0.00 H new ATOM 0 HH TYR A 16 1.706 -4.862 10.676 1.00 0.00 H new ATOM 231 N PHE A 17 1.373 -3.840 2.526 1.00 0.00 N ATOM 232 CA PHE A 17 0.485 -2.727 2.213 1.00 0.00 C ATOM 233 C PHE A 17 -0.735 -3.241 1.458 1.00 0.00 C ATOM 234 O PHE A 17 -1.817 -2.675 1.558 1.00 0.00 O ATOM 235 CB PHE A 17 1.210 -1.666 1.392 1.00 0.00 C ATOM 236 CG PHE A 17 0.374 -0.458 1.087 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.118 0.323 2.120 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.105 -0.085 -0.223 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.873 1.449 1.858 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.651 1.037 -0.491 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.141 1.806 0.549 1.00 0.00 C ATOM 0 H PHE A 17 2.171 -3.935 1.898 1.00 0.00 H new ATOM 0 HA PHE A 17 0.161 -2.266 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.103 -1.351 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.544 -2.111 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.092 0.048 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.491 -0.678 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.253 2.049 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.860 1.315 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.733 2.685 0.339 1.00 0.00 H new ATOM 251 N TRP A 18 -0.561 -4.336 0.720 1.00 0.00 N ATOM 252 CA TRP A 18 -1.694 -5.009 0.065 1.00 0.00 C ATOM 253 C TRP A 18 -2.445 -5.784 1.127 1.00 0.00 C ATOM 254 O TRP A 18 -3.655 -5.938 1.071 1.00 0.00 O ATOM 255 CB TRP A 18 -1.200 -5.948 -1.048 1.00 0.00 C ATOM 256 CG TRP A 18 -2.253 -6.603 -1.940 1.00 0.00 C ATOM 257 CD1 TRP A 18 -2.012 -7.693 -2.724 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.651 -6.251 -2.189 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.137 -8.046 -3.421 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.145 -7.196 -3.113 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.543 -5.258 -1.741 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.451 -7.185 -3.589 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.848 -5.254 -2.228 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.284 -6.215 -3.137 1.00 0.00 C ATOM 0 H TRP A 18 0.344 -4.778 0.558 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.351 -4.275 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.522 -5.383 -1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.613 -6.740 -0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.064 -8.207 -2.787 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.205 -8.829 -4.072 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.220 -4.511 -1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.792 -7.926 -4.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.535 -4.491 -1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.305 -6.187 -3.489 1.00 0.00 H new ATOM 275 N LEU A 19 -1.705 -6.222 2.130 1.00 0.00 N ATOM 276 CA LEU A 19 -2.286 -6.908 3.266 1.00 0.00 C ATOM 277 C LEU A 19 -3.063 -5.871 4.060 1.00 0.00 C ATOM 278 O LEU A 19 -4.145 -6.126 4.573 1.00 0.00 O ATOM 279 CB LEU A 19 -1.172 -7.555 4.117 1.00 0.00 C ATOM 280 CG LEU A 19 -1.591 -8.747 4.980 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.383 -9.602 5.328 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.268 -8.269 6.249 1.00 0.00 C ATOM 0 H LEU A 19 -0.692 -6.113 2.179 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.952 -7.711 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.374 -7.879 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.751 -6.790 4.769 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.297 -9.351 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.699 -10.445 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.077 -9.972 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.340 -9.002 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.560 -9.129 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.578 -7.645 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.154 -7.688 5.992 1.00 0.00 H new ATOM 294 N LEU A 20 -2.489 -4.681 4.106 1.00 0.00 N ATOM 295 CA LEU A 20 -3.112 -3.528 4.742 1.00 0.00 C ATOM 296 C LEU A 20 -4.366 -3.097 3.968 1.00 0.00 C ATOM 297 O LEU A 20 -5.455 -2.996 4.543 1.00 0.00 O ATOM 298 CB LEU A 20 -2.092 -2.373 4.774 1.00 0.00 C ATOM 299 CG LEU A 20 -2.329 -1.260 5.801 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.654 -0.560 5.547 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.272 -1.834 7.202 1.00 0.00 C ATOM 0 H LEU A 20 -1.573 -4.484 3.702 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.413 -3.791 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.105 -2.798 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.064 -1.919 3.783 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.542 -0.513 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.799 0.225 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.648 -0.120 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.467 -1.282 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.441 -1.039 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.042 -2.597 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.292 -2.279 7.373 1.00 0.00 H new ATOM 313 N LEU A 21 -4.206 -2.888 2.662 1.00 0.00 N ATOM 314 CA LEU A 21 -5.238 -2.339 1.815 1.00 0.00 C ATOM 315 C LEU A 21 -6.382 -3.351 1.669 1.00 0.00 C ATOM 316 O LEU A 21 -7.548 -2.985 1.773 1.00 0.00 O ATOM 317 CB LEU A 21 -4.574 -1.997 0.472 1.00 0.00 C ATOM 318 CG LEU A 21 -5.240 -0.947 -0.430 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.752 -1.069 -0.453 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.794 0.434 0.000 1.00 0.00 C ATOM 0 H LEU A 21 -3.341 -3.101 2.166 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.681 -1.437 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.559 -1.658 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.490 -2.921 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.918 -1.125 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.169 -0.302 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.032 -2.054 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.143 -0.938 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.264 1.183 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.086 0.604 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.710 0.510 -0.089 1.00 0.00 H new ATOM 332 N GLN A 22 -6.039 -4.626 1.493 1.00 0.00 N ATOM 333 CA GLN A 22 -7.047 -5.669 1.263 1.00 0.00 C ATOM 334 C GLN A 22 -7.796 -6.011 2.550 1.00 0.00 C ATOM 335 O GLN A 22 -8.982 -6.349 2.521 1.00 0.00 O ATOM 336 CB GLN A 22 -6.396 -6.928 0.688 1.00 0.00 C ATOM 337 CG GLN A 22 -7.392 -8.019 0.324 1.00 0.00 C ATOM 338 CD GLN A 22 -6.741 -9.226 -0.325 1.00 0.00 C ATOM 339 OE1 GLN A 22 -5.586 -9.548 -0.049 1.00 0.00 O ATOM 340 NE2 GLN A 22 -7.480 -9.903 -1.195 1.00 0.00 N ATOM 0 H GLN A 22 -5.077 -4.964 1.504 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.766 -5.279 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.825 -6.658 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.686 -7.324 1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.918 -8.337 1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.140 -7.608 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.434 -9.603 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.094 -10.723 -1.662 1.00 0.00 H new ATOM 349 N ARG A 23 -7.093 -5.944 3.674 1.00 0.00 N ATOM 350 CA ARG A 23 -7.712 -6.153 4.978 1.00 0.00 C ATOM 351 C ARG A 23 -8.748 -5.069 5.238 1.00 0.00 C ATOM 352 O ARG A 23 -9.779 -5.312 5.862 1.00 0.00 O ATOM 353 CB ARG A 23 -6.638 -6.168 6.073 1.00 0.00 C ATOM 354 CG ARG A 23 -7.158 -5.913 7.477 1.00 0.00 C ATOM 355 CD ARG A 23 -6.799 -4.513 7.957 1.00 0.00 C ATOM 356 NE ARG A 23 -5.359 -4.249 7.861 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.525 -4.274 8.893 1.00 0.00 C ATOM 358 NH1 ARG A 23 -4.966 -4.501 10.118 1.00 0.00 N ATOM 359 NH2 ARG A 23 -3.242 -4.056 8.690 1.00 0.00 N ATOM 0 H ARG A 23 -6.093 -5.746 3.709 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.218 -7.118 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.136 -7.135 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.887 -5.415 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.241 -6.039 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.741 -6.652 8.161 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.342 -3.777 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.121 -4.391 8.991 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.974 -4.032 6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.960 -4.660 10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.312 -4.517 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.899 -3.870 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.591 -4.073 9.475 1.00 0.00 H new ATOM 373 N THR A 24 -8.468 -3.882 4.736 1.00 0.00 N ATOM 374 CA THR A 24 -9.378 -2.769 4.893 1.00 0.00 C ATOM 375 C THR A 24 -10.475 -2.828 3.835 1.00 0.00 C ATOM 376 O THR A 24 -11.662 -2.909 4.156 1.00 0.00 O ATOM 377 CB THR A 24 -8.634 -1.425 4.796 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.514 -1.417 5.699 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.575 -0.277 5.131 1.00 0.00 C ATOM 0 H THR A 24 -7.617 -3.666 4.216 1.00 0.00 H new ATOM 0 HA THR A 24 -9.828 -2.843 5.883 1.00 0.00 H new ATOM 0 HB THR A 24 -8.272 -1.298 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.788 -1.958 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.036 0.668 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.409 -0.274 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.954 -0.402 6.145 1.00 0.00 H new ATOM 387 N TYR A 25 -10.072 -2.805 2.573 1.00 0.00 N ATOM 388 CA TYR A 25 -11.013 -2.841 1.470 1.00 0.00 C ATOM 389 C TYR A 25 -10.982 -4.216 0.815 1.00 0.00 C ATOM 390 O TYR A 25 -10.094 -4.526 0.020 1.00 0.00 O ATOM 391 CB TYR A 25 -10.692 -1.749 0.450 1.00 0.00 C ATOM 392 CG TYR A 25 -10.542 -0.368 1.056 1.00 0.00 C ATOM 393 CD1 TYR A 25 -11.272 0.016 2.177 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.660 0.553 0.509 1.00 0.00 C ATOM 395 CE1 TYR A 25 -11.129 1.273 2.724 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.516 1.815 1.056 1.00 0.00 C ATOM 397 CZ TYR A 25 -10.248 2.165 2.160 1.00 0.00 C ATOM 398 OH TYR A 25 -10.100 3.415 2.698 1.00 0.00 O ATOM 0 H TYR A 25 -9.093 -2.761 2.289 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.016 -2.655 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.769 -2.010 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.483 -1.722 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.962 -0.683 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.077 0.280 -0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.706 1.556 3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.829 2.522 0.615 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.617 4.061 2.172 1.00 0.00 H new ATOM 408 N THR A 26 -11.966 -5.027 1.163 1.00 0.00 N ATOM 409 CA THR A 26 -11.997 -6.426 0.785 1.00 0.00 C ATOM 410 C THR A 26 -12.710 -6.656 -0.545 1.00 0.00 C ATOM 411 O THR A 26 -12.845 -5.758 -1.375 1.00 0.00 O ATOM 412 CB THR A 26 -12.721 -7.238 1.869 1.00 0.00 C ATOM 413 OG1 THR A 26 -13.105 -6.365 2.940 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.837 -8.355 2.402 1.00 0.00 C ATOM 0 H THR A 26 -12.769 -4.731 1.718 1.00 0.00 H new ATOM 0 HA THR A 26 -10.961 -6.749 0.677 1.00 0.00 H new ATOM 0 HB THR A 26 -13.607 -7.693 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.569 -6.881 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.377 -8.912 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.568 -9.026 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.932 -7.928 2.834 1.00 0.00 H new ATOM 422 N LYS A 27 -13.167 -7.887 -0.729 1.00 0.00 N ATOM 423 CA LYS A 27 -13.883 -8.287 -1.923 1.00 0.00 C ATOM 424 C LYS A 27 -15.371 -7.978 -1.795 1.00 0.00 C ATOM 425 O LYS A 27 -16.087 -7.922 -2.792 1.00 0.00 O ATOM 426 CB LYS A 27 -13.664 -9.783 -2.130 1.00 0.00 C ATOM 427 CG LYS A 27 -13.647 -10.547 -0.814 1.00 0.00 C ATOM 428 CD LYS A 27 -13.483 -12.043 -1.012 1.00 0.00 C ATOM 429 CE LYS A 27 -12.114 -12.379 -1.576 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.924 -13.839 -1.754 1.00 0.00 N ATOM 0 H LYS A 27 -13.049 -8.637 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.508 -7.730 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.453 -10.179 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.721 -9.942 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.833 -10.175 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.574 -10.355 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.622 -12.555 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.256 -12.409 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.985 -11.878 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.343 -11.993 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.131 -14.009 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.716 -14.277 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.791 -14.256 -2.148 1.00 0.00 H new ATOM 444 N THR A 28 -15.829 -7.784 -0.565 1.00 0.00 N ATOM 445 CA THR A 28 -17.233 -7.488 -0.325 1.00 0.00 C ATOM 446 C THR A 28 -17.411 -6.504 0.837 1.00 0.00 C ATOM 447 O THR A 28 -18.342 -5.700 0.828 1.00 0.00 O ATOM 448 CB THR A 28 -18.032 -8.783 -0.056 1.00 0.00 C ATOM 449 OG1 THR A 28 -19.416 -8.487 0.165 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.465 -9.535 1.141 1.00 0.00 C ATOM 0 H THR A 28 -15.253 -7.826 0.276 1.00 0.00 H new ATOM 0 HA THR A 28 -17.623 -7.018 -1.228 1.00 0.00 H new ATOM 0 HB THR A 28 -17.944 -9.417 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.906 -9.319 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.045 -10.442 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.426 -9.800 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.517 -8.902 2.027 1.00 0.00 H new ATOM 458 N GLY A 29 -16.516 -6.573 1.832 1.00 0.00 N ATOM 459 CA GLY A 29 -16.581 -5.686 2.966 1.00 0.00 C ATOM 460 C GLY A 29 -16.585 -4.221 2.567 1.00 0.00 C ATOM 461 O GLY A 29 -17.639 -3.592 2.479 1.00 0.00 O ATOM 0 H GLY A 29 -15.744 -7.239 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.481 -5.904 3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.731 -5.877 3.621 1.00 0.00 H new ATOM 465 N LYS A 30 -15.400 -3.678 2.352 1.00 0.00 N ATOM 466 CA LYS A 30 -15.263 -2.370 1.734 1.00 0.00 C ATOM 467 C LYS A 30 -14.754 -2.549 0.312 1.00 0.00 C ATOM 468 O LYS A 30 -13.773 -3.246 0.097 1.00 0.00 O ATOM 469 CB LYS A 30 -14.294 -1.471 2.510 1.00 0.00 C ATOM 470 CG LYS A 30 -14.965 -0.398 3.359 1.00 0.00 C ATOM 471 CD LYS A 30 -15.603 -0.958 4.623 1.00 0.00 C ATOM 472 CE LYS A 30 -16.140 0.167 5.500 1.00 0.00 C ATOM 473 NZ LYS A 30 -16.640 -0.314 6.816 1.00 0.00 N ATOM 0 H LYS A 30 -14.516 -4.124 2.597 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.240 -1.887 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.679 -2.096 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.622 -0.987 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.227 0.356 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.728 0.105 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.413 -1.637 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.869 -1.541 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.352 0.902 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.947 0.677 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.993 0.493 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.412 -0.995 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.866 -0.777 7.334 1.00 0.00 H new ATOM 487 N PRO A 31 -15.423 -1.959 -0.678 1.00 0.00 N ATOM 488 CA PRO A 31 -14.981 -2.029 -2.070 1.00 0.00 C ATOM 489 C PRO A 31 -13.699 -1.233 -2.279 1.00 0.00 C ATOM 490 O PRO A 31 -13.624 -0.069 -1.855 1.00 0.00 O ATOM 491 CB PRO A 31 -16.132 -1.386 -2.859 1.00 0.00 C ATOM 492 CG PRO A 31 -17.269 -1.271 -1.898 1.00 0.00 C ATOM 493 CD PRO A 31 -16.655 -1.178 -0.532 1.00 0.00 C ATOM 0 HA PRO A 31 -14.764 -3.051 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.844 -0.407 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.407 -1.998 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.873 -0.390 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.929 -2.136 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.449 -0.145 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.309 -1.593 0.235 1.00 0.00 H new ATOM 501 N LYS A 32 -12.691 -1.849 -2.916 1.00 0.00 N ATOM 502 CA LYS A 32 -11.485 -1.145 -3.282 1.00 0.00 C ATOM 503 C LYS A 32 -11.875 0.157 -3.982 1.00 0.00 C ATOM 504 O LYS A 32 -12.710 0.156 -4.888 1.00 0.00 O ATOM 505 CB LYS A 32 -10.636 -2.038 -4.188 1.00 0.00 C ATOM 506 CG LYS A 32 -9.147 -1.782 -4.095 1.00 0.00 C ATOM 507 CD LYS A 32 -8.366 -2.824 -4.846 1.00 0.00 C ATOM 508 CE LYS A 32 -7.694 -2.188 -6.029 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.680 -1.567 -6.965 1.00 0.00 N ATOM 0 H LYS A 32 -12.702 -2.834 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.892 -0.902 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.830 -3.081 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.954 -1.895 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.920 -0.794 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.841 -1.779 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.622 -3.278 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.029 -3.623 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.994 -1.428 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.111 -2.939 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.285 -1.554 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.560 -2.121 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.882 -0.593 -6.661 1.00 0.00 H new ATOM 523 N PRO A 33 -11.299 1.280 -3.552 1.00 0.00 N ATOM 524 CA PRO A 33 -11.769 2.609 -3.937 1.00 0.00 C ATOM 525 C PRO A 33 -11.568 2.891 -5.420 1.00 0.00 C ATOM 526 O PRO A 33 -10.693 2.306 -6.063 1.00 0.00 O ATOM 527 CB PRO A 33 -10.931 3.560 -3.060 1.00 0.00 C ATOM 528 CG PRO A 33 -10.184 2.709 -2.112 1.00 0.00 C ATOM 529 CD PRO A 33 -10.109 1.347 -2.708 1.00 0.00 C ATOM 0 HA PRO A 33 -12.842 2.724 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.249 4.151 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.572 4.263 -2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.185 3.109 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.686 2.679 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.197 1.212 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.116 0.572 -1.941 1.00 0.00 H new ATOM 537 N SER A 34 -12.379 3.798 -5.949 1.00 0.00 N ATOM 538 CA SER A 34 -12.366 4.105 -7.374 1.00 0.00 C ATOM 539 C SER A 34 -11.191 5.015 -7.698 1.00 0.00 C ATOM 540 O SER A 34 -10.718 5.079 -8.833 1.00 0.00 O ATOM 541 CB SER A 34 -13.678 4.779 -7.772 1.00 0.00 C ATOM 542 OG SER A 34 -14.789 4.073 -7.244 1.00 0.00 O ATOM 0 H SER A 34 -13.057 4.336 -5.410 1.00 0.00 H new ATOM 0 HA SER A 34 -12.260 3.178 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.689 5.807 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.754 4.824 -8.858 1.00 0.00 H new ATOM 0 HG SER A 34 -15.618 4.523 -7.509 1.00 0.00 H new ATOM 548 N THR A 35 -10.741 5.721 -6.681 1.00 0.00 N ATOM 549 CA THR A 35 -9.596 6.600 -6.789 1.00 0.00 C ATOM 550 C THR A 35 -8.794 6.528 -5.497 1.00 0.00 C ATOM 551 O THR A 35 -9.366 6.357 -4.417 1.00 0.00 O ATOM 552 CB THR A 35 -10.040 8.051 -7.059 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.047 8.068 -8.081 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.863 8.900 -7.505 1.00 0.00 C ATOM 0 H THR A 35 -11.162 5.701 -5.752 1.00 0.00 H new ATOM 0 HA THR A 35 -8.977 6.279 -7.627 1.00 0.00 H new ATOM 0 HB THR A 35 -10.443 8.463 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.328 8.992 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.200 9.920 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.102 8.905 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.442 8.485 -8.421 1.00 0.00 H new ATOM 562 N TRP A 36 -7.478 6.634 -5.605 1.00 0.00 N ATOM 563 CA TRP A 36 -6.605 6.514 -4.442 1.00 0.00 C ATOM 564 C TRP A 36 -6.840 7.652 -3.448 1.00 0.00 C ATOM 565 O TRP A 36 -6.615 7.487 -2.255 1.00 0.00 O ATOM 566 CB TRP A 36 -5.139 6.427 -4.892 1.00 0.00 C ATOM 567 CG TRP A 36 -4.110 6.685 -3.825 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.196 7.703 -3.800 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.871 5.908 -2.642 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.392 7.591 -2.689 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.796 6.508 -1.961 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.464 4.770 -2.087 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.295 6.002 -0.770 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.964 4.269 -0.903 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.892 4.889 -0.253 1.00 0.00 C ATOM 0 H TRP A 36 -6.989 6.803 -6.484 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.848 5.591 -3.915 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.964 5.434 -5.306 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.984 7.142 -5.700 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.117 8.482 -4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.621 8.214 -2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.299 4.291 -2.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.462 6.473 -0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.407 3.384 -0.471 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.529 4.478 0.678 1.00 0.00 H new ATOM 586 N ASP A 37 -7.339 8.784 -3.938 1.00 0.00 N ATOM 587 CA ASP A 37 -7.583 9.965 -3.096 1.00 0.00 C ATOM 588 C ASP A 37 -8.426 9.644 -1.859 1.00 0.00 C ATOM 589 O ASP A 37 -8.012 9.908 -0.728 1.00 0.00 O ATOM 590 CB ASP A 37 -8.310 11.034 -3.912 1.00 0.00 C ATOM 591 CG ASP A 37 -8.655 12.263 -3.091 1.00 0.00 C ATOM 592 OD1 ASP A 37 -7.812 13.176 -2.996 1.00 0.00 O ATOM 593 OD2 ASP A 37 -9.780 12.330 -2.553 1.00 0.00 O ATOM 0 H ASP A 37 -7.585 8.914 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.609 10.320 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.685 11.329 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.225 10.610 -4.326 1.00 0.00 H new ATOM 598 N LEU A 38 -9.588 9.038 -2.079 1.00 0.00 N ATOM 599 CA LEU A 38 -10.505 8.728 -0.986 1.00 0.00 C ATOM 600 C LEU A 38 -9.935 7.612 -0.122 1.00 0.00 C ATOM 601 O LEU A 38 -10.080 7.619 1.108 1.00 0.00 O ATOM 602 CB LEU A 38 -11.891 8.339 -1.526 1.00 0.00 C ATOM 603 CG LEU A 38 -11.881 7.430 -2.756 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.925 6.335 -2.621 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.142 8.245 -4.012 1.00 0.00 C ATOM 0 H LEU A 38 -9.917 8.752 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.622 9.621 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.446 7.841 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.436 9.250 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.898 6.965 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.902 5.699 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.710 5.734 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.913 6.785 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.132 7.587 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.115 8.731 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.366 9.003 -4.122 1.00 0.00 H new ATOM 617 N ALA A 39 -9.256 6.672 -0.771 1.00 0.00 N ATOM 618 CA ALA A 39 -8.621 5.567 -0.074 1.00 0.00 C ATOM 619 C ALA A 39 -7.566 6.090 0.869 1.00 0.00 C ATOM 620 O ALA A 39 -7.567 5.776 2.047 1.00 0.00 O ATOM 621 CB ALA A 39 -7.978 4.618 -1.067 1.00 0.00 C ATOM 0 H ALA A 39 -9.133 6.657 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.383 5.032 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.506 3.795 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.740 4.223 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.225 5.153 -1.646 1.00 0.00 H new ATOM 627 N SER A 40 -6.698 6.921 0.324 1.00 0.00 N ATOM 628 CA SER A 40 -5.592 7.508 1.056 1.00 0.00 C ATOM 629 C SER A 40 -6.074 8.238 2.299 1.00 0.00 C ATOM 630 O SER A 40 -5.459 8.133 3.362 1.00 0.00 O ATOM 631 CB SER A 40 -4.839 8.471 0.144 1.00 0.00 C ATOM 632 OG SER A 40 -3.745 9.079 0.806 1.00 0.00 O ATOM 0 H SER A 40 -6.742 7.211 -0.653 1.00 0.00 H new ATOM 0 HA SER A 40 -4.928 6.706 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.479 7.934 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.522 9.242 -0.212 1.00 0.00 H new ATOM 0 HG SER A 40 -3.216 8.392 1.263 1.00 0.00 H new ATOM 638 N LYS A 41 -7.174 8.973 2.170 1.00 0.00 N ATOM 639 CA LYS A 41 -7.722 9.707 3.301 1.00 0.00 C ATOM 640 C LYS A 41 -8.094 8.747 4.426 1.00 0.00 C ATOM 641 O LYS A 41 -7.691 8.932 5.575 1.00 0.00 O ATOM 642 CB LYS A 41 -8.961 10.509 2.896 1.00 0.00 C ATOM 643 CG LYS A 41 -9.403 11.500 3.963 1.00 0.00 C ATOM 644 CD LYS A 41 -10.881 11.359 4.303 1.00 0.00 C ATOM 645 CE LYS A 41 -11.229 9.932 4.694 1.00 0.00 C ATOM 646 NZ LYS A 41 -12.387 9.863 5.624 1.00 0.00 N ATOM 0 H LYS A 41 -7.698 9.075 1.301 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.954 10.399 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.752 11.048 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.780 9.821 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.809 11.350 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.207 12.515 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.133 12.033 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.483 11.659 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.454 9.357 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.362 9.465 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.859 8.942 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.054 9.976 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.060 10.623 5.398 1.00 0.00 H new ATOM 660 N GLU A 42 -8.845 7.710 4.073 1.00 0.00 N ATOM 661 CA GLU A 42 -9.347 6.751 5.054 1.00 0.00 C ATOM 662 C GLU A 42 -8.221 5.816 5.498 1.00 0.00 C ATOM 663 O GLU A 42 -8.273 5.199 6.562 1.00 0.00 O ATOM 664 CB GLU A 42 -10.486 5.943 4.426 1.00 0.00 C ATOM 665 CG GLU A 42 -11.464 5.344 5.424 1.00 0.00 C ATOM 666 CD GLU A 42 -12.339 6.394 6.077 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.883 7.255 5.353 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.507 6.352 7.312 1.00 0.00 O ATOM 0 H GLU A 42 -9.121 7.510 3.112 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.718 7.284 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.036 6.588 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.057 5.138 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.095 4.614 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.910 4.807 6.194 1.00 0.00 H new ATOM 675 N LEU A 43 -7.192 5.745 4.663 1.00 0.00 N ATOM 676 CA LEU A 43 -6.062 4.856 4.871 1.00 0.00 C ATOM 677 C LEU A 43 -5.105 5.396 5.927 1.00 0.00 C ATOM 678 O LEU A 43 -4.390 4.629 6.565 1.00 0.00 O ATOM 679 CB LEU A 43 -5.290 4.704 3.554 1.00 0.00 C ATOM 680 CG LEU A 43 -4.973 3.276 3.119 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.307 2.517 4.240 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.234 2.568 2.662 1.00 0.00 C ATOM 0 H LEU A 43 -7.120 6.309 3.816 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.453 3.897 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.866 5.183 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.352 5.252 3.642 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.281 3.316 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.088 1.501 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.379 3.017 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.972 2.484 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.989 1.551 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.951 2.537 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.669 3.106 1.820 1.00 0.00 H new ATOM 694 N GLY A 44 -5.107 6.711 6.121 1.00 0.00 N ATOM 695 CA GLY A 44 -4.037 7.344 6.869 1.00 0.00 C ATOM 696 C GLY A 44 -3.910 6.886 8.305 1.00 0.00 C ATOM 697 O GLY A 44 -2.852 7.067 8.916 1.00 0.00 O ATOM 0 H GLY A 44 -5.826 7.346 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.093 7.155 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.194 8.423 6.859 1.00 0.00 H new ATOM 701 N GLU A 45 -4.955 6.288 8.861 1.00 0.00 N ATOM 702 CA GLU A 45 -4.870 5.773 10.204 1.00 0.00 C ATOM 703 C GLU A 45 -3.991 4.525 10.248 1.00 0.00 C ATOM 704 O GLU A 45 -3.320 4.258 11.247 1.00 0.00 O ATOM 705 CB GLU A 45 -6.246 5.463 10.799 1.00 0.00 C ATOM 706 CG GLU A 45 -6.916 4.225 10.228 1.00 0.00 C ATOM 707 CD GLU A 45 -7.871 3.601 11.215 1.00 0.00 C ATOM 708 OE1 GLU A 45 -7.405 2.854 12.105 1.00 0.00 O ATOM 709 OE2 GLU A 45 -9.087 3.853 11.115 1.00 0.00 O ATOM 0 H GLU A 45 -5.856 6.153 8.403 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.418 6.556 10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.142 5.340 11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.899 6.321 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.455 4.490 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.155 3.496 9.947 1.00 0.00 H new ATOM 716 N SER A 46 -3.990 3.764 9.158 1.00 0.00 N ATOM 717 CA SER A 46 -3.197 2.555 9.080 1.00 0.00 C ATOM 718 C SER A 46 -1.799 2.900 8.602 1.00 0.00 C ATOM 719 O SER A 46 -1.598 3.277 7.449 1.00 0.00 O ATOM 720 CB SER A 46 -3.874 1.547 8.150 1.00 0.00 C ATOM 721 OG SER A 46 -5.240 1.368 8.503 1.00 0.00 O ATOM 0 H SER A 46 -4.532 3.969 8.319 1.00 0.00 H new ATOM 0 HA SER A 46 -3.119 2.097 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.803 1.893 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.353 0.591 8.202 1.00 0.00 H new ATOM 0 HG SER A 46 -5.653 0.721 7.894 1.00 0.00 H new ATOM 727 N LEU A 47 -0.836 2.761 9.502 1.00 0.00 N ATOM 728 CA LEU A 47 0.503 3.291 9.302 1.00 0.00 C ATOM 729 C LEU A 47 1.287 2.582 8.203 1.00 0.00 C ATOM 730 O LEU A 47 2.419 2.973 7.925 1.00 0.00 O ATOM 731 CB LEU A 47 1.315 3.324 10.624 1.00 0.00 C ATOM 732 CG LEU A 47 1.110 2.183 11.644 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.267 2.253 12.306 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.336 0.829 10.990 1.00 0.00 C ATOM 0 H LEU A 47 -0.962 2.277 10.391 1.00 0.00 H new ATOM 0 HA LEU A 47 0.355 4.316 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.373 3.349 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.089 4.264 11.128 1.00 0.00 H new ATOM 0 HG LEU A 47 1.852 2.310 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.371 1.433 13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.371 3.203 12.830 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.042 2.173 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.186 0.040 11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.630 0.699 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.354 0.777 10.604 1.00 0.00 H new ATOM 746 N GLU A 48 0.714 1.581 7.536 1.00 0.00 N ATOM 747 CA GLU A 48 1.421 1.007 6.407 1.00 0.00 C ATOM 748 C GLU A 48 1.287 1.953 5.234 1.00 0.00 C ATOM 749 O GLU A 48 2.087 1.938 4.301 1.00 0.00 O ATOM 750 CB GLU A 48 0.826 -0.346 6.027 1.00 0.00 C ATOM 751 CG GLU A 48 1.798 -1.260 5.313 1.00 0.00 C ATOM 752 CD GLU A 48 3.109 -1.408 6.059 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.065 -1.600 7.291 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.183 -1.314 5.426 1.00 0.00 O ATOM 0 H GLU A 48 -0.195 1.170 7.748 1.00 0.00 H new ATOM 0 HA GLU A 48 2.468 0.861 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.470 -0.843 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.043 -0.184 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.343 -2.242 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.994 -0.869 4.315 1.00 0.00 H new ATOM 761 N TYR A 49 0.343 2.871 5.350 1.00 0.00 N ATOM 762 CA TYR A 49 0.201 3.903 4.353 1.00 0.00 C ATOM 763 C TYR A 49 1.176 5.034 4.664 1.00 0.00 C ATOM 764 O TYR A 49 1.509 5.845 3.807 1.00 0.00 O ATOM 765 CB TYR A 49 -1.262 4.386 4.351 1.00 0.00 C ATOM 766 CG TYR A 49 -1.463 5.844 3.999 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.312 6.297 2.701 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.804 6.757 4.977 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.483 7.633 2.389 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.987 8.092 4.683 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.822 8.529 3.385 1.00 0.00 C ATOM 772 OH TYR A 49 -1.988 9.866 3.093 1.00 0.00 O ATOM 0 H TYR A 49 -0.327 2.919 6.118 1.00 0.00 H new ATOM 0 HA TYR A 49 0.437 3.525 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.827 3.778 3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.688 4.206 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.057 5.597 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.930 6.418 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.352 7.974 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.257 8.789 5.462 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.572 9.960 2.312 1.00 0.00 H new ATOM 782 N LYS A 50 1.681 5.044 5.886 1.00 0.00 N ATOM 783 CA LYS A 50 2.735 5.964 6.247 1.00 0.00 C ATOM 784 C LYS A 50 4.104 5.325 6.005 1.00 0.00 C ATOM 785 O LYS A 50 5.139 5.998 6.034 1.00 0.00 O ATOM 786 CB LYS A 50 2.525 6.439 7.688 1.00 0.00 C ATOM 787 CG LYS A 50 2.449 7.954 7.805 1.00 0.00 C ATOM 788 CD LYS A 50 1.654 8.388 9.026 1.00 0.00 C ATOM 789 CE LYS A 50 0.229 7.851 8.977 1.00 0.00 C ATOM 790 NZ LYS A 50 -0.674 8.569 9.914 1.00 0.00 N ATOM 0 H LYS A 50 1.377 4.427 6.639 1.00 0.00 H new ATOM 0 HA LYS A 50 2.701 6.850 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.606 6.003 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.342 6.072 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.457 8.365 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.988 8.365 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.148 8.032 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.633 9.476 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.157 7.942 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.234 6.789 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.648 8.229 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.371 8.392 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.636 9.590 9.719 1.00 0.00 H new ATOM 804 N ALA A 51 4.086 4.022 5.702 1.00 0.00 N ATOM 805 CA ALA A 51 5.310 3.257 5.475 1.00 0.00 C ATOM 806 C ALA A 51 5.827 3.438 4.055 1.00 0.00 C ATOM 807 O ALA A 51 6.907 2.972 3.710 1.00 0.00 O ATOM 808 CB ALA A 51 5.059 1.789 5.767 1.00 0.00 C ATOM 0 H ALA A 51 3.230 3.476 5.609 1.00 0.00 H new ATOM 0 HA ALA A 51 6.077 3.633 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.974 1.222 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.748 1.672 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.274 1.416 5.109 1.00 0.00 H new ATOM 814 N LEU A 52 5.056 4.142 3.254 1.00 0.00 N ATOM 815 CA LEU A 52 5.393 4.389 1.866 1.00 0.00 C ATOM 816 C LEU A 52 5.579 5.876 1.681 1.00 0.00 C ATOM 817 O LEU A 52 5.296 6.430 0.623 1.00 0.00 O ATOM 818 CB LEU A 52 4.293 3.883 0.960 1.00 0.00 C ATOM 819 CG LEU A 52 4.202 2.372 0.886 1.00 0.00 C ATOM 820 CD1 LEU A 52 2.768 1.954 0.889 1.00 0.00 C ATOM 821 CD2 LEU A 52 4.879 1.895 -0.370 1.00 0.00 C ATOM 0 H LEU A 52 4.174 4.561 3.547 1.00 0.00 H new ATOM 0 HA LEU A 52 6.311 3.862 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.339 4.278 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.453 4.277 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 52 4.698 1.931 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.706 0.867 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.290 2.300 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.260 2.389 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.816 0.808 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.386 2.333 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.926 2.197 -0.356 1.00 0.00 H new ATOM 833 N GLY A 53 6.002 6.526 2.757 1.00 0.00 N ATOM 834 CA GLY A 53 6.321 7.944 2.704 1.00 0.00 C ATOM 835 C GLY A 53 7.429 8.248 1.740 1.00 0.00 C ATOM 836 O GLY A 53 7.539 9.365 1.228 1.00 0.00 O ATOM 0 H GLY A 53 6.131 6.095 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.430 8.503 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.605 8.287 3.699 1.00 0.00 H new ATOM 840 N ASP A 54 8.236 7.256 1.472 1.00 0.00 N ATOM 841 CA ASP A 54 9.263 7.392 0.472 1.00 0.00 C ATOM 842 C ASP A 54 8.772 6.735 -0.802 1.00 0.00 C ATOM 843 O ASP A 54 8.852 7.299 -1.895 1.00 0.00 O ATOM 844 CB ASP A 54 10.559 6.744 0.934 1.00 0.00 C ATOM 845 CG ASP A 54 11.144 7.381 2.177 1.00 0.00 C ATOM 846 OD1 ASP A 54 11.887 8.377 2.047 1.00 0.00 O ATOM 847 OD2 ASP A 54 10.876 6.885 3.292 1.00 0.00 O ATOM 0 H ASP A 54 8.203 6.346 1.931 1.00 0.00 H new ATOM 0 HA ASP A 54 9.468 8.448 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.378 5.687 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.291 6.799 0.128 1.00 0.00 H new ATOM 852 N GLU A 55 8.222 5.546 -0.621 1.00 0.00 N ATOM 853 CA GLU A 55 7.579 4.787 -1.674 1.00 0.00 C ATOM 854 C GLU A 55 6.199 5.379 -1.990 1.00 0.00 C ATOM 855 O GLU A 55 5.226 4.652 -2.182 1.00 0.00 O ATOM 856 CB GLU A 55 7.406 3.330 -1.222 1.00 0.00 C ATOM 857 CG GLU A 55 8.624 2.660 -0.580 1.00 0.00 C ATOM 858 CD GLU A 55 8.792 2.920 0.922 1.00 0.00 C ATOM 859 OE1 GLU A 55 8.770 4.093 1.357 1.00 0.00 O ATOM 860 OE2 GLU A 55 8.968 1.937 1.677 1.00 0.00 O ATOM 0 H GLU A 55 8.211 5.073 0.283 1.00 0.00 H new ATOM 0 HA GLU A 55 8.202 4.830 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.581 3.290 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.109 2.738 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.555 1.584 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.521 3.003 -1.095 1.00 0.00 H new ATOM 867 N ASP A 56 6.133 6.699 -2.070 1.00 0.00 N ATOM 868 CA ASP A 56 4.866 7.423 -2.186 1.00 0.00 C ATOM 869 C ASP A 56 4.108 7.007 -3.435 1.00 0.00 C ATOM 870 O ASP A 56 2.947 6.589 -3.361 1.00 0.00 O ATOM 871 CB ASP A 56 5.155 8.930 -2.226 1.00 0.00 C ATOM 872 CG ASP A 56 3.916 9.795 -2.364 1.00 0.00 C ATOM 873 OD1 ASP A 56 3.307 9.812 -3.448 1.00 0.00 O ATOM 874 OD2 ASP A 56 3.569 10.485 -1.377 1.00 0.00 O ATOM 0 H ASP A 56 6.954 7.304 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 56 4.244 7.184 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.682 9.212 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.825 9.139 -3.060 1.00 0.00 H new ATOM 879 N ASN A 57 4.786 7.051 -4.573 1.00 0.00 N ATOM 880 CA ASN A 57 4.141 6.760 -5.841 1.00 0.00 C ATOM 881 C ASN A 57 3.961 5.262 -5.996 1.00 0.00 C ATOM 882 O ASN A 57 3.146 4.806 -6.793 1.00 0.00 O ATOM 883 CB ASN A 57 4.957 7.336 -7.008 1.00 0.00 C ATOM 884 CG ASN A 57 6.448 7.306 -6.732 1.00 0.00 C ATOM 885 OD1 ASN A 57 7.191 8.196 -7.141 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.894 6.264 -6.052 1.00 0.00 N ATOM 0 H ASN A 57 5.777 7.284 -4.642 1.00 0.00 H new ATOM 0 HA ASN A 57 3.159 7.233 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.745 6.767 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.644 8.363 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.890 6.176 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.243 5.548 -5.731 1.00 0.00 H new ATOM 893 N ILE A 58 4.709 4.492 -5.205 1.00 0.00 N ATOM 894 CA ILE A 58 4.558 3.067 -5.189 1.00 0.00 C ATOM 895 C ILE A 58 3.238 2.763 -4.524 1.00 0.00 C ATOM 896 O ILE A 58 2.369 2.145 -5.113 1.00 0.00 O ATOM 897 CB ILE A 58 5.666 2.427 -4.344 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.032 3.025 -4.653 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.700 0.919 -4.519 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.307 3.210 -6.121 1.00 0.00 C ATOM 0 H ILE A 58 5.424 4.849 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 58 4.607 2.678 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 58 5.430 2.646 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.114 3.991 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.802 2.381 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.497 0.499 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.744 0.495 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.883 0.678 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.300 3.640 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.260 2.244 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.561 3.879 -6.549 1.00 0.00 H new ATOM 912 N ARG A 59 3.092 3.321 -3.326 1.00 0.00 N ATOM 913 CA ARG A 59 1.905 3.156 -2.495 1.00 0.00 C ATOM 914 C ARG A 59 0.636 3.367 -3.290 1.00 0.00 C ATOM 915 O ARG A 59 -0.235 2.495 -3.340 1.00 0.00 O ATOM 916 CB ARG A 59 1.988 4.163 -1.340 1.00 0.00 C ATOM 917 CG ARG A 59 0.689 4.472 -0.638 1.00 0.00 C ATOM 918 CD ARG A 59 0.918 5.418 0.529 1.00 0.00 C ATOM 919 NE ARG A 59 2.090 6.274 0.337 1.00 0.00 N ATOM 920 CZ ARG A 59 2.079 7.601 0.311 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.951 8.300 0.326 1.00 0.00 N ATOM 922 NH2 ARG A 59 3.234 8.229 0.255 1.00 0.00 N ATOM 0 H ARG A 59 3.807 3.910 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 59 1.873 2.137 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.695 3.783 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.400 5.095 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.013 4.919 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.235 3.548 -0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.035 6.042 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.042 4.838 1.443 1.00 0.00 H new ATOM 0 HE ARG A 59 2.991 5.812 0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.053 7.818 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.982 9.319 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.104 7.696 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.260 9.248 0.234 1.00 0.00 H new ATOM 936 N ARG A 60 0.571 4.493 -3.966 1.00 0.00 N ATOM 937 CA ARG A 60 -0.607 4.831 -4.729 1.00 0.00 C ATOM 938 C ARG A 60 -0.788 3.869 -5.903 1.00 0.00 C ATOM 939 O ARG A 60 -1.898 3.408 -6.172 1.00 0.00 O ATOM 940 CB ARG A 60 -0.509 6.276 -5.218 1.00 0.00 C ATOM 941 CG ARG A 60 0.897 6.667 -5.624 1.00 0.00 C ATOM 942 CD ARG A 60 0.931 7.932 -6.449 1.00 0.00 C ATOM 943 NE ARG A 60 -0.381 8.253 -6.993 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.967 9.429 -6.877 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.375 10.427 -6.228 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.157 9.607 -7.410 1.00 0.00 N ATOM 0 H ARG A 60 1.318 5.187 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.482 4.737 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.178 6.413 -6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.853 6.945 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.505 6.804 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.347 5.854 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.282 8.760 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.645 7.816 -7.264 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.880 7.520 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.546 10.289 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.841 11.330 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.614 8.841 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.622 10.511 -7.328 1.00 0.00 H new ATOM 960 N GLN A 61 0.310 3.530 -6.570 1.00 0.00 N ATOM 961 CA GLN A 61 0.240 2.733 -7.787 1.00 0.00 C ATOM 962 C GLN A 61 -0.080 1.266 -7.515 1.00 0.00 C ATOM 963 O GLN A 61 -0.884 0.674 -8.234 1.00 0.00 O ATOM 964 CB GLN A 61 1.534 2.863 -8.590 1.00 0.00 C ATOM 965 CG GLN A 61 1.514 4.091 -9.472 1.00 0.00 C ATOM 966 CD GLN A 61 0.248 4.114 -10.294 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.212 3.623 -11.420 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.806 4.650 -9.709 1.00 0.00 N ATOM 0 H GLN A 61 1.254 3.794 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.586 3.130 -8.376 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.383 2.916 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.674 1.974 -9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.576 4.990 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.384 4.092 -10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.724 5.045 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.703 4.670 -10.194 1.00 0.00 H new ATOM 977 N ILE A 62 0.538 0.670 -6.493 1.00 0.00 N ATOM 978 CA ILE A 62 0.225 -0.721 -6.165 1.00 0.00 C ATOM 979 C ILE A 62 -1.235 -0.826 -5.774 1.00 0.00 C ATOM 980 O ILE A 62 -1.934 -1.720 -6.237 1.00 0.00 O ATOM 981 CB ILE A 62 1.040 -1.331 -5.004 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.364 -0.636 -4.774 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.307 -2.792 -5.295 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.782 -0.670 -3.321 1.00 0.00 C ATOM 0 H ILE A 62 1.236 1.112 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 62 0.479 -1.279 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 62 0.443 -1.205 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.133 -1.112 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.291 0.400 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.882 -3.227 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.360 -3.322 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.871 -2.881 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.738 -0.159 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.027 -0.170 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.882 -1.705 -2.995 1.00 0.00 H new ATOM 996 N PHE A 63 -1.692 0.097 -4.921 1.00 0.00 N ATOM 997 CA PHE A 63 -3.095 0.132 -4.530 1.00 0.00 C ATOM 998 C PHE A 63 -3.998 0.034 -5.746 1.00 0.00 C ATOM 999 O PHE A 63 -4.936 -0.768 -5.791 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.410 1.406 -3.767 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.844 1.825 -3.915 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.826 1.146 -3.227 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.215 2.864 -4.768 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.147 1.490 -3.368 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.546 3.207 -4.915 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.511 2.515 -4.212 1.00 0.00 C ATOM 0 H PHE A 63 -1.113 0.821 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.278 -0.725 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.185 1.258 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.762 2.208 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.553 0.334 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.458 3.404 -5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.904 0.954 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.829 4.012 -5.577 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.553 2.778 -4.324 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.691 0.862 -6.722 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.448 0.932 -7.952 1.00 0.00 C ATOM 1018 C GLU A 64 -4.473 -0.439 -8.633 1.00 0.00 C ATOM 1019 O GLU A 64 -5.514 -0.913 -9.078 1.00 0.00 O ATOM 1020 CB GLU A 64 -3.796 1.980 -8.864 1.00 0.00 C ATOM 1021 CG GLU A 64 -4.728 2.598 -9.891 1.00 0.00 C ATOM 1022 CD GLU A 64 -4.034 3.638 -10.753 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -3.593 4.680 -10.209 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -3.906 3.409 -11.973 1.00 0.00 O ATOM 0 H GLU A 64 -2.904 1.509 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.478 1.221 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.384 2.775 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.959 1.517 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.132 1.813 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.573 3.059 -9.379 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.309 -1.072 -8.671 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.107 -2.332 -9.388 1.00 0.00 C ATOM 1033 C ASP A 65 -3.510 -3.575 -8.568 1.00 0.00 C ATOM 1034 O ASP A 65 -3.537 -4.680 -9.107 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.633 -2.434 -9.805 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.394 -3.424 -10.931 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.534 -3.028 -12.111 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -1.039 -4.588 -10.653 1.00 0.00 O ATOM 0 H ASP A 65 -2.470 -0.727 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.760 -2.319 -10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.282 -1.450 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.038 -2.727 -8.940 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.818 -3.399 -7.273 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.939 -4.524 -6.334 1.00 0.00 C ATOM 1045 C PHE A 66 -4.875 -5.649 -6.812 1.00 0.00 C ATOM 1046 O PHE A 66 -4.460 -6.806 -6.905 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.453 -3.989 -5.002 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.401 -3.463 -4.066 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -2.085 -3.882 -4.157 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.750 -2.579 -3.063 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -1.135 -3.416 -3.267 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.808 -2.116 -2.168 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.498 -2.532 -2.272 1.00 0.00 C ATOM 0 H PHE A 66 -3.988 -2.485 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.947 -4.967 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.168 -3.191 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.998 -4.786 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.798 -4.579 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.774 -2.246 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.109 -3.744 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.097 -1.428 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.757 -2.167 -1.576 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.114 -5.279 -7.132 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.165 -6.208 -7.594 1.00 0.00 C ATOM 1065 C LYS A 67 -7.586 -7.197 -6.491 1.00 0.00 C ATOM 1066 O LYS A 67 -6.814 -8.065 -6.090 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.745 -6.987 -8.861 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.150 -6.142 -9.992 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.009 -4.928 -10.326 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.414 -4.892 -11.798 1.00 0.00 C ATOM 1071 NZ LYS A 67 -6.247 -4.788 -12.719 1.00 0.00 N ATOM 0 H LYS A 67 -6.429 -4.310 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.022 -5.584 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.015 -7.744 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.617 -7.515 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.152 -5.810 -9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.038 -6.760 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.905 -4.938 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.460 -4.019 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.979 -5.793 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.079 -4.045 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.579 -4.547 -13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.602 -4.046 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.744 -5.698 -12.746 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.841 -7.092 -5.998 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.345 -7.907 -4.888 1.00 0.00 C ATOM 1087 C PRO A 68 -9.852 -9.283 -5.327 1.00 0.00 C ATOM 1088 O PRO A 68 -9.464 -9.802 -6.374 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.515 -7.065 -4.331 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.604 -5.856 -5.217 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.891 -6.198 -6.476 1.00 0.00 C ATOM 0 HA PRO A 68 -8.557 -8.120 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.446 -7.631 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.333 -6.779 -3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.644 -5.599 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.149 -4.990 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.547 -6.687 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.482 -5.314 -6.966 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.740 -9.842 -4.504 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.275 -11.188 -4.680 1.00 0.00 C ATOM 1101 C GLU A 69 -10.170 -12.240 -4.609 1.00 0.00 C ATOM 1102 O GLU A 69 -9.717 -12.718 -5.669 1.00 0.00 O ATOM 1103 CB GLU A 69 -12.075 -11.338 -5.978 1.00 0.00 C ATOM 1104 CG GLU A 69 -13.380 -10.559 -5.991 1.00 0.00 C ATOM 1105 CD GLU A 69 -14.348 -11.096 -7.023 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -15.092 -12.047 -6.701 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -14.374 -10.576 -8.158 1.00 0.00 O ATOM 1108 OXT GLU A 69 -9.776 -12.595 -3.478 1.00 0.00 O ATOM 0 H GLU A 69 -11.112 -9.363 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.966 -11.353 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.458 -11.008 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.292 -12.394 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.840 -10.605 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.174 -9.509 -6.198 1.00 0.00 H new TER 1115 GLU A 69