USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 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 Single : A 5 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.14) USER MOD Single : A 12 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.044) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 0.672 (180deg=-0.592!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.823 USER MOD Single : A 25 TYR OH : rot 173:sc= -2.74! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.34 (180deg=1.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0.449) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -3.32! (180deg=-4.59!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 40 SER OG : rot -79:sc= 1.04 USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= 0.697 (180deg=0.326) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.79! K(o=-2.8!,f=-2) USER MOD Single : A 61 GLN : amide:sc= -5.45! K(o=-5.4!,f=-0.96) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= -0.116 (180deg=-0.447) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.783 -3.842 -0.362 1.00 0.00 N ATOM 2 CA ASN A 5 18.164 -3.478 0.912 1.00 0.00 C ATOM 3 C ASN A 5 16.833 -2.802 0.681 1.00 0.00 C ATOM 4 O ASN A 5 15.824 -3.123 1.305 1.00 0.00 O ATOM 5 CB ASN A 5 19.077 -2.558 1.717 1.00 0.00 C ATOM 6 CG ASN A 5 18.623 -2.426 3.155 1.00 0.00 C ATOM 7 OD1 ASN A 5 18.780 -1.377 3.779 1.00 0.00 O ATOM 8 ND2 ASN A 5 18.075 -3.504 3.692 1.00 0.00 N ATOM 0 HA ASN A 5 18.003 -4.395 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 5 20.095 -2.946 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.100 -1.572 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.762 -3.487 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.965 -4.352 3.135 1.00 0.00 H new ATOM 15 N GLU A 6 16.858 -1.897 -0.256 1.00 0.00 N ATOM 16 CA GLU A 6 15.712 -1.100 -0.641 1.00 0.00 C ATOM 17 C GLU A 6 14.665 -1.961 -1.328 1.00 0.00 C ATOM 18 O GLU A 6 13.471 -1.791 -1.110 1.00 0.00 O ATOM 19 CB GLU A 6 16.221 -0.001 -1.568 1.00 0.00 C ATOM 20 CG GLU A 6 17.601 -0.328 -2.139 1.00 0.00 C ATOM 21 CD GLU A 6 17.585 -1.451 -3.157 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.386 -1.173 -4.352 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.775 -2.619 -2.748 1.00 0.00 O ATOM 0 H GLU A 6 17.698 -1.682 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 6 15.231 -0.663 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.514 0.140 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.268 0.941 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.014 0.567 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.269 -0.599 -1.321 1.00 0.00 H new ATOM 30 N ARG A 7 15.126 -2.889 -2.149 1.00 0.00 N ATOM 31 CA ARG A 7 14.249 -3.847 -2.791 1.00 0.00 C ATOM 32 C ARG A 7 13.566 -4.730 -1.760 1.00 0.00 C ATOM 33 O ARG A 7 12.382 -5.049 -1.883 1.00 0.00 O ATOM 34 CB ARG A 7 15.043 -4.688 -3.773 1.00 0.00 C ATOM 35 CG ARG A 7 15.190 -4.005 -5.110 1.00 0.00 C ATOM 36 CD ARG A 7 13.824 -3.775 -5.742 1.00 0.00 C ATOM 37 NE ARG A 7 13.152 -5.038 -6.054 1.00 0.00 N ATOM 38 CZ ARG A 7 13.175 -5.624 -7.247 1.00 0.00 C ATOM 39 NH1 ARG A 7 13.817 -5.054 -8.263 1.00 0.00 N ATOM 40 NH2 ARG A 7 12.545 -6.775 -7.419 1.00 0.00 N ATOM 0 H ARG A 7 16.112 -2.998 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 7 13.473 -3.306 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.031 -4.893 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.549 -5.650 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.704 -3.052 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.806 -4.615 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.203 -3.190 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.939 -3.189 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 7 12.632 -5.498 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.295 -4.163 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.831 -5.508 -9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.047 -7.205 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.557 -7.232 -8.331 1.00 0.00 H new ATOM 54 N ARG A 8 14.313 -5.102 -0.731 1.00 0.00 N ATOM 55 CA ARG A 8 13.769 -5.916 0.341 1.00 0.00 C ATOM 56 C ARG A 8 12.754 -5.103 1.138 1.00 0.00 C ATOM 57 O ARG A 8 11.670 -5.587 1.451 1.00 0.00 O ATOM 58 CB ARG A 8 14.901 -6.432 1.239 1.00 0.00 C ATOM 59 CG ARG A 8 14.452 -7.438 2.285 1.00 0.00 C ATOM 60 CD ARG A 8 15.588 -8.369 2.687 1.00 0.00 C ATOM 61 NE ARG A 8 16.705 -7.670 3.332 1.00 0.00 N ATOM 62 CZ ARG A 8 17.993 -7.926 3.072 1.00 0.00 C ATOM 63 NH1 ARG A 8 18.328 -8.772 2.105 1.00 0.00 N ATOM 64 NH2 ARG A 8 18.948 -7.323 3.767 1.00 0.00 N ATOM 0 H ARG A 8 15.296 -4.853 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 8 13.258 -6.781 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.666 -6.891 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.367 -5.584 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.084 -6.910 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.620 -8.024 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.203 -9.130 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.955 -8.888 1.801 1.00 0.00 H new ATOM 0 HE ARG A 8 16.488 -6.947 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.602 -9.231 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.311 -8.963 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.702 -6.661 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.928 -7.521 3.565 1.00 0.00 H new ATOM 78 N ILE A 9 13.109 -3.856 1.440 1.00 0.00 N ATOM 79 CA ILE A 9 12.197 -2.929 2.100 1.00 0.00 C ATOM 80 C ILE A 9 10.904 -2.751 1.300 1.00 0.00 C ATOM 81 O ILE A 9 9.798 -2.903 1.833 1.00 0.00 O ATOM 82 CB ILE A 9 12.859 -1.544 2.249 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.959 -1.567 3.299 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.820 -0.481 2.590 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.714 -0.261 3.360 1.00 0.00 C ATOM 0 H ILE A 9 14.028 -3.464 1.236 1.00 0.00 H new ATOM 0 HA ILE A 9 11.963 -3.350 3.078 1.00 0.00 H new ATOM 0 HB ILE A 9 13.313 -1.291 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.523 -1.779 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.654 -2.377 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.310 0.488 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.076 -0.431 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.330 -0.739 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.489 -0.324 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.173 -0.061 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.025 0.546 3.608 1.00 0.00 H new ATOM 97 N LEU A 10 11.071 -2.456 0.015 1.00 0.00 N ATOM 98 CA LEU A 10 9.981 -2.041 -0.850 1.00 0.00 C ATOM 99 C LEU A 10 8.956 -3.148 -1.032 1.00 0.00 C ATOM 100 O LEU A 10 7.765 -2.937 -0.821 1.00 0.00 O ATOM 101 CB LEU A 10 10.568 -1.642 -2.203 1.00 0.00 C ATOM 102 CG LEU A 10 9.609 -0.985 -3.195 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.289 0.438 -2.770 1.00 0.00 C ATOM 104 CD2 LEU A 10 10.216 -1.002 -4.585 1.00 0.00 C ATOM 0 H LEU A 10 11.975 -2.500 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 10 9.465 -1.197 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.398 -0.958 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.984 -2.534 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 10 8.677 -1.550 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.605 0.888 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.823 0.427 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.209 1.021 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.528 -0.532 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.158 -0.453 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.399 -2.032 -4.890 1.00 0.00 H new ATOM 116 N GLU A 11 9.424 -4.335 -1.392 1.00 0.00 N ATOM 117 CA GLU A 11 8.521 -5.422 -1.744 1.00 0.00 C ATOM 118 C GLU A 11 7.961 -6.110 -0.500 1.00 0.00 C ATOM 119 O GLU A 11 6.870 -6.684 -0.540 1.00 0.00 O ATOM 120 CB GLU A 11 9.215 -6.412 -2.683 1.00 0.00 C ATOM 121 CG GLU A 11 9.881 -5.710 -3.860 1.00 0.00 C ATOM 122 CD GLU A 11 10.195 -6.633 -5.018 1.00 0.00 C ATOM 123 OE1 GLU A 11 11.300 -7.211 -5.044 1.00 0.00 O ATOM 124 OE2 GLU A 11 9.349 -6.757 -5.928 1.00 0.00 O ATOM 0 H GLU A 11 10.415 -4.569 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 11 7.669 -5.000 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.963 -6.976 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.485 -7.131 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.229 -4.910 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.804 -5.243 -3.518 1.00 0.00 H new ATOM 131 N GLN A 12 8.694 -6.037 0.606 1.00 0.00 N ATOM 132 CA GLN A 12 8.163 -6.470 1.892 1.00 0.00 C ATOM 133 C GLN A 12 6.912 -5.671 2.237 1.00 0.00 C ATOM 134 O GLN A 12 5.866 -6.232 2.587 1.00 0.00 O ATOM 135 CB GLN A 12 9.209 -6.269 2.985 1.00 0.00 C ATOM 136 CG GLN A 12 8.693 -6.514 4.392 1.00 0.00 C ATOM 137 CD GLN A 12 9.692 -6.095 5.453 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.735 -6.661 6.544 1.00 0.00 O ATOM 139 NE2 GLN A 12 10.504 -5.092 5.143 1.00 0.00 N ATOM 0 H GLN A 12 9.651 -5.685 0.638 1.00 0.00 H new ATOM 0 HA GLN A 12 7.909 -7.528 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.049 -6.938 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.592 -5.251 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.762 -5.965 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.461 -7.572 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.439 -4.647 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.194 -4.766 5.820 1.00 0.00 H new ATOM 148 N LYS A 13 7.023 -4.352 2.117 1.00 0.00 N ATOM 149 CA LYS A 13 5.910 -3.472 2.425 1.00 0.00 C ATOM 150 C LYS A 13 4.854 -3.548 1.336 1.00 0.00 C ATOM 151 O LYS A 13 3.674 -3.457 1.620 1.00 0.00 O ATOM 152 CB LYS A 13 6.390 -2.029 2.632 1.00 0.00 C ATOM 153 CG LYS A 13 7.055 -1.809 3.985 1.00 0.00 C ATOM 154 CD LYS A 13 6.112 -2.141 5.131 1.00 0.00 C ATOM 155 CE LYS A 13 6.821 -2.137 6.471 1.00 0.00 C ATOM 156 NZ LYS A 13 5.875 -2.454 7.568 1.00 0.00 N ATOM 0 H LYS A 13 7.870 -3.874 1.810 1.00 0.00 H new ATOM 0 HA LYS A 13 5.458 -3.806 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.094 -1.770 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.541 -1.353 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.949 -2.429 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.379 -0.771 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.297 -1.418 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.665 -3.121 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.631 -2.866 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.273 -1.161 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.408 -2.696 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.272 -1.628 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.280 -3.261 7.291 1.00 0.00 H new ATOM 170 N LYS A 14 5.283 -3.746 0.096 1.00 0.00 N ATOM 171 CA LYS A 14 4.364 -3.906 -1.019 1.00 0.00 C ATOM 172 C LYS A 14 3.321 -4.980 -0.700 1.00 0.00 C ATOM 173 O LYS A 14 2.113 -4.753 -0.821 1.00 0.00 O ATOM 174 CB LYS A 14 5.158 -4.271 -2.279 1.00 0.00 C ATOM 175 CG LYS A 14 4.329 -4.271 -3.552 1.00 0.00 C ATOM 176 CD LYS A 14 5.158 -4.654 -4.770 1.00 0.00 C ATOM 177 CE LYS A 14 5.953 -3.481 -5.326 1.00 0.00 C ATOM 178 NZ LYS A 14 6.806 -3.904 -6.467 1.00 0.00 N ATOM 0 H LYS A 14 6.268 -3.800 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 14 3.835 -2.969 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.982 -3.567 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.599 -5.259 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.499 -4.969 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.897 -3.282 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.843 -5.458 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.499 -5.043 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.270 -2.696 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.577 -3.056 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.337 -3.085 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.473 -4.636 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.206 -4.288 -7.225 1.00 0.00 H new ATOM 192 N HIS A 15 3.787 -6.136 -0.250 1.00 0.00 N ATOM 193 CA HIS A 15 2.887 -7.224 0.099 1.00 0.00 C ATOM 194 C HIS A 15 2.041 -6.872 1.323 1.00 0.00 C ATOM 195 O HIS A 15 0.818 -6.993 1.285 1.00 0.00 O ATOM 196 CB HIS A 15 3.669 -8.515 0.359 1.00 0.00 C ATOM 197 CG HIS A 15 2.818 -9.664 0.825 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.271 -10.621 1.702 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.540 -10.009 0.526 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.319 -11.509 1.913 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.255 -11.165 1.212 1.00 0.00 N ATOM 0 H HIS A 15 4.777 -6.344 -0.119 1.00 0.00 H new ATOM 0 HA HIS A 15 2.219 -7.381 -0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.184 -8.806 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.436 -8.318 1.108 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.870 -9.473 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.397 -12.375 2.554 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.370 -11.672 1.184 1.00 0.00 H new ATOM 210 N TYR A 16 2.682 -6.431 2.400 1.00 0.00 N ATOM 211 CA TYR A 16 1.968 -6.153 3.642 1.00 0.00 C ATOM 212 C TYR A 16 1.061 -4.920 3.502 1.00 0.00 C ATOM 213 O TYR A 16 0.132 -4.741 4.279 1.00 0.00 O ATOM 214 CB TYR A 16 2.962 -5.984 4.801 1.00 0.00 C ATOM 215 CG TYR A 16 2.393 -6.364 6.157 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.170 -7.018 6.259 1.00 0.00 C ATOM 217 CD2 TYR A 16 3.077 -6.075 7.333 1.00 0.00 C ATOM 218 CE1 TYR A 16 0.647 -7.371 7.487 1.00 0.00 C ATOM 219 CE2 TYR A 16 2.559 -6.426 8.566 1.00 0.00 C ATOM 220 CZ TYR A 16 1.343 -7.072 8.636 1.00 0.00 C ATOM 221 OH TYR A 16 0.821 -7.426 9.861 1.00 0.00 O ATOM 0 H TYR A 16 3.687 -6.259 2.439 1.00 0.00 H new ATOM 0 HA TYR A 16 1.324 -7.004 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.843 -6.594 4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.294 -4.946 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.619 -7.254 5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.029 -5.568 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.304 -7.879 7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.104 -6.195 9.469 1.00 0.00 H new ATOM 0 HH TYR A 16 1.435 -7.145 10.572 1.00 0.00 H new ATOM 231 N PHE A 17 1.315 -4.090 2.494 1.00 0.00 N ATOM 232 CA PHE A 17 0.458 -2.950 2.206 1.00 0.00 C ATOM 233 C PHE A 17 -0.779 -3.420 1.458 1.00 0.00 C ATOM 234 O PHE A 17 -1.841 -2.832 1.582 1.00 0.00 O ATOM 235 CB PHE A 17 1.199 -1.907 1.378 1.00 0.00 C ATOM 236 CG PHE A 17 0.425 -0.641 1.171 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.086 0.149 2.253 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.035 -0.248 -0.100 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.629 1.320 2.078 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.679 0.917 -0.286 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.012 1.705 0.803 1.00 0.00 C ATOM 0 H PHE A 17 2.110 -4.188 1.863 1.00 0.00 H new ATOM 0 HA PHE A 17 0.164 -2.490 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.142 -1.669 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.445 -2.335 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.383 -0.152 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.293 -0.860 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.887 1.931 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.978 1.215 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.570 2.619 0.659 1.00 0.00 H new ATOM 251 N TRP A 18 -0.630 -4.494 0.690 1.00 0.00 N ATOM 252 CA TRP A 18 -1.772 -5.120 0.013 1.00 0.00 C ATOM 253 C TRP A 18 -2.558 -5.895 1.049 1.00 0.00 C ATOM 254 O TRP A 18 -3.777 -5.980 1.006 1.00 0.00 O ATOM 255 CB TRP A 18 -1.288 -6.063 -1.090 1.00 0.00 C ATOM 256 CG TRP A 18 -2.338 -6.611 -2.034 1.00 0.00 C ATOM 257 CD1 TRP A 18 -2.106 -7.610 -2.933 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.733 -6.228 -2.224 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.234 -7.874 -3.661 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.239 -7.059 -3.246 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.617 -5.288 -1.646 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.548 -6.978 -3.706 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.927 -5.215 -2.122 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.371 -6.059 -3.135 1.00 0.00 C ATOM 0 H TRP A 18 0.265 -4.952 0.518 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.398 -4.356 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.541 -5.536 -1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.783 -6.906 -0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.163 -8.122 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.309 -8.573 -4.400 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.284 -4.638 -0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.901 -7.626 -4.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.607 -4.492 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.393 -5.982 -3.476 1.00 0.00 H new ATOM 275 N LEU A 19 -1.830 -6.421 2.014 1.00 0.00 N ATOM 276 CA LEU A 19 -2.429 -7.149 3.106 1.00 0.00 C ATOM 277 C LEU A 19 -3.162 -6.132 3.971 1.00 0.00 C ATOM 278 O LEU A 19 -4.225 -6.392 4.520 1.00 0.00 O ATOM 279 CB LEU A 19 -1.334 -7.898 3.885 1.00 0.00 C ATOM 280 CG LEU A 19 -1.776 -9.177 4.588 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.570 -10.048 4.896 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.517 -8.840 5.864 1.00 0.00 C ATOM 0 H LEU A 19 -0.813 -6.355 2.060 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.137 -7.901 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.528 -8.146 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.918 -7.221 4.631 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.446 -9.728 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.897 -10.958 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.062 -10.308 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.116 -9.503 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.828 -9.760 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.861 -8.276 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.396 -8.241 5.627 1.00 0.00 H new ATOM 294 N LEU A 20 -2.575 -4.949 4.033 1.00 0.00 N ATOM 295 CA LEU A 20 -3.173 -3.799 4.691 1.00 0.00 C ATOM 296 C LEU A 20 -4.392 -3.294 3.905 1.00 0.00 C ATOM 297 O LEU A 20 -5.482 -3.135 4.465 1.00 0.00 O ATOM 298 CB LEU A 20 -2.117 -2.686 4.776 1.00 0.00 C ATOM 299 CG LEU A 20 -2.289 -1.652 5.884 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.643 -0.976 5.790 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.087 -2.289 7.246 1.00 0.00 C ATOM 0 H LEU A 20 -1.660 -4.758 3.624 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.507 -4.086 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.140 -3.154 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.101 -2.160 3.821 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.527 -0.884 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.740 -0.243 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.733 -0.474 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.430 -1.724 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.214 -1.535 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.820 -3.083 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.082 -2.707 7.307 1.00 0.00 H new ATOM 313 N LEU A 21 -4.204 -3.067 2.607 1.00 0.00 N ATOM 314 CA LEU A 21 -5.196 -2.436 1.774 1.00 0.00 C ATOM 315 C LEU A 21 -6.378 -3.398 1.567 1.00 0.00 C ATOM 316 O LEU A 21 -7.528 -2.971 1.516 1.00 0.00 O ATOM 317 CB LEU A 21 -4.501 -2.042 0.450 1.00 0.00 C ATOM 318 CG LEU A 21 -5.122 -0.930 -0.421 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.632 -0.884 -0.332 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.515 0.403 -0.051 1.00 0.00 C ATOM 0 H LEU A 21 -3.350 -3.321 2.111 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.607 -1.537 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.482 -1.740 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.431 -2.940 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.890 -1.160 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.010 -0.082 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.045 -1.836 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.930 -0.701 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.955 1.187 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.713 0.614 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.438 0.371 -0.218 1.00 0.00 H new ATOM 332 N GLN A 22 -6.099 -4.705 1.491 1.00 0.00 N ATOM 333 CA GLN A 22 -7.168 -5.697 1.317 1.00 0.00 C ATOM 334 C GLN A 22 -7.920 -5.930 2.625 1.00 0.00 C ATOM 335 O GLN A 22 -9.143 -6.106 2.624 1.00 0.00 O ATOM 336 CB GLN A 22 -6.626 -7.034 0.795 1.00 0.00 C ATOM 337 CG GLN A 22 -7.719 -8.082 0.593 1.00 0.00 C ATOM 338 CD GLN A 22 -7.196 -9.408 0.069 1.00 0.00 C ATOM 339 OE1 GLN A 22 -6.055 -9.785 0.326 1.00 0.00 O ATOM 340 NE2 GLN A 22 -8.035 -10.133 -0.657 1.00 0.00 N ATOM 0 H GLN A 22 -5.159 -5.096 1.546 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.855 -5.290 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.111 -6.867 -0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.886 -7.419 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.229 -8.251 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.461 -7.692 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.975 -9.786 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.741 -11.038 -1.024 1.00 0.00 H new ATOM 349 N ARG A 23 -7.184 -5.946 3.733 1.00 0.00 N ATOM 350 CA ARG A 23 -7.787 -6.086 5.057 1.00 0.00 C ATOM 351 C ARG A 23 -8.761 -4.945 5.308 1.00 0.00 C ATOM 352 O ARG A 23 -9.813 -5.128 5.926 1.00 0.00 O ATOM 353 CB ARG A 23 -6.690 -6.125 6.134 1.00 0.00 C ATOM 354 CG ARG A 23 -7.187 -5.939 7.558 1.00 0.00 C ATOM 355 CD ARG A 23 -6.983 -4.519 8.048 1.00 0.00 C ATOM 356 NE ARG A 23 -5.570 -4.174 8.103 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.895 -4.037 9.229 1.00 0.00 C ATOM 358 NH1 ARG A 23 -5.497 -4.137 10.401 1.00 0.00 N ATOM 359 NH2 ARG A 23 -3.616 -3.778 9.181 1.00 0.00 N ATOM 0 H ARG A 23 -6.167 -5.864 3.741 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.342 -7.023 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.170 -7.080 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.958 -5.347 5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.246 -6.192 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.663 -6.630 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.503 -3.826 7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.425 -4.407 9.038 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.074 -4.030 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.499 -4.323 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.960 -4.028 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.148 -3.683 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.085 -3.670 10.045 1.00 0.00 H new ATOM 373 N THR A 24 -8.415 -3.778 4.805 1.00 0.00 N ATOM 374 CA THR A 24 -9.265 -2.619 4.949 1.00 0.00 C ATOM 375 C THR A 24 -10.372 -2.633 3.899 1.00 0.00 C ATOM 376 O THR A 24 -11.555 -2.724 4.228 1.00 0.00 O ATOM 377 CB THR A 24 -8.455 -1.319 4.832 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.343 -1.358 5.739 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.330 -0.115 5.145 1.00 0.00 C ATOM 0 H THR A 24 -7.549 -3.609 4.293 1.00 0.00 H new ATOM 0 HA THR A 24 -9.713 -2.659 5.942 1.00 0.00 H new ATOM 0 HB THR A 24 -8.088 -1.227 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.650 -1.951 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.739 0.797 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.162 -0.077 4.442 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.717 -0.200 6.161 1.00 0.00 H new ATOM 387 N TYR A 25 -9.982 -2.571 2.632 1.00 0.00 N ATOM 388 CA TYR A 25 -10.942 -2.537 1.545 1.00 0.00 C ATOM 389 C TYR A 25 -11.065 -3.920 0.926 1.00 0.00 C ATOM 390 O TYR A 25 -10.287 -4.295 0.040 1.00 0.00 O ATOM 391 CB TYR A 25 -10.535 -1.503 0.493 1.00 0.00 C ATOM 392 CG TYR A 25 -10.259 -0.128 1.067 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.944 0.340 2.180 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.299 0.697 0.498 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.683 1.588 2.704 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.032 1.945 1.019 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.724 2.384 2.119 1.00 0.00 C ATOM 398 OH TYR A 25 -9.454 3.621 2.637 1.00 0.00 O ATOM 0 H TYR A 25 -9.006 -2.543 2.336 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.914 -2.242 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.644 -1.856 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.327 -1.424 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.694 -0.284 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.752 0.355 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.227 1.939 3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.282 2.574 0.563 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.675 4.003 2.182 1.00 0.00 H new ATOM 408 N THR A 26 -12.036 -4.665 1.422 1.00 0.00 N ATOM 409 CA THR A 26 -12.230 -6.062 1.074 1.00 0.00 C ATOM 410 C THR A 26 -12.839 -6.241 -0.321 1.00 0.00 C ATOM 411 O THR A 26 -12.790 -5.345 -1.166 1.00 0.00 O ATOM 412 CB THR A 26 -13.145 -6.710 2.129 1.00 0.00 C ATOM 413 OG1 THR A 26 -13.457 -5.740 3.139 1.00 0.00 O ATOM 414 CG2 THR A 26 -12.472 -7.915 2.765 1.00 0.00 C ATOM 0 H THR A 26 -12.723 -4.312 2.088 1.00 0.00 H new ATOM 0 HA THR A 26 -11.253 -6.545 1.057 1.00 0.00 H new ATOM 0 HB THR A 26 -14.059 -7.049 1.641 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.041 -6.146 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.139 -8.355 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.247 -8.654 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.547 -7.602 3.249 1.00 0.00 H new ATOM 422 N LYS A 27 -13.393 -7.424 -0.560 1.00 0.00 N ATOM 423 CA LYS A 27 -14.047 -7.735 -1.815 1.00 0.00 C ATOM 424 C LYS A 27 -15.480 -7.213 -1.806 1.00 0.00 C ATOM 425 O LYS A 27 -16.054 -6.919 -2.853 1.00 0.00 O ATOM 426 CB LYS A 27 -14.030 -9.252 -2.010 1.00 0.00 C ATOM 427 CG LYS A 27 -14.320 -10.003 -0.716 1.00 0.00 C ATOM 428 CD LYS A 27 -14.495 -11.499 -0.938 1.00 0.00 C ATOM 429 CE LYS A 27 -13.153 -12.207 -1.021 1.00 0.00 C ATOM 430 NZ LYS A 27 -13.293 -13.641 -1.377 1.00 0.00 N ATOM 0 H LYS A 27 -13.399 -8.190 0.113 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.519 -7.254 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.770 -9.528 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.056 -9.556 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.505 -9.836 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -15.223 -9.598 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.082 -11.923 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.055 -11.669 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.528 -11.710 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.640 -12.121 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.401 -14.137 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.059 -14.065 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.517 -13.727 -2.389 1.00 0.00 H new ATOM 444 N THR A 28 -16.042 -7.088 -0.611 1.00 0.00 N ATOM 445 CA THR A 28 -17.420 -6.651 -0.463 1.00 0.00 C ATOM 446 C THR A 28 -17.587 -5.696 0.720 1.00 0.00 C ATOM 447 O THR A 28 -18.406 -4.780 0.658 1.00 0.00 O ATOM 448 CB THR A 28 -18.373 -7.859 -0.314 1.00 0.00 C ATOM 449 OG1 THR A 28 -19.710 -7.415 -0.050 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.909 -8.792 0.797 1.00 0.00 C ATOM 0 H THR A 28 -15.563 -7.283 0.268 1.00 0.00 H new ATOM 0 HA THR A 28 -17.683 -6.109 -1.372 1.00 0.00 H new ATOM 0 HB THR A 28 -18.360 -8.410 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 28 -20.301 -8.192 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.599 -9.632 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.910 -9.163 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.885 -8.249 1.742 1.00 0.00 H new ATOM 458 N GLY A 29 -16.829 -5.925 1.798 1.00 0.00 N ATOM 459 CA GLY A 29 -16.876 -5.060 2.949 1.00 0.00 C ATOM 460 C GLY A 29 -16.694 -3.597 2.598 1.00 0.00 C ATOM 461 O GLY A 29 -17.627 -2.798 2.682 1.00 0.00 O ATOM 0 H GLY A 29 -16.180 -6.707 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.832 -5.190 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.099 -5.358 3.653 1.00 0.00 H new ATOM 465 N LYS A 30 -15.478 -3.251 2.222 1.00 0.00 N ATOM 466 CA LYS A 30 -15.179 -1.925 1.712 1.00 0.00 C ATOM 467 C LYS A 30 -14.737 -2.040 0.265 1.00 0.00 C ATOM 468 O LYS A 30 -13.801 -2.776 -0.043 1.00 0.00 O ATOM 469 CB LYS A 30 -14.079 -1.256 2.543 1.00 0.00 C ATOM 470 CG LYS A 30 -14.492 -0.925 3.970 1.00 0.00 C ATOM 471 CD LYS A 30 -15.312 0.355 4.044 1.00 0.00 C ATOM 472 CE LYS A 30 -14.455 1.583 3.768 1.00 0.00 C ATOM 473 NZ LYS A 30 -15.223 2.850 3.912 1.00 0.00 N ATOM 0 H LYS A 30 -14.673 -3.876 2.261 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.075 -1.308 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.210 -1.913 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.769 -0.338 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.072 -1.751 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.602 -0.822 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.127 0.309 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.766 0.441 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.608 1.594 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.048 1.520 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.595 3.598 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.606 3.131 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.006 2.707 4.582 1.00 0.00 H new ATOM 487 N PRO A 31 -15.398 -1.328 -0.646 1.00 0.00 N ATOM 488 CA PRO A 31 -15.044 -1.385 -2.047 1.00 0.00 C ATOM 489 C PRO A 31 -13.750 -0.640 -2.303 1.00 0.00 C ATOM 490 O PRO A 31 -13.552 0.467 -1.797 1.00 0.00 O ATOM 491 CB PRO A 31 -16.212 -0.720 -2.775 1.00 0.00 C ATOM 492 CG PRO A 31 -17.072 -0.077 -1.731 1.00 0.00 C ATOM 493 CD PRO A 31 -16.497 -0.397 -0.373 1.00 0.00 C ATOM 0 HA PRO A 31 -14.880 -2.407 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.850 0.022 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.781 -1.456 -3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.108 1.002 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.096 -0.444 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.139 0.503 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.246 -0.848 0.278 1.00 0.00 H new ATOM 501 N LYS A 32 -12.853 -1.271 -3.048 1.00 0.00 N ATOM 502 CA LYS A 32 -11.578 -0.674 -3.373 1.00 0.00 C ATOM 503 C LYS A 32 -11.792 0.620 -4.152 1.00 0.00 C ATOM 504 O LYS A 32 -12.386 0.615 -5.230 1.00 0.00 O ATOM 505 CB LYS A 32 -10.705 -1.678 -4.139 1.00 0.00 C ATOM 506 CG LYS A 32 -9.369 -1.122 -4.611 1.00 0.00 C ATOM 507 CD LYS A 32 -8.227 -2.101 -4.345 1.00 0.00 C ATOM 508 CE LYS A 32 -7.997 -2.335 -2.854 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.996 -3.253 -2.229 1.00 0.00 N ATOM 0 H LYS A 32 -12.992 -2.203 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.047 -0.418 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.519 -2.541 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.261 -2.037 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.421 -0.904 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.167 -0.179 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.447 -3.052 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.311 -1.718 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.998 -2.747 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.024 -1.376 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.584 -3.686 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.846 -2.714 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.254 -3.998 -2.907 1.00 0.00 H new ATOM 523 N PRO A 33 -11.347 1.734 -3.546 1.00 0.00 N ATOM 524 CA PRO A 33 -11.468 3.099 -4.068 1.00 0.00 C ATOM 525 C PRO A 33 -11.417 3.233 -5.583 1.00 0.00 C ATOM 526 O PRO A 33 -10.649 2.548 -6.257 1.00 0.00 O ATOM 527 CB PRO A 33 -10.227 3.729 -3.472 1.00 0.00 C ATOM 528 CG PRO A 33 -10.132 3.136 -2.126 1.00 0.00 C ATOM 529 CD PRO A 33 -10.665 1.746 -2.238 1.00 0.00 C ATOM 0 HA PRO A 33 -12.433 3.539 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.342 3.507 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.315 4.814 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.099 3.129 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.708 3.716 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.865 1.007 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.354 1.515 -1.426 1.00 0.00 H new ATOM 537 N SER A 34 -12.211 4.162 -6.099 1.00 0.00 N ATOM 538 CA SER A 34 -12.156 4.508 -7.506 1.00 0.00 C ATOM 539 C SER A 34 -11.009 5.491 -7.721 1.00 0.00 C ATOM 540 O SER A 34 -10.603 5.777 -8.847 1.00 0.00 O ATOM 541 CB SER A 34 -13.485 5.118 -7.953 1.00 0.00 C ATOM 542 OG SER A 34 -14.563 4.256 -7.631 1.00 0.00 O ATOM 0 H SER A 34 -12.900 4.688 -5.561 1.00 0.00 H new ATOM 0 HA SER A 34 -11.983 3.613 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.628 6.085 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.465 5.299 -9.028 1.00 0.00 H new ATOM 0 HG SER A 34 -15.406 4.663 -7.923 1.00 0.00 H new ATOM 548 N THR A 35 -10.495 6.003 -6.607 1.00 0.00 N ATOM 549 CA THR A 35 -9.378 6.934 -6.614 1.00 0.00 C ATOM 550 C THR A 35 -8.579 6.799 -5.318 1.00 0.00 C ATOM 551 O THR A 35 -9.150 6.569 -4.253 1.00 0.00 O ATOM 552 CB THR A 35 -9.861 8.389 -6.761 1.00 0.00 C ATOM 553 OG1 THR A 35 -10.838 8.483 -7.805 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.694 9.306 -7.079 1.00 0.00 C ATOM 0 H THR A 35 -10.844 5.782 -5.674 1.00 0.00 H new ATOM 0 HA THR A 35 -8.747 6.690 -7.469 1.00 0.00 H new ATOM 0 HB THR A 35 -10.310 8.697 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.139 9.412 -7.889 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.053 10.330 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.962 9.256 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.228 8.991 -8.013 1.00 0.00 H new ATOM 562 N TRP A 36 -7.265 6.952 -5.416 1.00 0.00 N ATOM 563 CA TRP A 36 -6.370 6.777 -4.271 1.00 0.00 C ATOM 564 C TRP A 36 -6.509 7.918 -3.249 1.00 0.00 C ATOM 565 O TRP A 36 -6.130 7.762 -2.091 1.00 0.00 O ATOM 566 CB TRP A 36 -4.927 6.602 -4.771 1.00 0.00 C ATOM 567 CG TRP A 36 -3.841 6.829 -3.748 1.00 0.00 C ATOM 568 CD1 TRP A 36 -2.942 7.860 -3.722 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.549 6.015 -2.601 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.101 7.729 -2.642 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.458 6.606 -1.935 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.103 4.844 -2.076 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -1.916 6.059 -0.776 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.565 4.309 -0.927 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.484 4.915 -0.287 1.00 0.00 C ATOM 0 H TRP A 36 -6.788 7.199 -6.283 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.657 5.872 -3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.821 5.592 -5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.765 7.289 -5.602 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.899 8.661 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.337 8.362 -2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.940 4.366 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.076 6.522 -0.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.987 3.405 -0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.087 4.471 0.614 1.00 0.00 H new ATOM 586 N ASP A 37 -7.092 9.045 -3.658 1.00 0.00 N ATOM 587 CA ASP A 37 -7.275 10.182 -2.746 1.00 0.00 C ATOM 588 C ASP A 37 -8.156 9.790 -1.568 1.00 0.00 C ATOM 589 O ASP A 37 -7.790 9.976 -0.410 1.00 0.00 O ATOM 590 CB ASP A 37 -7.919 11.365 -3.468 1.00 0.00 C ATOM 591 CG ASP A 37 -7.951 12.621 -2.613 1.00 0.00 C ATOM 592 OD1 ASP A 37 -6.965 13.387 -2.651 1.00 0.00 O ATOM 593 OD2 ASP A 37 -8.966 12.851 -1.912 1.00 0.00 O ATOM 0 H ASP A 37 -7.443 9.198 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.288 10.472 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.369 11.569 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.936 11.100 -3.757 1.00 0.00 H new ATOM 598 N LEU A 38 -9.311 9.213 -1.879 1.00 0.00 N ATOM 599 CA LEU A 38 -10.257 8.795 -0.850 1.00 0.00 C ATOM 600 C LEU A 38 -9.720 7.583 -0.103 1.00 0.00 C ATOM 601 O LEU A 38 -10.021 7.363 1.074 1.00 0.00 O ATOM 602 CB LEU A 38 -11.622 8.470 -1.471 1.00 0.00 C ATOM 603 CG LEU A 38 -11.581 7.587 -2.726 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.434 6.339 -2.537 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.058 8.374 -3.936 1.00 0.00 C ATOM 0 H LEU A 38 -9.615 9.024 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.384 9.617 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.236 7.974 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.120 9.406 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.550 7.274 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.390 5.728 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.056 5.765 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.467 6.630 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.025 7.738 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.081 8.712 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.411 9.238 -4.086 1.00 0.00 H new ATOM 617 N ALA A 39 -8.893 6.823 -0.800 1.00 0.00 N ATOM 618 CA ALA A 39 -8.315 5.615 -0.252 1.00 0.00 C ATOM 619 C ALA A 39 -7.300 5.944 0.814 1.00 0.00 C ATOM 620 O ALA A 39 -7.389 5.456 1.930 1.00 0.00 O ATOM 621 CB ALA A 39 -7.660 4.826 -1.359 1.00 0.00 C ATOM 0 H ALA A 39 -8.606 7.027 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.108 5.021 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.224 3.915 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.406 4.564 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.877 5.427 -1.820 1.00 0.00 H new ATOM 627 N SER A 40 -6.356 6.802 0.462 1.00 0.00 N ATOM 628 CA SER A 40 -5.305 7.210 1.374 1.00 0.00 C ATOM 629 C SER A 40 -5.862 7.983 2.565 1.00 0.00 C ATOM 630 O SER A 40 -5.342 7.892 3.674 1.00 0.00 O ATOM 631 CB SER A 40 -4.280 8.062 0.634 1.00 0.00 C ATOM 632 OG SER A 40 -4.898 9.149 -0.032 1.00 0.00 O ATOM 0 H SER A 40 -6.298 7.233 -0.461 1.00 0.00 H new ATOM 0 HA SER A 40 -4.825 6.309 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.540 8.439 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.746 7.446 -0.089 1.00 0.00 H new ATOM 0 HG SER A 40 -5.310 8.832 -0.863 1.00 0.00 H new ATOM 638 N LYS A 41 -6.921 8.739 2.323 1.00 0.00 N ATOM 639 CA LYS A 41 -7.561 9.536 3.362 1.00 0.00 C ATOM 640 C LYS A 41 -8.155 8.642 4.450 1.00 0.00 C ATOM 641 O LYS A 41 -8.033 8.927 5.642 1.00 0.00 O ATOM 642 CB LYS A 41 -8.636 10.405 2.719 1.00 0.00 C ATOM 643 CG LYS A 41 -9.280 11.425 3.641 1.00 0.00 C ATOM 644 CD LYS A 41 -9.993 12.503 2.830 1.00 0.00 C ATOM 645 CE LYS A 41 -9.901 12.218 1.332 1.00 0.00 C ATOM 646 NZ LYS A 41 -10.597 13.233 0.499 1.00 0.00 N ATOM 0 H LYS A 41 -7.361 8.819 1.406 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.818 10.173 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.196 10.931 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.416 9.755 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.991 10.929 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.520 11.882 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.040 12.555 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.551 13.476 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.852 12.176 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.328 11.236 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.152 13.276 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.598 12.970 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.529 14.164 0.957 1.00 0.00 H new ATOM 660 N GLU A 42 -8.798 7.559 4.033 1.00 0.00 N ATOM 661 CA GLU A 42 -9.348 6.591 4.978 1.00 0.00 C ATOM 662 C GLU A 42 -8.254 5.626 5.459 1.00 0.00 C ATOM 663 O GLU A 42 -8.419 4.928 6.458 1.00 0.00 O ATOM 664 CB GLU A 42 -10.497 5.811 4.329 1.00 0.00 C ATOM 665 CG GLU A 42 -11.270 4.920 5.292 1.00 0.00 C ATOM 666 CD GLU A 42 -12.666 5.431 5.575 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.818 6.334 6.424 1.00 0.00 O ATOM 668 OE2 GLU A 42 -13.621 4.925 4.950 1.00 0.00 O ATOM 0 H GLU A 42 -8.952 7.328 3.052 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.735 7.132 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.189 6.519 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.094 5.195 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.334 3.914 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.720 4.843 6.230 1.00 0.00 H new ATOM 675 N LEU A 43 -7.131 5.607 4.741 1.00 0.00 N ATOM 676 CA LEU A 43 -6.055 4.659 4.999 1.00 0.00 C ATOM 677 C LEU A 43 -5.048 5.211 6.012 1.00 0.00 C ATOM 678 O LEU A 43 -4.220 4.468 6.534 1.00 0.00 O ATOM 679 CB LEU A 43 -5.319 4.351 3.684 1.00 0.00 C ATOM 680 CG LEU A 43 -5.022 2.876 3.397 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.295 2.230 4.560 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.308 2.137 3.081 1.00 0.00 C ATOM 0 H LEU A 43 -6.945 6.246 3.968 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.499 3.754 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.913 4.746 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.375 4.895 3.686 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.367 2.818 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.097 1.183 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.352 2.748 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.913 2.293 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.085 1.089 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.986 2.206 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.779 2.584 2.205 1.00 0.00 H new ATOM 694 N GLY A 44 -5.123 6.510 6.296 1.00 0.00 N ATOM 695 CA GLY A 44 -4.053 7.164 7.039 1.00 0.00 C ATOM 696 C GLY A 44 -3.825 6.627 8.442 1.00 0.00 C ATOM 697 O GLY A 44 -2.737 6.794 8.995 1.00 0.00 O ATOM 0 H GLY A 44 -5.897 7.118 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.126 7.066 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.275 8.229 7.105 1.00 0.00 H new ATOM 701 N GLU A 45 -4.822 5.978 9.024 1.00 0.00 N ATOM 702 CA GLU A 45 -4.670 5.445 10.356 1.00 0.00 C ATOM 703 C GLU A 45 -3.810 4.187 10.329 1.00 0.00 C ATOM 704 O GLU A 45 -3.065 3.911 11.268 1.00 0.00 O ATOM 705 CB GLU A 45 -6.018 5.141 11.001 1.00 0.00 C ATOM 706 CG GLU A 45 -5.940 5.032 12.516 1.00 0.00 C ATOM 707 CD GLU A 45 -7.242 4.599 13.145 1.00 0.00 C ATOM 708 OE1 GLU A 45 -8.201 5.399 13.156 1.00 0.00 O ATOM 709 OE2 GLU A 45 -7.311 3.455 13.635 1.00 0.00 O ATOM 0 H GLU A 45 -5.733 5.812 8.595 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.176 6.207 10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.727 5.925 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.407 4.207 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.159 4.320 12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.647 5.997 12.929 1.00 0.00 H new ATOM 716 N SER A 46 -3.900 3.427 9.238 1.00 0.00 N ATOM 717 CA SER A 46 -3.096 2.232 9.098 1.00 0.00 C ATOM 718 C SER A 46 -1.735 2.616 8.562 1.00 0.00 C ATOM 719 O SER A 46 -1.586 2.995 7.400 1.00 0.00 O ATOM 720 CB SER A 46 -3.767 1.210 8.186 1.00 0.00 C ATOM 721 OG SER A 46 -4.990 0.739 8.733 1.00 0.00 O ATOM 0 H SER A 46 -4.518 3.622 8.450 1.00 0.00 H new ATOM 0 HA SER A 46 -2.987 1.764 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.954 1.660 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.093 0.369 8.025 1.00 0.00 H new ATOM 0 HG SER A 46 -5.393 0.088 8.121 1.00 0.00 H new ATOM 727 N LEU A 47 -0.749 2.496 9.426 1.00 0.00 N ATOM 728 CA LEU A 47 0.563 3.060 9.196 1.00 0.00 C ATOM 729 C LEU A 47 1.372 2.311 8.148 1.00 0.00 C ATOM 730 O LEU A 47 2.536 2.643 7.934 1.00 0.00 O ATOM 731 CB LEU A 47 1.372 3.197 10.510 1.00 0.00 C ATOM 732 CG LEU A 47 1.211 2.100 11.582 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.162 2.167 12.240 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.468 0.726 10.991 1.00 0.00 C ATOM 0 H LEU A 47 -0.837 2.001 10.313 1.00 0.00 H new ATOM 0 HA LEU A 47 0.378 4.057 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.428 3.253 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.107 4.150 10.967 1.00 0.00 H new ATOM 0 HG LEU A 47 1.956 2.278 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.244 1.381 12.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.290 3.139 12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.935 2.029 11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.349 -0.031 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.757 0.537 10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.483 0.684 10.596 1.00 0.00 H new ATOM 746 N GLU A 48 0.787 1.334 7.457 1.00 0.00 N ATOM 747 CA GLU A 48 1.547 0.693 6.404 1.00 0.00 C ATOM 748 C GLU A 48 1.505 1.576 5.181 1.00 0.00 C ATOM 749 O GLU A 48 2.366 1.521 4.304 1.00 0.00 O ATOM 750 CB GLU A 48 0.966 -0.675 6.063 1.00 0.00 C ATOM 751 CG GLU A 48 2.010 -1.670 5.617 1.00 0.00 C ATOM 752 CD GLU A 48 3.075 -1.904 6.675 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.733 -0.930 7.103 1.00 0.00 O ATOM 754 OE2 GLU A 48 3.283 -3.065 7.061 1.00 0.00 O ATOM 0 H GLU A 48 -0.162 0.987 7.600 1.00 0.00 H new ATOM 0 HA GLU A 48 2.573 0.549 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.447 -1.070 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.222 -0.560 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.527 -2.617 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.483 -1.312 4.702 1.00 0.00 H new ATOM 761 N TYR A 49 0.556 2.488 5.196 1.00 0.00 N ATOM 762 CA TYR A 49 0.489 3.503 4.181 1.00 0.00 C ATOM 763 C TYR A 49 1.379 4.668 4.585 1.00 0.00 C ATOM 764 O TYR A 49 1.713 5.539 3.778 1.00 0.00 O ATOM 765 CB TYR A 49 -0.989 3.892 3.994 1.00 0.00 C ATOM 766 CG TYR A 49 -1.278 5.370 3.872 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.131 6.018 2.660 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.709 6.111 4.965 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.401 7.366 2.533 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.982 7.459 4.850 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.827 8.083 3.637 1.00 0.00 C ATOM 772 OH TYR A 49 -2.095 9.429 3.535 1.00 0.00 O ATOM 0 H TYR A 49 -0.177 2.542 5.903 1.00 0.00 H new ATOM 0 HA TYR A 49 0.860 3.150 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.364 3.394 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.556 3.500 4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.799 5.460 1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.833 5.624 5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.281 7.857 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.316 8.020 5.710 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.384 9.772 4.406 1.00 0.00 H new ATOM 782 N LYS A 50 1.789 4.652 5.844 1.00 0.00 N ATOM 783 CA LYS A 50 2.765 5.592 6.337 1.00 0.00 C ATOM 784 C LYS A 50 4.168 5.008 6.174 1.00 0.00 C ATOM 785 O LYS A 50 5.171 5.694 6.364 1.00 0.00 O ATOM 786 CB LYS A 50 2.429 5.927 7.785 1.00 0.00 C ATOM 787 CG LYS A 50 2.507 7.407 8.112 1.00 0.00 C ATOM 788 CD LYS A 50 2.042 7.670 9.534 1.00 0.00 C ATOM 789 CE LYS A 50 0.559 7.378 9.688 1.00 0.00 C ATOM 790 NZ LYS A 50 0.125 7.423 11.108 1.00 0.00 N ATOM 0 H LYS A 50 1.453 3.989 6.543 1.00 0.00 H new ATOM 0 HA LYS A 50 2.742 6.520 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.423 5.570 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.111 5.385 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.532 7.758 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.890 7.972 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.612 7.050 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.241 8.709 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.015 8.103 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.339 6.394 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.893 7.218 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.653 6.713 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.311 8.369 11.498 1.00 0.00 H new ATOM 804 N ALA A 51 4.219 3.728 5.782 1.00 0.00 N ATOM 805 CA ALA A 51 5.483 3.018 5.614 1.00 0.00 C ATOM 806 C ALA A 51 6.029 3.309 4.246 1.00 0.00 C ATOM 807 O ALA A 51 7.070 2.798 3.834 1.00 0.00 O ATOM 808 CB ALA A 51 5.289 1.523 5.785 1.00 0.00 C ATOM 0 H ALA A 51 3.393 3.166 5.576 1.00 0.00 H new ATOM 0 HA ALA A 51 6.185 3.358 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.245 1.015 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.902 1.318 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.581 1.160 5.040 1.00 0.00 H new ATOM 814 N LEU A 52 5.299 4.156 3.567 1.00 0.00 N ATOM 815 CA LEU A 52 5.432 4.342 2.154 1.00 0.00 C ATOM 816 C LEU A 52 5.266 5.821 1.853 1.00 0.00 C ATOM 817 O LEU A 52 4.766 6.214 0.800 1.00 0.00 O ATOM 818 CB LEU A 52 4.351 3.492 1.486 1.00 0.00 C ATOM 819 CG LEU A 52 4.793 2.698 0.277 1.00 0.00 C ATOM 820 CD1 LEU A 52 6.077 1.954 0.587 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.703 1.723 -0.124 1.00 0.00 C ATOM 0 H LEU A 52 4.583 4.745 3.993 1.00 0.00 H new ATOM 0 HA LEU A 52 6.407 4.033 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.951 2.799 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.533 4.147 1.188 1.00 0.00 H new ATOM 0 HG LEU A 52 4.977 3.381 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.388 1.385 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.857 2.668 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.911 1.273 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.027 1.154 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.504 1.040 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.794 2.273 -0.367 1.00 0.00 H new ATOM 833 N GLY A 53 5.698 6.637 2.814 1.00 0.00 N ATOM 834 CA GLY A 53 5.499 8.073 2.741 1.00 0.00 C ATOM 835 C GLY A 53 6.429 8.780 1.766 1.00 0.00 C ATOM 836 O GLY A 53 6.225 9.957 1.474 1.00 0.00 O ATOM 0 H GLY A 53 6.188 6.322 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.467 8.272 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.639 8.499 3.734 1.00 0.00 H new ATOM 840 N ASP A 54 7.456 8.094 1.278 1.00 0.00 N ATOM 841 CA ASP A 54 8.341 8.686 0.273 1.00 0.00 C ATOM 842 C ASP A 54 8.179 7.955 -1.048 1.00 0.00 C ATOM 843 O ASP A 54 8.342 8.531 -2.126 1.00 0.00 O ATOM 844 CB ASP A 54 9.803 8.656 0.721 1.00 0.00 C ATOM 845 CG ASP A 54 10.682 9.516 -0.166 1.00 0.00 C ATOM 846 OD1 ASP A 54 10.261 10.644 -0.507 1.00 0.00 O ATOM 847 OD2 ASP A 54 11.803 9.084 -0.514 1.00 0.00 O ATOM 0 H ASP A 54 7.697 7.142 1.554 1.00 0.00 H new ATOM 0 HA ASP A 54 8.058 9.731 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.875 9.005 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.167 7.629 0.706 1.00 0.00 H new ATOM 852 N GLU A 55 7.839 6.681 -0.952 1.00 0.00 N ATOM 853 CA GLU A 55 7.503 5.870 -2.111 1.00 0.00 C ATOM 854 C GLU A 55 6.040 6.113 -2.475 1.00 0.00 C ATOM 855 O GLU A 55 5.294 5.175 -2.777 1.00 0.00 O ATOM 856 CB GLU A 55 7.728 4.374 -1.814 1.00 0.00 C ATOM 857 CG GLU A 55 9.180 3.974 -1.524 1.00 0.00 C ATOM 858 CD GLU A 55 9.794 4.722 -0.357 1.00 0.00 C ATOM 859 OE1 GLU A 55 9.154 4.785 0.721 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.903 5.268 -0.523 1.00 0.00 O ATOM 0 H GLU A 55 7.788 6.178 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 55 8.147 6.151 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.114 4.094 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.372 3.794 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.219 2.904 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.782 4.151 -2.415 1.00 0.00 H new ATOM 867 N ASP A 56 5.643 7.388 -2.462 1.00 0.00 N ATOM 868 CA ASP A 56 4.244 7.775 -2.638 1.00 0.00 C ATOM 869 C ASP A 56 3.662 7.163 -3.893 1.00 0.00 C ATOM 870 O ASP A 56 2.615 6.515 -3.849 1.00 0.00 O ATOM 871 CB ASP A 56 4.084 9.295 -2.753 1.00 0.00 C ATOM 872 CG ASP A 56 4.677 10.075 -1.596 1.00 0.00 C ATOM 873 OD1 ASP A 56 5.899 10.327 -1.610 1.00 0.00 O ATOM 874 OD2 ASP A 56 3.908 10.464 -0.690 1.00 0.00 O ATOM 0 H ASP A 56 6.278 8.175 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 56 3.718 7.412 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.553 9.629 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.023 9.532 -2.829 1.00 0.00 H new ATOM 879 N ASN A 57 4.363 7.342 -5.008 1.00 0.00 N ATOM 880 CA ASN A 57 3.833 6.958 -6.304 1.00 0.00 C ATOM 881 C ASN A 57 3.785 5.444 -6.428 1.00 0.00 C ATOM 882 O ASN A 57 2.905 4.909 -7.097 1.00 0.00 O ATOM 883 CB ASN A 57 4.675 7.565 -7.434 1.00 0.00 C ATOM 884 CG ASN A 57 6.166 7.360 -7.238 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.837 8.184 -6.622 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.685 6.249 -7.727 1.00 0.00 N ATOM 0 H ASN A 57 5.297 7.750 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 57 2.818 7.345 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.374 7.121 -8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.466 8.633 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.677 6.050 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.094 5.590 -8.233 1.00 0.00 H new ATOM 893 N ILE A 58 4.727 4.749 -5.780 1.00 0.00 N ATOM 894 CA ILE A 58 4.657 3.298 -5.716 1.00 0.00 C ATOM 895 C ILE A 58 3.366 2.920 -5.013 1.00 0.00 C ATOM 896 O ILE A 58 2.529 2.220 -5.563 1.00 0.00 O ATOM 897 CB ILE A 58 5.864 2.684 -4.950 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.065 2.481 -5.864 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.506 1.365 -4.287 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.842 3.737 -6.124 1.00 0.00 C ATOM 0 H ILE A 58 5.528 5.164 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 58 4.687 2.903 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 58 6.128 3.402 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.728 1.739 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.722 2.073 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.378 0.972 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.696 1.524 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.186 0.651 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.682 3.515 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.194 4.474 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.216 4.136 -5.181 1.00 0.00 H new ATOM 912 N ARG A 59 3.196 3.498 -3.832 1.00 0.00 N ATOM 913 CA ARG A 59 2.055 3.242 -2.960 1.00 0.00 C ATOM 914 C ARG A 59 0.714 3.436 -3.671 1.00 0.00 C ATOM 915 O ARG A 59 -0.134 2.535 -3.652 1.00 0.00 O ATOM 916 CB ARG A 59 2.184 4.167 -1.762 1.00 0.00 C ATOM 917 CG ARG A 59 0.964 4.248 -0.876 1.00 0.00 C ATOM 918 CD ARG A 59 1.217 5.181 0.265 1.00 0.00 C ATOM 919 NE ARG A 59 1.576 6.480 -0.244 1.00 0.00 N ATOM 920 CZ ARG A 59 1.739 7.562 0.482 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.753 7.517 1.815 1.00 0.00 N ATOM 922 NH2 ARG A 59 1.919 8.693 -0.140 1.00 0.00 N ATOM 0 H ARG A 59 3.858 4.170 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 59 2.066 2.198 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.030 3.838 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.419 5.169 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.107 4.593 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.714 3.257 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.327 5.257 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.017 4.792 0.895 1.00 0.00 H new ATOM 0 HE ARG A 59 1.715 6.566 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.635 6.626 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.882 8.374 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.930 8.718 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.049 9.553 0.393 1.00 0.00 H new ATOM 936 N ARG A 60 0.528 4.598 -4.300 1.00 0.00 N ATOM 937 CA ARG A 60 -0.677 4.832 -5.108 1.00 0.00 C ATOM 938 C ARG A 60 -0.884 3.694 -6.082 1.00 0.00 C ATOM 939 O ARG A 60 -1.948 3.073 -6.145 1.00 0.00 O ATOM 940 CB ARG A 60 -0.534 6.070 -5.986 1.00 0.00 C ATOM 941 CG ARG A 60 0.169 7.244 -5.354 1.00 0.00 C ATOM 942 CD ARG A 60 0.427 8.320 -6.380 1.00 0.00 C ATOM 943 NE ARG A 60 -0.804 8.983 -6.786 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.087 10.248 -6.533 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.265 10.994 -5.802 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.212 10.759 -6.990 1.00 0.00 N ATOM 0 H ARG A 60 1.181 5.381 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.498 4.937 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.007 5.791 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.529 6.390 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.438 7.645 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.112 6.918 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.118 9.056 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.910 7.882 -7.254 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.493 8.434 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.595 10.591 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.494 11.970 -5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.852 10.179 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.443 11.735 -6.802 1.00 0.00 H new ATOM 960 N GLN A 61 0.174 3.425 -6.823 1.00 0.00 N ATOM 961 CA GLN A 61 0.100 2.575 -7.985 1.00 0.00 C ATOM 962 C GLN A 61 -0.171 1.124 -7.611 1.00 0.00 C ATOM 963 O GLN A 61 -0.975 0.465 -8.269 1.00 0.00 O ATOM 964 CB GLN A 61 1.389 2.700 -8.805 1.00 0.00 C ATOM 965 CG GLN A 61 1.460 1.737 -9.974 1.00 0.00 C ATOM 966 CD GLN A 61 0.514 2.080 -11.119 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.784 1.730 -12.269 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.577 2.792 -10.834 1.00 0.00 N ATOM 0 H GLN A 61 1.106 3.792 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.741 2.907 -8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.474 3.720 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.244 2.528 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.481 1.718 -10.354 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.233 0.732 -9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.770 3.065 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.218 3.063 -11.580 1.00 0.00 H new ATOM 977 N ILE A 62 0.488 0.615 -6.569 1.00 0.00 N ATOM 978 CA ILE A 62 0.206 -0.756 -6.142 1.00 0.00 C ATOM 979 C ILE A 62 -1.270 -0.872 -5.799 1.00 0.00 C ATOM 980 O ILE A 62 -1.950 -1.768 -6.289 1.00 0.00 O ATOM 981 CB ILE A 62 1.019 -1.243 -4.914 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.217 -0.367 -4.630 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.499 -2.667 -5.141 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.731 -0.513 -3.215 1.00 0.00 C ATOM 0 H ILE A 62 1.194 1.109 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 62 0.500 -1.388 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 62 0.351 -1.194 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.016 -0.615 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.950 0.675 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.069 -3.001 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.640 -3.322 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.133 -2.700 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.591 0.140 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.945 -0.238 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.028 -1.547 -3.041 1.00 0.00 H new ATOM 996 N PHE A 63 -1.761 0.072 -4.992 1.00 0.00 N ATOM 997 CA PHE A 63 -3.161 0.084 -4.576 1.00 0.00 C ATOM 998 C PHE A 63 -4.099 0.001 -5.772 1.00 0.00 C ATOM 999 O PHE A 63 -5.043 -0.796 -5.796 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.456 1.332 -3.749 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.879 1.808 -3.852 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.885 1.118 -3.208 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.215 2.937 -4.593 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.196 1.535 -3.292 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.525 3.356 -4.680 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.515 2.654 -4.032 1.00 0.00 C ATOM 0 H PHE A 63 -1.205 0.839 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.335 -0.798 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.227 1.126 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.791 2.134 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.642 0.239 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.442 3.490 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.972 0.986 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.774 4.235 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.542 2.979 -4.103 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.818 0.827 -6.754 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.621 0.911 -7.956 1.00 0.00 C ATOM 1018 C GLU A 64 -4.661 -0.440 -8.683 1.00 0.00 C ATOM 1019 O GLU A 64 -5.714 -0.876 -9.158 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.032 2.003 -8.852 1.00 0.00 C ATOM 1021 CG GLU A 64 -4.931 2.437 -9.992 1.00 0.00 C ATOM 1022 CD GLU A 64 -4.312 3.565 -10.797 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -3.396 3.293 -11.602 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -4.728 4.732 -10.615 1.00 0.00 O ATOM 0 H GLU A 64 -3.021 1.464 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.649 1.164 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.801 2.873 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.089 1.646 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.125 1.587 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.893 2.759 -9.594 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.512 -1.107 -8.746 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.389 -2.369 -9.477 1.00 0.00 C ATOM 1033 C ASP A 65 -3.880 -3.570 -8.659 1.00 0.00 C ATOM 1034 O ASP A 65 -4.239 -4.595 -9.232 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.936 -2.598 -9.903 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.752 -3.903 -10.657 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -2.164 -3.976 -11.832 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -1.192 -4.858 -10.081 1.00 0.00 O ATOM 0 H ASP A 65 -2.650 -0.795 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.025 -2.287 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.610 -1.769 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.297 -2.599 -9.020 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.931 -3.415 -7.332 1.00 0.00 N ATOM 1044 CA PHE A 66 -4.148 -4.525 -6.398 1.00 0.00 C ATOM 1045 C PHE A 66 -5.234 -5.509 -6.837 1.00 0.00 C ATOM 1046 O PHE A 66 -4.980 -6.709 -6.949 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.550 -3.953 -5.041 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.421 -3.516 -4.154 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -2.131 -3.977 -4.346 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.674 -2.662 -3.096 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -1.114 -3.589 -3.493 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.665 -2.269 -2.244 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.381 -2.734 -2.441 1.00 0.00 C ATOM 0 H PHE A 66 -3.822 -2.511 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.210 -5.080 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.207 -3.099 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.134 -4.705 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.917 -4.644 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.678 -2.298 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.110 -3.955 -3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.879 -1.599 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.587 -2.431 -1.775 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.424 -4.978 -7.100 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.599 -5.774 -7.474 1.00 0.00 C ATOM 1065 C LYS A 67 -8.021 -6.723 -6.346 1.00 0.00 C ATOM 1066 O LYS A 67 -7.327 -7.689 -6.045 1.00 0.00 O ATOM 1067 CB LYS A 67 -7.353 -6.569 -8.769 1.00 0.00 C ATOM 1068 CG LYS A 67 -7.025 -5.708 -9.980 1.00 0.00 C ATOM 1069 CD LYS A 67 -8.136 -4.728 -10.290 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.804 -3.882 -11.507 1.00 0.00 C ATOM 1071 NZ LYS A 67 -6.487 -3.199 -11.366 1.00 0.00 N ATOM 0 H LYS A 67 -6.606 -3.975 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.412 -5.070 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.533 -7.268 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.239 -7.164 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.099 -5.162 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.853 -6.348 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.065 -5.271 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.303 -4.080 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.792 -4.513 -12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.585 -3.137 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.401 -2.458 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.418 -2.770 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.722 -3.892 -11.488 1.00 0.00 H new ATOM 1085 N PRO A 68 -9.184 -6.448 -5.714 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.658 -7.211 -4.548 1.00 0.00 C ATOM 1087 C PRO A 68 -10.086 -8.650 -4.874 1.00 0.00 C ATOM 1088 O PRO A 68 -9.534 -9.280 -5.781 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.854 -6.394 -4.040 1.00 0.00 C ATOM 1090 CG PRO A 68 -11.279 -5.528 -5.177 1.00 0.00 C ATOM 1091 CD PRO A 68 -10.110 -5.360 -6.082 1.00 0.00 C ATOM 0 HA PRO A 68 -8.859 -7.335 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.666 -7.048 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.575 -5.792 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.114 -5.981 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.622 -4.560 -4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.407 -5.431 -7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.645 -4.383 -5.949 1.00 0.00 H new ATOM 1099 N GLU A 69 -11.085 -9.138 -4.122 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.517 -10.539 -4.137 1.00 0.00 C ATOM 1101 C GLU A 69 -10.539 -11.372 -3.312 1.00 0.00 C ATOM 1102 O GLU A 69 -9.726 -12.110 -3.894 1.00 0.00 O ATOM 1103 CB GLU A 69 -11.659 -11.092 -5.566 1.00 0.00 C ATOM 1104 CG GLU A 69 -12.946 -11.880 -5.810 1.00 0.00 C ATOM 1105 CD GLU A 69 -13.020 -13.200 -5.059 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -12.385 -14.185 -5.502 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -13.748 -13.276 -4.043 1.00 0.00 O ATOM 1108 OXT GLU A 69 -10.572 -11.247 -2.071 1.00 0.00 O ATOM 0 H GLU A 69 -11.622 -8.558 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.510 -10.599 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.616 -10.261 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.806 -11.736 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.797 -11.263 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.042 -12.076 -6.878 1.00 0.00 H new TER 1115 GLU A 69