USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 82 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 68 ASN : amide:sc= -0.78 K(o=-1.1,f=-5.3!) USER MOD Set 2.2: A 70 ASN : amide:sc= -0.311 X(o=-1.1,f=-0.87) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -122:sc= -7.35! (180deg=-14.3!) USER MOD Set 3.2: A 77 TYR OH : rot -53:sc= -1.49 USER MOD Single : A 4 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.2) USER MOD Single : A 10 SER OG : rot 180:sc= -0.282 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 92:sc= 1.1 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -3.24! C(o=-3.2!,f=-1.7!) USER MOD Single : A 36 SER OG : rot 19:sc= -0.0669 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0907 (180deg=-0.601) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.682 K(o=-0.68,f=-0.097!) USER MOD Single : A 49 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.32 K(o=-1.3,f=-1.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00951 X(o=-0.0095,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -147:sc= -0.914! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.824 USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.58 K(o=-1.6,f=-4) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0.417 (180deg=0.295) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.410 2.739 3.458 1.00 0.00 N ATOM 44 CA LEU A 3 -15.047 2.297 3.133 1.00 0.00 C ATOM 45 C LEU A 3 -13.984 3.216 3.742 1.00 0.00 C ATOM 46 O LEU A 3 -13.620 4.231 3.148 1.00 0.00 O ATOM 47 CB LEU A 3 -14.838 2.190 1.601 1.00 0.00 C ATOM 48 CG LEU A 3 -15.738 3.090 0.720 1.00 0.00 C ATOM 49 CD1 LEU A 3 -14.965 3.646 -0.468 1.00 0.00 C ATOM 50 CD2 LEU A 3 -16.967 2.325 0.239 1.00 0.00 C ATOM 0 HA LEU A 3 -14.929 1.307 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.797 2.427 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.998 1.153 1.306 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.069 3.927 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.623 4.274 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.124 4.240 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.593 2.823 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.584 2.978 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.652 1.463 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.545 1.987 1.099 1.00 0.00 H new ATOM 62 N GLN A 4 -13.462 2.823 4.907 1.00 0.00 N ATOM 63 CA GLN A 4 -12.402 3.574 5.581 1.00 0.00 C ATOM 64 C GLN A 4 -11.067 2.896 5.294 1.00 0.00 C ATOM 65 O GLN A 4 -11.040 1.687 5.052 1.00 0.00 O ATOM 66 CB GLN A 4 -12.653 3.614 7.088 1.00 0.00 C ATOM 67 CG GLN A 4 -11.832 4.663 7.819 1.00 0.00 C ATOM 68 CD GLN A 4 -12.177 6.079 7.392 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.307 6.834 6.959 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.451 6.450 7.511 1.00 0.00 N ATOM 0 H GLN A 4 -13.759 1.984 5.405 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.388 4.599 5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.711 3.806 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.431 2.634 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.993 4.562 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.773 4.481 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.142 5.793 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.736 7.391 7.238 1.00 0.00 H new ATOM 79 N VAL A 5 -9.967 3.660 5.299 1.00 0.00 N ATOM 80 CA VAL A 5 -8.641 3.087 5.013 1.00 0.00 C ATOM 81 C VAL A 5 -7.528 3.781 5.806 1.00 0.00 C ATOM 82 O VAL A 5 -7.595 4.986 6.050 1.00 0.00 O ATOM 83 CB VAL A 5 -8.272 3.152 3.503 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.256 2.077 3.180 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.482 3.009 2.584 1.00 0.00 C ATOM 0 H VAL A 5 -9.965 4.661 5.494 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.715 2.043 5.319 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.852 4.141 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.000 2.125 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.358 2.233 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.678 1.098 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.158 3.063 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.964 2.048 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.189 3.814 2.786 1.00 0.00 H new ATOM 95 N ASP A 6 -6.495 3.007 6.182 1.00 0.00 N ATOM 96 CA ASP A 6 -5.352 3.537 6.931 1.00 0.00 C ATOM 97 C ASP A 6 -4.128 2.635 6.760 1.00 0.00 C ATOM 98 O ASP A 6 -4.214 1.428 6.990 1.00 0.00 O ATOM 99 CB ASP A 6 -5.689 3.650 8.422 1.00 0.00 C ATOM 100 CG ASP A 6 -6.767 4.678 8.706 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.551 5.867 8.391 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.827 4.294 9.242 1.00 0.00 O ATOM 0 H ASP A 6 -6.432 2.010 5.977 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.127 4.528 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.015 2.677 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.787 3.914 8.974 1.00 0.00 H new ATOM 107 N ILE A 7 -2.987 3.222 6.370 1.00 0.00 N ATOM 108 CA ILE A 7 -1.745 2.457 6.187 1.00 0.00 C ATOM 109 C ILE A 7 -0.898 2.504 7.463 1.00 0.00 C ATOM 110 O ILE A 7 -0.848 3.531 8.144 1.00 0.00 O ATOM 111 CB ILE A 7 -0.906 2.971 4.981 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.784 3.076 3.727 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.294 2.052 4.715 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.074 3.678 2.529 1.00 0.00 C ATOM 0 H ILE A 7 -2.899 4.219 6.176 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.033 1.428 5.974 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.527 3.962 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.143 2.081 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.661 3.680 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.864 2.433 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.933 2.023 5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.061 1.046 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.759 3.719 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.739 4.686 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.213 3.062 2.269 1.00 0.00 H new ATOM 126 N VAL A 8 -0.235 1.384 7.780 1.00 0.00 N ATOM 127 CA VAL A 8 0.613 1.285 8.973 1.00 0.00 C ATOM 128 C VAL A 8 2.037 0.849 8.574 1.00 0.00 C ATOM 129 O VAL A 8 2.192 -0.206 7.954 1.00 0.00 O ATOM 130 CB VAL A 8 0.051 0.264 9.999 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.789 0.372 11.327 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.448 0.456 10.213 1.00 0.00 C ATOM 0 H VAL A 8 -0.271 0.530 7.223 1.00 0.00 H new ATOM 0 HA VAL A 8 0.631 2.271 9.437 1.00 0.00 H new ATOM 0 HB VAL A 8 0.209 -0.733 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.379 -0.352 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.848 0.168 11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.668 1.378 11.730 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.809 -0.275 10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.636 1.462 10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.971 0.318 9.267 1.00 0.00 H new ATOM 142 N PRO A 9 3.107 1.629 8.908 1.00 0.00 N ATOM 143 CA PRO A 9 3.033 2.906 9.645 1.00 0.00 C ATOM 144 C PRO A 9 2.646 4.077 8.742 1.00 0.00 C ATOM 145 O PRO A 9 2.285 3.878 7.580 1.00 0.00 O ATOM 146 CB PRO A 9 4.459 3.075 10.166 1.00 0.00 C ATOM 147 CG PRO A 9 5.307 2.441 9.120 1.00 0.00 C ATOM 148 CD PRO A 9 4.506 1.289 8.570 1.00 0.00 C ATOM 0 HA PRO A 9 2.272 2.894 10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.712 4.127 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.590 2.590 11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.553 3.154 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.250 2.093 9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.642 1.187 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.807 0.343 9.021 1.00 0.00 H new ATOM 156 N SER A 10 2.732 5.299 9.281 1.00 0.00 N ATOM 157 CA SER A 10 2.401 6.506 8.524 1.00 0.00 C ATOM 158 C SER A 10 3.616 6.983 7.728 1.00 0.00 C ATOM 159 O SER A 10 3.525 7.223 6.522 1.00 0.00 O ATOM 160 CB SER A 10 1.924 7.614 9.466 1.00 0.00 C ATOM 161 OG SER A 10 2.992 8.110 10.255 1.00 0.00 O ATOM 0 H SER A 10 3.029 5.475 10.241 1.00 0.00 H new ATOM 0 HA SER A 10 1.596 6.267 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.489 8.427 8.885 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.137 7.230 10.115 1.00 0.00 H new ATOM 0 HG SER A 10 2.661 8.818 10.846 1.00 0.00 H new ATOM 167 N GLN A 11 4.759 7.099 8.416 1.00 0.00 N ATOM 168 CA GLN A 11 6.013 7.526 7.791 1.00 0.00 C ATOM 169 C GLN A 11 7.102 6.491 8.061 1.00 0.00 C ATOM 170 O GLN A 11 7.674 6.455 9.154 1.00 0.00 O ATOM 171 CB GLN A 11 6.450 8.898 8.319 1.00 0.00 C ATOM 172 CG GLN A 11 6.468 9.001 9.838 1.00 0.00 C ATOM 173 CD GLN A 11 6.546 10.437 10.324 1.00 0.00 C ATOM 174 OE1 GLN A 11 7.632 10.955 10.582 1.00 0.00 O ATOM 175 NE2 GLN A 11 5.393 11.090 10.458 1.00 0.00 N ATOM 0 H GLN A 11 4.839 6.901 9.413 1.00 0.00 H new ATOM 0 HA GLN A 11 5.852 7.611 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.447 9.122 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.779 9.659 7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.570 8.533 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.320 8.443 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.514 10.624 10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.389 12.056 10.785 1.00 0.00 H new ATOM 184 N GLY A 12 7.359 5.635 7.068 1.00 0.00 N ATOM 185 CA GLY A 12 8.353 4.587 7.219 1.00 0.00 C ATOM 186 C GLY A 12 9.783 5.058 6.998 1.00 0.00 C ATOM 187 O GLY A 12 10.022 6.052 6.314 1.00 0.00 O ATOM 0 H GLY A 12 6.893 5.652 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.271 4.163 8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.132 3.785 6.514 1.00 0.00 H new ATOM 191 N GLU A 13 10.730 4.314 7.579 1.00 0.00 N ATOM 192 CA GLU A 13 12.158 4.604 7.454 1.00 0.00 C ATOM 193 C GLU A 13 12.939 3.300 7.584 1.00 0.00 C ATOM 194 O GLU A 13 13.051 2.748 8.681 1.00 0.00 O ATOM 195 CB GLU A 13 12.613 5.599 8.525 1.00 0.00 C ATOM 196 CG GLU A 13 12.324 7.052 8.175 1.00 0.00 C ATOM 197 CD GLU A 13 12.588 7.994 9.335 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.731 8.484 9.453 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.652 8.242 10.123 1.00 0.00 O ATOM 0 H GLU A 13 10.525 3.493 8.149 1.00 0.00 H new ATOM 0 HA GLU A 13 12.345 5.055 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.120 5.357 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.684 5.480 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.939 7.347 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.284 7.147 7.864 1.00 0.00 H new ATOM 206 N ILE A 14 13.440 2.789 6.455 1.00 0.00 N ATOM 207 CA ILE A 14 14.169 1.520 6.433 1.00 0.00 C ATOM 208 C ILE A 14 15.506 1.670 5.683 1.00 0.00 C ATOM 209 O ILE A 14 15.733 2.674 5.011 1.00 0.00 O ATOM 210 CB ILE A 14 13.230 0.425 5.806 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.167 0.011 6.848 1.00 0.00 C ATOM 212 CG2 ILE A 14 13.972 -0.809 5.278 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.844 0.731 6.683 1.00 0.00 C ATOM 0 H ILE A 14 13.353 3.237 5.543 1.00 0.00 H new ATOM 0 HA ILE A 14 14.433 1.209 7.444 1.00 0.00 H new ATOM 0 HB ILE A 14 12.759 0.876 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.998 -1.063 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.555 0.206 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.253 -1.515 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.674 -0.507 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.516 -1.283 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.147 0.390 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.999 1.805 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.433 0.516 5.696 1.00 0.00 H new ATOM 225 N SER A 15 16.393 0.673 5.817 1.00 0.00 N ATOM 226 CA SER A 15 17.703 0.704 5.155 1.00 0.00 C ATOM 227 C SER A 15 17.723 -0.197 3.916 1.00 0.00 C ATOM 228 O SER A 15 16.970 -1.182 3.814 1.00 0.00 O ATOM 229 CB SER A 15 18.835 0.299 6.120 1.00 0.00 C ATOM 230 OG SER A 15 18.331 -0.194 7.350 1.00 0.00 O ATOM 0 H SER A 15 16.226 -0.163 6.377 1.00 0.00 H new ATOM 0 HA SER A 15 17.874 1.733 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.456 -0.464 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.476 1.160 6.309 1.00 0.00 H new ATOM 0 HG SER A 15 18.232 -1.167 7.296 1.00 0.00 H new ATOM 236 N VAL A 16 18.626 0.130 2.986 1.00 0.00 N ATOM 237 CA VAL A 16 18.784 -0.642 1.754 1.00 0.00 C ATOM 238 C VAL A 16 19.297 -2.039 2.080 1.00 0.00 C ATOM 239 O VAL A 16 20.151 -2.204 2.955 1.00 0.00 O ATOM 240 CB VAL A 16 19.742 0.044 0.744 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.694 -0.658 -0.608 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.400 1.521 0.581 1.00 0.00 C ATOM 0 H VAL A 16 19.259 0.926 3.065 1.00 0.00 H new ATOM 0 HA VAL A 16 17.803 -0.703 1.284 1.00 0.00 H new ATOM 0 HB VAL A 16 20.754 -0.033 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.373 -0.161 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.996 -1.699 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.679 -0.618 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.087 1.977 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.378 1.620 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.490 2.024 1.544 1.00 0.00 H new ATOM 252 N GLY A 17 18.738 -3.036 1.397 1.00 0.00 N ATOM 253 CA GLY A 17 19.111 -4.415 1.646 1.00 0.00 C ATOM 254 C GLY A 17 18.145 -5.113 2.593 1.00 0.00 C ATOM 255 O GLY A 17 18.129 -6.345 2.645 1.00 0.00 O ATOM 0 H GLY A 17 18.031 -2.910 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.144 -4.956 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.116 -4.447 2.067 1.00 0.00 H new ATOM 259 N GLU A 18 17.319 -4.339 3.340 1.00 0.00 N ATOM 260 CA GLU A 18 16.346 -4.935 4.262 1.00 0.00 C ATOM 261 C GLU A 18 14.923 -4.610 3.807 1.00 0.00 C ATOM 262 O GLU A 18 14.694 -3.596 3.142 1.00 0.00 O ATOM 263 CB GLU A 18 16.609 -4.494 5.704 1.00 0.00 C ATOM 264 CG GLU A 18 16.547 -3.001 5.927 1.00 0.00 C ATOM 265 CD GLU A 18 16.251 -2.651 7.377 1.00 0.00 C ATOM 266 OE1 GLU A 18 15.069 -2.707 7.775 1.00 0.00 O ATOM 267 OE2 GLU A 18 17.206 -2.340 8.118 1.00 0.00 O ATOM 0 H GLU A 18 17.313 -3.319 3.317 1.00 0.00 H new ATOM 0 HA GLU A 18 16.460 -6.019 4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.880 -4.976 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.593 -4.853 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.495 -2.551 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.777 -2.571 5.286 1.00 0.00 H new ATOM 274 N SER A 19 13.985 -5.515 4.107 1.00 0.00 N ATOM 275 CA SER A 19 12.593 -5.371 3.667 1.00 0.00 C ATOM 276 C SER A 19 11.754 -4.411 4.518 1.00 0.00 C ATOM 277 O SER A 19 12.142 -4.024 5.620 1.00 0.00 O ATOM 278 CB SER A 19 11.923 -6.740 3.614 1.00 0.00 C ATOM 279 OG SER A 19 11.690 -7.253 4.914 1.00 0.00 O ATOM 0 H SER A 19 14.165 -6.357 4.654 1.00 0.00 H new ATOM 0 HA SER A 19 12.639 -4.924 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.978 -6.663 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.552 -7.433 3.055 1.00 0.00 H new ATOM 0 HG SER A 19 11.258 -8.130 4.847 1.00 0.00 H new ATOM 285 N LYS A 20 10.589 -4.036 3.964 1.00 0.00 N ATOM 286 CA LYS A 20 9.650 -3.116 4.619 1.00 0.00 C ATOM 287 C LYS A 20 8.246 -3.287 4.035 1.00 0.00 C ATOM 288 O LYS A 20 8.048 -3.079 2.835 1.00 0.00 O ATOM 289 CB LYS A 20 10.095 -1.648 4.441 1.00 0.00 C ATOM 290 CG LYS A 20 10.670 -1.333 3.060 1.00 0.00 C ATOM 291 CD LYS A 20 10.444 0.126 2.638 1.00 0.00 C ATOM 292 CE LYS A 20 9.930 0.235 1.200 1.00 0.00 C ATOM 293 NZ LYS A 20 10.344 1.498 0.513 1.00 0.00 N ATOM 0 H LYS A 20 10.274 -4.363 3.051 1.00 0.00 H new ATOM 0 HA LYS A 20 9.639 -3.356 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.241 -0.996 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.844 -1.412 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.739 -1.545 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.214 -1.994 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.728 0.592 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.378 0.679 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.294 -0.617 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.842 0.174 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.498 2.016 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.888 2.090 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.934 1.267 -0.312 1.00 0.00 H new ATOM 307 N PHE A 21 7.268 -3.655 4.880 1.00 0.00 N ATOM 308 CA PHE A 21 5.880 -3.833 4.423 1.00 0.00 C ATOM 309 C PHE A 21 4.959 -2.775 5.026 1.00 0.00 C ATOM 310 O PHE A 21 5.241 -2.237 6.098 1.00 0.00 O ATOM 311 CB PHE A 21 5.354 -5.239 4.739 1.00 0.00 C ATOM 312 CG PHE A 21 5.348 -5.593 6.196 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.314 -5.183 7.025 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.377 -6.346 6.731 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.310 -5.516 8.364 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.380 -6.684 8.070 1.00 0.00 C ATOM 317 CZ PHE A 21 5.346 -6.267 8.890 1.00 0.00 C ATOM 0 H PHE A 21 7.411 -3.834 5.874 1.00 0.00 H new ATOM 0 HA PHE A 21 5.884 -3.711 3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.338 -5.327 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.962 -5.968 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.503 -4.597 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.187 -6.673 6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.500 -5.191 9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.188 -7.273 8.477 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.348 -6.527 9.938 1.00 0.00 H new ATOM 327 N PHE A 22 3.860 -2.472 4.319 1.00 0.00 N ATOM 328 CA PHE A 22 2.895 -1.456 4.778 1.00 0.00 C ATOM 329 C PHE A 22 1.465 -2.000 4.756 1.00 0.00 C ATOM 330 O PHE A 22 0.922 -2.323 3.703 1.00 0.00 O ATOM 331 CB PHE A 22 3.039 -0.196 3.928 1.00 0.00 C ATOM 332 CG PHE A 22 4.425 0.369 4.030 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.449 -0.136 3.246 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.714 1.367 4.944 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.736 0.349 3.368 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.997 1.861 5.067 1.00 0.00 C ATOM 337 CZ PHE A 22 7.011 1.349 4.277 1.00 0.00 C ATOM 0 H PHE A 22 3.616 -2.912 3.432 1.00 0.00 H new ATOM 0 HA PHE A 22 3.113 -1.198 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.813 -0.428 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.314 0.550 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.238 -0.918 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.927 1.764 5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.526 -0.054 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.209 2.646 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.016 1.732 4.372 1.00 0.00 H new ATOM 347 N LEU A 23 0.882 -2.138 5.949 1.00 0.00 N ATOM 348 CA LEU A 23 -0.462 -2.706 6.109 1.00 0.00 C ATOM 349 C LEU A 23 -1.602 -1.733 5.779 1.00 0.00 C ATOM 350 O LEU A 23 -1.853 -0.787 6.519 1.00 0.00 O ATOM 351 CB LEU A 23 -0.612 -3.213 7.550 1.00 0.00 C ATOM 352 CG LEU A 23 -1.642 -4.322 7.770 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.363 -5.510 6.862 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.636 -4.762 9.228 1.00 0.00 C ATOM 0 H LEU A 23 1.323 -1.862 6.826 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.550 -3.518 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.359 -3.574 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.877 -2.368 8.185 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.627 -3.927 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.109 -6.285 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.409 -5.191 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.371 -5.907 7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.373 -5.552 9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.647 -5.136 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.884 -3.913 9.865 1.00 0.00 H new ATOM 366 N CYS A 24 -2.325 -2.015 4.681 1.00 0.00 N ATOM 367 CA CYS A 24 -3.474 -1.196 4.269 1.00 0.00 C ATOM 368 C CYS A 24 -4.754 -1.799 4.851 1.00 0.00 C ATOM 369 O CYS A 24 -5.384 -2.656 4.228 1.00 0.00 O ATOM 370 CB CYS A 24 -3.554 -1.103 2.729 1.00 0.00 C ATOM 371 SG CYS A 24 -4.997 -0.202 2.049 1.00 0.00 S ATOM 0 H CYS A 24 -2.132 -2.804 4.064 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.353 -0.182 4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.646 -0.620 2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.560 -2.115 2.324 1.00 0.00 H new ATOM 376 N GLN A 25 -5.115 -1.351 6.058 1.00 0.00 N ATOM 377 CA GLN A 25 -6.304 -1.848 6.742 1.00 0.00 C ATOM 378 C GLN A 25 -7.539 -1.063 6.322 1.00 0.00 C ATOM 379 O GLN A 25 -7.430 0.071 5.852 1.00 0.00 O ATOM 380 CB GLN A 25 -6.113 -1.770 8.261 1.00 0.00 C ATOM 381 CG GLN A 25 -5.394 -2.980 8.838 1.00 0.00 C ATOM 382 CD GLN A 25 -4.527 -2.636 10.037 1.00 0.00 C ATOM 383 OE1 GLN A 25 -4.986 -2.671 11.177 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.265 -2.300 9.782 1.00 0.00 N ATOM 0 H GLN A 25 -4.597 -0.644 6.579 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.451 -2.890 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.548 -0.870 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.088 -1.673 8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.130 -3.728 9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.773 -3.430 8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.926 -2.284 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.637 -2.058 10.548 1.00 0.00 H new ATOM 393 N VAL A 26 -8.713 -1.678 6.490 1.00 0.00 N ATOM 394 CA VAL A 26 -9.976 -1.046 6.125 1.00 0.00 C ATOM 395 C VAL A 26 -10.947 -1.015 7.305 1.00 0.00 C ATOM 396 O VAL A 26 -10.714 -1.665 8.326 1.00 0.00 O ATOM 397 CB VAL A 26 -10.628 -1.771 4.924 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.732 -1.657 3.700 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.923 -3.242 5.243 1.00 0.00 C ATOM 0 H VAL A 26 -8.811 -2.616 6.878 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.753 -0.018 5.838 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.582 -1.287 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.198 -2.170 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.589 -0.606 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.765 -2.114 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.380 -3.718 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.993 -3.754 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.605 -3.301 6.091 1.00 0.00 H new ATOM 409 N ALA A 27 -12.038 -0.264 7.146 1.00 0.00 N ATOM 410 CA ALA A 27 -13.053 -0.151 8.186 1.00 0.00 C ATOM 411 C ALA A 27 -14.389 0.283 7.585 1.00 0.00 C ATOM 412 O ALA A 27 -14.611 1.471 7.335 1.00 0.00 O ATOM 413 CB ALA A 27 -12.591 0.810 9.280 1.00 0.00 C ATOM 0 H ALA A 27 -12.238 0.275 6.304 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.199 -1.130 8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.360 0.883 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.668 0.438 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.415 1.795 8.848 1.00 0.00 H new ATOM 504 N ASP A 34 -12.585 -2.678 -3.304 1.00 0.00 N ATOM 505 CA ASP A 34 -11.441 -3.151 -4.089 1.00 0.00 C ATOM 506 C ASP A 34 -10.170 -2.392 -3.724 1.00 0.00 C ATOM 507 O ASP A 34 -10.071 -1.192 -3.980 1.00 0.00 O ATOM 508 CB ASP A 34 -11.732 -2.961 -5.579 1.00 0.00 C ATOM 509 CG ASP A 34 -12.861 -3.848 -6.066 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.803 -5.072 -5.821 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.803 -3.320 -6.694 1.00 0.00 O ATOM 0 HA ASP A 34 -11.288 -4.207 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.987 -1.918 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.831 -3.177 -6.153 1.00 0.00 H new ATOM 516 N ILE A 35 -9.201 -3.101 -3.132 1.00 0.00 N ATOM 517 CA ILE A 35 -7.928 -2.496 -2.728 1.00 0.00 C ATOM 518 C ILE A 35 -6.991 -2.300 -3.934 1.00 0.00 C ATOM 519 O ILE A 35 -7.105 -2.989 -4.949 1.00 0.00 O ATOM 520 CB ILE A 35 -7.214 -3.353 -1.638 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.151 -3.617 -0.446 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.924 -2.682 -1.154 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.961 -4.894 -0.572 1.00 0.00 C ATOM 0 H ILE A 35 -9.276 -4.096 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.160 -1.518 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.951 -4.307 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.557 -3.663 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.834 -2.774 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.452 -3.306 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.242 -2.555 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.159 -1.707 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.596 -5.010 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.583 -4.844 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.286 -5.747 -0.647 1.00 0.00 H new ATOM 535 N SER A 36 -6.057 -1.354 -3.786 1.00 0.00 N ATOM 536 CA SER A 36 -5.068 -1.038 -4.817 1.00 0.00 C ATOM 537 C SER A 36 -3.809 -0.483 -4.149 1.00 0.00 C ATOM 538 O SER A 36 -3.883 0.002 -3.022 1.00 0.00 O ATOM 539 CB SER A 36 -5.635 -0.014 -5.805 1.00 0.00 C ATOM 540 OG SER A 36 -6.462 -0.640 -6.772 1.00 0.00 O ATOM 0 H SER A 36 -5.967 -0.785 -2.944 1.00 0.00 H new ATOM 0 HA SER A 36 -4.820 -1.945 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.209 0.739 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.817 0.506 -6.304 1.00 0.00 H new ATOM 0 HG SER A 36 -6.740 -1.521 -6.444 1.00 0.00 H new ATOM 546 N TRP A 37 -2.660 -0.561 -4.830 1.00 0.00 N ATOM 547 CA TRP A 37 -1.391 -0.063 -4.272 1.00 0.00 C ATOM 548 C TRP A 37 -0.618 0.744 -5.311 1.00 0.00 C ATOM 549 O TRP A 37 -0.093 0.176 -6.267 1.00 0.00 O ATOM 550 CB TRP A 37 -0.537 -1.233 -3.769 1.00 0.00 C ATOM 551 CG TRP A 37 -0.794 -1.573 -2.333 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.539 -2.614 -1.860 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.317 -0.864 -1.182 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.550 -2.602 -0.488 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.808 -1.539 -0.048 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.483 0.273 -0.998 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.526 -1.115 1.248 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.756 0.694 0.294 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.255 0.001 1.400 1.00 0.00 C ATOM 0 H TRP A 37 -2.579 -0.962 -5.764 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.623 0.593 -3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.734 -2.110 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.517 -0.986 -3.895 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.046 -3.342 -2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.032 -3.275 0.107 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.879 0.810 -1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.910 -1.648 2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.366 1.572 0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.488 0.352 2.394 1.00 0.00 H new ATOM 570 N PHE A 38 -0.551 2.070 -5.111 1.00 0.00 N ATOM 571 CA PHE A 38 0.150 2.967 -6.043 1.00 0.00 C ATOM 572 C PHE A 38 1.454 3.495 -5.474 1.00 0.00 C ATOM 573 O PHE A 38 1.447 4.309 -4.552 1.00 0.00 O ATOM 574 CB PHE A 38 -0.720 4.167 -6.406 1.00 0.00 C ATOM 575 CG PHE A 38 -2.058 3.798 -6.963 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.057 3.315 -6.141 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.307 3.937 -8.310 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.292 2.976 -6.659 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.538 3.601 -8.840 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.533 3.118 -8.012 1.00 0.00 C ATOM 0 H PHE A 38 -0.973 2.544 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 38 0.365 2.366 -6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.864 4.781 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.190 4.780 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.871 3.201 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.531 4.313 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.067 2.601 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.722 3.716 -9.898 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.496 2.852 -8.421 1.00 0.00 H new ATOM 590 N SER A 39 2.573 3.066 -6.059 1.00 0.00 N ATOM 591 CA SER A 39 3.895 3.528 -5.632 1.00 0.00 C ATOM 592 C SER A 39 4.030 5.047 -5.842 1.00 0.00 C ATOM 593 O SER A 39 3.338 5.603 -6.717 1.00 0.00 O ATOM 594 CB SER A 39 5.004 2.784 -6.378 1.00 0.00 C ATOM 595 OG SER A 39 5.095 3.219 -7.717 1.00 0.00 O ATOM 0 H SER A 39 2.591 2.399 -6.830 1.00 0.00 H new ATOM 0 HA SER A 39 4.000 3.313 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.957 2.945 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.808 1.712 -6.353 1.00 0.00 H new ATOM 0 HG SER A 39 5.812 2.730 -8.172 1.00 0.00 H new ATOM 601 N PRO A 40 4.918 5.731 -5.033 1.00 0.00 N ATOM 602 CA PRO A 40 5.173 7.189 -5.061 1.00 0.00 C ATOM 603 C PRO A 40 4.900 7.870 -6.408 1.00 0.00 C ATOM 604 O PRO A 40 3.903 8.584 -6.544 1.00 0.00 O ATOM 605 CB PRO A 40 6.660 7.285 -4.644 1.00 0.00 C ATOM 606 CG PRO A 40 7.049 5.911 -4.169 1.00 0.00 C ATOM 607 CD PRO A 40 5.773 5.138 -3.995 1.00 0.00 C ATOM 0 HA PRO A 40 4.490 7.724 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.281 7.598 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.797 8.024 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.702 5.422 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.599 5.967 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.919 4.069 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.352 5.263 -2.998 1.00 0.00 H new ATOM 651 N LYS A 44 -0.273 2.327 -9.722 1.00 0.00 N ATOM 652 CA LYS A 44 -0.538 0.945 -9.299 1.00 0.00 C ATOM 653 C LYS A 44 0.556 -0.041 -9.727 1.00 0.00 C ATOM 654 O LYS A 44 0.552 -0.544 -10.852 1.00 0.00 O ATOM 655 CB LYS A 44 -1.908 0.449 -9.753 1.00 0.00 C ATOM 656 CG LYS A 44 -2.507 -0.559 -8.770 1.00 0.00 C ATOM 657 CD LYS A 44 -4.020 -0.463 -8.701 1.00 0.00 C ATOM 658 CE LYS A 44 -4.658 -1.041 -9.945 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.353 -2.491 -10.105 1.00 0.00 N ATOM 0 HA LYS A 44 -0.533 0.979 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.584 1.298 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.819 -0.013 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.222 -1.568 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.088 -0.389 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.382 -0.996 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.317 0.580 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.738 -0.900 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.304 -0.497 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.051 -2.924 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.400 -2.603 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.394 -2.959 -9.177 1.00 0.00 H new ATOM 673 N LEU A 45 1.485 -0.308 -8.800 1.00 0.00 N ATOM 674 CA LEU A 45 2.590 -1.233 -9.049 1.00 0.00 C ATOM 675 C LEU A 45 2.077 -2.669 -9.139 1.00 0.00 C ATOM 676 O LEU A 45 1.095 -3.024 -8.483 1.00 0.00 O ATOM 677 CB LEU A 45 3.648 -1.115 -7.941 1.00 0.00 C ATOM 678 CG LEU A 45 3.134 -1.383 -6.512 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.290 -2.853 -6.149 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.856 -0.506 -5.488 1.00 0.00 C ATOM 0 H LEU A 45 1.490 0.107 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 45 3.051 -0.969 -10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.456 -1.814 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.076 -0.113 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 45 2.074 -1.128 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.921 -3.019 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.718 -3.463 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.343 -3.131 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.471 -0.719 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.925 -0.718 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.687 0.544 -5.725 1.00 0.00 H new ATOM 692 N SER A 46 2.743 -3.489 -9.962 1.00 0.00 N ATOM 693 CA SER A 46 2.352 -4.889 -10.146 1.00 0.00 C ATOM 694 C SER A 46 2.539 -5.691 -8.846 1.00 0.00 C ATOM 695 O SER A 46 3.413 -5.360 -8.040 1.00 0.00 O ATOM 696 CB SER A 46 3.158 -5.522 -11.297 1.00 0.00 C ATOM 697 OG SER A 46 2.301 -5.934 -12.348 1.00 0.00 O ATOM 0 H SER A 46 3.555 -3.205 -10.510 1.00 0.00 H new ATOM 0 HA SER A 46 1.294 -4.916 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.885 -4.803 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.721 -6.378 -10.924 1.00 0.00 H new ATOM 0 HG SER A 46 2.834 -6.331 -13.068 1.00 0.00 H new ATOM 703 N PRO A 47 1.724 -6.756 -8.619 1.00 0.00 N ATOM 704 CA PRO A 47 1.829 -7.580 -7.408 1.00 0.00 C ATOM 705 C PRO A 47 3.039 -8.515 -7.437 1.00 0.00 C ATOM 706 O PRO A 47 3.600 -8.840 -6.390 1.00 0.00 O ATOM 707 CB PRO A 47 0.523 -8.382 -7.413 1.00 0.00 C ATOM 708 CG PRO A 47 0.168 -8.509 -8.852 1.00 0.00 C ATOM 709 CD PRO A 47 0.644 -7.242 -9.513 1.00 0.00 C ATOM 0 HA PRO A 47 1.969 -6.974 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.656 -9.360 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.260 -7.869 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.645 -9.383 -9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.907 -8.634 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.015 -7.432 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.160 -6.511 -9.602 1.00 0.00 H new ATOM 717 N ASN A 48 3.430 -8.953 -8.641 1.00 0.00 N ATOM 718 CA ASN A 48 4.569 -9.860 -8.810 1.00 0.00 C ATOM 719 C ASN A 48 5.652 -9.234 -9.703 1.00 0.00 C ATOM 720 O ASN A 48 6.111 -9.848 -10.675 1.00 0.00 O ATOM 721 CB ASN A 48 4.089 -11.198 -9.397 1.00 0.00 C ATOM 722 CG ASN A 48 3.315 -11.025 -10.695 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.820 -10.448 -11.657 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.081 -11.526 -10.731 1.00 0.00 N ATOM 0 H ASN A 48 2.971 -8.692 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 48 5.013 -10.040 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.950 -11.842 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.458 -11.705 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.519 -11.438 -11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.698 -11.998 -9.912 1.00 0.00 H new ATOM 731 N GLN A 49 6.070 -8.010 -9.357 1.00 0.00 N ATOM 732 CA GLN A 49 7.107 -7.312 -10.120 1.00 0.00 C ATOM 733 C GLN A 49 8.465 -8.008 -9.937 1.00 0.00 C ATOM 734 O GLN A 49 8.860 -8.818 -10.778 1.00 0.00 O ATOM 735 CB GLN A 49 7.183 -5.832 -9.711 1.00 0.00 C ATOM 736 CG GLN A 49 6.002 -4.999 -10.181 1.00 0.00 C ATOM 737 CD GLN A 49 6.231 -3.506 -10.000 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.015 -2.720 -10.922 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.675 -3.104 -8.807 1.00 0.00 N ATOM 0 H GLN A 49 5.708 -7.487 -8.559 1.00 0.00 H new ATOM 0 HA GLN A 49 6.845 -7.351 -11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.250 -5.769 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.101 -5.402 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.810 -5.209 -11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.110 -5.296 -9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.842 -3.787 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.847 -2.114 -8.634 1.00 0.00 H new ATOM 748 N GLN A 50 9.165 -7.709 -8.831 1.00 0.00 N ATOM 749 CA GLN A 50 10.462 -8.326 -8.544 1.00 0.00 C ATOM 750 C GLN A 50 10.683 -8.402 -7.031 1.00 0.00 C ATOM 751 O GLN A 50 10.610 -9.478 -6.435 1.00 0.00 O ATOM 752 CB GLN A 50 11.646 -7.576 -9.222 1.00 0.00 C ATOM 753 CG GLN A 50 11.317 -6.817 -10.508 1.00 0.00 C ATOM 754 CD GLN A 50 11.307 -7.701 -11.747 1.00 0.00 C ATOM 755 OE1 GLN A 50 10.345 -7.694 -12.514 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.385 -8.457 -11.964 1.00 0.00 N ATOM 0 H GLN A 50 8.852 -7.044 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 50 10.439 -9.331 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.060 -6.869 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.429 -8.301 -9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.341 -6.343 -10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.046 -6.019 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.163 -8.436 -11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.431 -9.056 -12.789 1.00 0.00 H new ATOM 765 N ARG A 51 10.954 -7.247 -6.428 1.00 0.00 N ATOM 766 CA ARG A 51 11.192 -7.138 -4.990 1.00 0.00 C ATOM 767 C ARG A 51 9.942 -6.665 -4.244 1.00 0.00 C ATOM 768 O ARG A 51 9.728 -7.037 -3.086 1.00 0.00 O ATOM 769 CB ARG A 51 12.355 -6.182 -4.735 1.00 0.00 C ATOM 770 CG ARG A 51 13.683 -6.690 -5.288 1.00 0.00 C ATOM 771 CD ARG A 51 14.572 -5.557 -5.798 1.00 0.00 C ATOM 772 NE ARG A 51 14.388 -5.312 -7.234 1.00 0.00 N ATOM 773 CZ ARG A 51 14.970 -4.320 -7.924 1.00 0.00 C ATOM 774 NH1 ARG A 51 15.806 -3.463 -7.340 1.00 0.00 N ATOM 775 NH2 ARG A 51 14.711 -4.189 -9.219 1.00 0.00 N ATOM 0 H ARG A 51 11.015 -6.358 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 51 11.443 -8.129 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.128 -5.215 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.454 -6.019 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.211 -7.240 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.491 -7.391 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.349 -4.645 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.616 -5.801 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 51 13.771 -5.944 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.016 -3.553 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.236 -2.717 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.075 -4.839 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.148 -3.438 -9.753 1.00 0.00 H new ATOM 789 N ILE A 52 9.121 -5.839 -4.911 1.00 0.00 N ATOM 790 CA ILE A 52 7.894 -5.316 -4.309 1.00 0.00 C ATOM 791 C ILE A 52 6.719 -6.270 -4.573 1.00 0.00 C ATOM 792 O ILE A 52 6.153 -6.284 -5.667 1.00 0.00 O ATOM 793 CB ILE A 52 7.562 -3.887 -4.835 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.763 -2.950 -4.585 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.291 -3.343 -4.173 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.539 -1.492 -4.967 1.00 0.00 C ATOM 0 H ILE A 52 9.288 -5.522 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 52 8.057 -5.244 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 52 7.376 -3.939 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.025 -2.996 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.620 -3.327 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.080 -2.345 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.453 -4.003 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.435 -3.294 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.440 -0.917 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.310 -1.426 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.706 -1.089 -4.391 1.00 0.00 H new ATOM 808 N SER A 53 6.364 -7.064 -3.553 1.00 0.00 N ATOM 809 CA SER A 53 5.265 -8.025 -3.649 1.00 0.00 C ATOM 810 C SER A 53 4.058 -7.569 -2.823 1.00 0.00 C ATOM 811 O SER A 53 4.172 -7.361 -1.613 1.00 0.00 O ATOM 812 CB SER A 53 5.735 -9.397 -3.160 1.00 0.00 C ATOM 813 OG SER A 53 4.721 -10.374 -3.321 1.00 0.00 O ATOM 0 H SER A 53 6.829 -7.056 -2.645 1.00 0.00 H new ATOM 0 HA SER A 53 4.959 -8.091 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.625 -9.698 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.019 -9.334 -2.110 1.00 0.00 H new ATOM 0 HG SER A 53 5.049 -11.241 -3.002 1.00 0.00 H new ATOM 819 N VAL A 54 2.903 -7.430 -3.484 1.00 0.00 N ATOM 820 CA VAL A 54 1.661 -7.015 -2.819 1.00 0.00 C ATOM 821 C VAL A 54 0.845 -8.256 -2.447 1.00 0.00 C ATOM 822 O VAL A 54 1.060 -9.326 -3.022 1.00 0.00 O ATOM 823 CB VAL A 54 0.799 -6.092 -3.726 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.368 -5.495 -2.948 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.638 -4.978 -4.348 1.00 0.00 C ATOM 0 H VAL A 54 2.802 -7.600 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 54 1.933 -6.453 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 54 0.402 -6.711 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.954 -4.854 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.999 -6.297 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.014 -4.906 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.004 -4.352 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.079 -4.370 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.431 -5.415 -4.955 1.00 0.00 H new ATOM 835 N VAL A 55 -0.083 -8.117 -1.489 1.00 0.00 N ATOM 836 CA VAL A 55 -0.911 -9.253 -1.066 1.00 0.00 C ATOM 837 C VAL A 55 -2.260 -8.805 -0.488 1.00 0.00 C ATOM 838 O VAL A 55 -2.357 -7.774 0.162 1.00 0.00 O ATOM 839 CB VAL A 55 -0.157 -10.139 -0.032 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.194 -9.346 1.221 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.958 -11.391 0.332 1.00 0.00 C ATOM 0 H VAL A 55 -0.277 -7.243 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.112 -9.843 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 55 0.771 -10.463 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.720 -9.991 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.833 -8.505 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.720 -8.973 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.398 -11.983 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.914 -11.098 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.133 -11.985 -0.565 1.00 0.00 H new ATOM 851 N TRP A 56 -3.287 -9.626 -0.709 1.00 0.00 N ATOM 852 CA TRP A 56 -4.631 -9.366 -0.196 1.00 0.00 C ATOM 853 C TRP A 56 -5.062 -10.566 0.637 1.00 0.00 C ATOM 854 O TRP A 56 -5.211 -11.669 0.104 1.00 0.00 O ATOM 855 CB TRP A 56 -5.589 -9.116 -1.355 1.00 0.00 C ATOM 856 CG TRP A 56 -5.196 -7.917 -2.160 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.710 -6.658 -2.059 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.186 -7.858 -3.177 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.089 -5.821 -2.949 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.153 -6.533 -3.651 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.312 -8.796 -3.734 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.279 -6.122 -4.654 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.445 -8.386 -4.730 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.435 -7.060 -5.181 1.00 0.00 C ATOM 0 H TRP A 56 -3.210 -10.489 -1.248 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.640 -8.475 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.613 -9.994 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.598 -8.977 -0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.493 -6.363 -1.376 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.291 -4.828 -3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.314 -9.821 -3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.268 -5.100 -5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.764 -9.101 -5.168 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.746 -6.772 -5.961 1.00 0.00 H new ATOM 875 N ASN A 57 -5.190 -10.371 1.957 1.00 0.00 N ATOM 876 CA ASN A 57 -5.524 -11.480 2.869 1.00 0.00 C ATOM 877 C ASN A 57 -6.940 -11.395 3.452 1.00 0.00 C ATOM 878 O ASN A 57 -7.816 -12.168 3.057 1.00 0.00 O ATOM 879 CB ASN A 57 -4.483 -11.553 3.998 1.00 0.00 C ATOM 880 CG ASN A 57 -3.056 -11.624 3.481 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.551 -12.703 3.170 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.395 -10.470 3.386 1.00 0.00 N ATOM 0 H ASN A 57 -5.069 -9.468 2.415 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.500 -12.393 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.589 -10.679 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.685 -12.428 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.434 -10.459 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.851 -9.598 3.654 1.00 0.00 H new ATOM 889 N ASP A 58 -7.159 -10.481 4.409 1.00 0.00 N ATOM 890 CA ASP A 58 -8.470 -10.335 5.064 1.00 0.00 C ATOM 891 C ASP A 58 -9.566 -9.971 4.057 1.00 0.00 C ATOM 892 O ASP A 58 -9.318 -9.928 2.852 1.00 0.00 O ATOM 893 CB ASP A 58 -8.409 -9.279 6.179 1.00 0.00 C ATOM 894 CG ASP A 58 -7.251 -9.496 7.138 1.00 0.00 C ATOM 895 OD1 ASP A 58 -6.909 -10.668 7.399 1.00 0.00 O ATOM 896 OD2 ASP A 58 -6.685 -8.495 7.624 1.00 0.00 O ATOM 0 H ASP A 58 -6.448 -9.833 4.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.721 -11.300 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.322 -8.289 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.345 -9.294 6.738 1.00 0.00 H new ATOM 901 N ASP A 59 -10.784 -9.715 4.564 1.00 0.00 N ATOM 902 CA ASP A 59 -11.933 -9.356 3.717 1.00 0.00 C ATOM 903 C ASP A 59 -11.612 -8.175 2.796 1.00 0.00 C ATOM 904 O ASP A 59 -12.064 -8.134 1.649 1.00 0.00 O ATOM 905 CB ASP A 59 -13.147 -9.016 4.586 1.00 0.00 C ATOM 906 CG ASP A 59 -13.839 -10.256 5.118 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.301 -11.076 4.296 1.00 0.00 O ATOM 908 OD2 ASP A 59 -13.920 -10.407 6.354 1.00 0.00 O ATOM 0 H ASP A 59 -10.998 -9.750 5.561 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.161 -10.220 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.830 -8.393 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.856 -8.429 4.002 1.00 0.00 H new ATOM 913 N ASP A 60 -10.826 -7.223 3.310 1.00 0.00 N ATOM 914 CA ASP A 60 -10.441 -6.046 2.533 1.00 0.00 C ATOM 915 C ASP A 60 -9.108 -5.443 3.007 1.00 0.00 C ATOM 916 O ASP A 60 -8.836 -4.270 2.740 1.00 0.00 O ATOM 917 CB ASP A 60 -11.563 -5.000 2.593 1.00 0.00 C ATOM 918 CG ASP A 60 -12.562 -5.158 1.460 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.208 -4.833 0.308 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.695 -5.610 1.727 1.00 0.00 O ATOM 0 H ASP A 60 -10.447 -7.246 4.257 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.291 -6.361 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.083 -5.084 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.128 -4.001 2.554 1.00 0.00 H new ATOM 925 N SER A 61 -8.267 -6.247 3.681 1.00 0.00 N ATOM 926 CA SER A 61 -6.957 -5.780 4.151 1.00 0.00 C ATOM 927 C SER A 61 -5.862 -6.323 3.244 1.00 0.00 C ATOM 928 O SER A 61 -5.923 -7.482 2.806 1.00 0.00 O ATOM 929 CB SER A 61 -6.708 -6.197 5.600 1.00 0.00 C ATOM 930 OG SER A 61 -5.535 -5.588 6.110 1.00 0.00 O ATOM 0 H SER A 61 -8.473 -7.219 3.910 1.00 0.00 H new ATOM 0 HA SER A 61 -6.946 -4.691 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.564 -5.917 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.614 -7.281 5.659 1.00 0.00 H new ATOM 0 HG SER A 61 -5.398 -5.869 7.039 1.00 0.00 H new ATOM 936 N SER A 62 -4.872 -5.477 2.939 1.00 0.00 N ATOM 937 CA SER A 62 -3.779 -5.860 2.053 1.00 0.00 C ATOM 938 C SER A 62 -2.441 -5.425 2.634 1.00 0.00 C ATOM 939 O SER A 62 -2.390 -4.943 3.763 1.00 0.00 O ATOM 940 CB SER A 62 -4.021 -5.232 0.678 1.00 0.00 C ATOM 941 OG SER A 62 -5.401 -5.258 0.348 1.00 0.00 O ATOM 0 H SER A 62 -4.810 -4.523 3.295 1.00 0.00 H new ATOM 0 HA SER A 62 -3.747 -6.945 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.661 -4.203 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.451 -5.772 -0.079 1.00 0.00 H new ATOM 0 HG SER A 62 -5.504 -5.369 -0.620 1.00 0.00 H new ATOM 947 N THR A 63 -1.364 -5.604 1.866 1.00 0.00 N ATOM 948 CA THR A 63 -0.033 -5.236 2.319 1.00 0.00 C ATOM 949 C THR A 63 0.898 -4.970 1.141 1.00 0.00 C ATOM 950 O THR A 63 0.808 -5.626 0.097 1.00 0.00 O ATOM 951 CB THR A 63 0.556 -6.334 3.209 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.453 -6.931 4.006 1.00 0.00 O ATOM 953 CG2 THR A 63 1.638 -5.830 4.140 1.00 0.00 C ATOM 0 H THR A 63 -1.394 -6.002 0.928 1.00 0.00 H new ATOM 0 HA THR A 63 -0.125 -4.318 2.899 1.00 0.00 H new ATOM 0 HB THR A 63 0.995 -7.058 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.056 -7.631 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.013 -6.657 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.455 -5.408 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.226 -5.062 4.794 1.00 0.00 H new ATOM 961 N LEU A 64 1.801 -4.007 1.333 1.00 0.00 N ATOM 962 CA LEU A 64 2.779 -3.621 0.329 1.00 0.00 C ATOM 963 C LEU A 64 4.171 -3.986 0.819 1.00 0.00 C ATOM 964 O LEU A 64 4.815 -3.192 1.510 1.00 0.00 O ATOM 965 CB LEU A 64 2.702 -2.102 0.082 1.00 0.00 C ATOM 966 CG LEU A 64 3.305 -1.531 -1.238 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.291 -0.401 -0.936 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.968 -2.605 -2.109 1.00 0.00 C ATOM 0 H LEU A 64 1.870 -3.472 2.199 1.00 0.00 H new ATOM 0 HA LEU A 64 2.568 -4.146 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.652 -1.813 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.199 -1.605 0.915 1.00 0.00 H new ATOM 0 HG LEU A 64 2.469 -1.134 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.701 -0.016 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.775 0.401 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.101 -0.782 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.368 -2.145 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.778 -3.076 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.230 -3.359 -2.382 1.00 0.00 H new ATOM 980 N THR A 65 4.622 -5.192 0.477 1.00 0.00 N ATOM 981 CA THR A 65 5.938 -5.667 0.898 1.00 0.00 C ATOM 982 C THR A 65 7.003 -5.237 -0.108 1.00 0.00 C ATOM 983 O THR A 65 6.788 -5.304 -1.317 1.00 0.00 O ATOM 984 CB THR A 65 5.946 -7.206 1.088 1.00 0.00 C ATOM 985 OG1 THR A 65 4.633 -7.741 1.013 1.00 0.00 O ATOM 986 CG2 THR A 65 6.529 -7.649 2.419 1.00 0.00 C ATOM 0 H THR A 65 4.096 -5.857 -0.090 1.00 0.00 H new ATOM 0 HA THR A 65 6.170 -5.216 1.863 1.00 0.00 H new ATOM 0 HB THR A 65 6.575 -7.579 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.348 -7.779 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.503 -8.737 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.561 -7.305 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.942 -7.223 3.233 1.00 0.00 H new ATOM 994 N ILE A 66 8.150 -4.795 0.407 1.00 0.00 N ATOM 995 CA ILE A 66 9.271 -4.354 -0.423 1.00 0.00 C ATOM 996 C ILE A 66 10.551 -4.969 0.147 1.00 0.00 C ATOM 997 O ILE A 66 11.203 -4.390 1.013 1.00 0.00 O ATOM 998 CB ILE A 66 9.351 -2.806 -0.482 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.996 -2.244 -0.960 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.500 -2.341 -1.388 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.909 -0.733 -0.999 1.00 0.00 C ATOM 0 H ILE A 66 8.328 -4.733 1.409 1.00 0.00 H new ATOM 0 HA ILE A 66 9.132 -4.690 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 66 9.561 -2.423 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.791 -2.631 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.211 -2.622 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.529 -1.252 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.445 -2.722 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.342 -2.719 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.920 -0.434 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.078 -0.333 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.666 -0.342 -1.679 1.00 0.00 H new ATOM 1013 N TYR A 67 10.846 -6.189 -0.314 1.00 0.00 N ATOM 1014 CA TYR A 67 11.992 -6.980 0.171 1.00 0.00 C ATOM 1015 C TYR A 67 13.341 -6.251 0.125 1.00 0.00 C ATOM 1016 O TYR A 67 13.946 -5.986 1.165 1.00 0.00 O ATOM 1017 CB TYR A 67 12.086 -8.301 -0.615 1.00 0.00 C ATOM 1018 CG TYR A 67 10.776 -9.074 -0.693 1.00 0.00 C ATOM 1019 CD1 TYR A 67 9.958 -9.222 0.424 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.352 -9.643 -1.890 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.766 -9.915 0.352 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.160 -10.338 -1.969 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.371 -10.471 -0.846 1.00 0.00 C ATOM 1024 OH TYR A 67 7.182 -11.165 -0.924 1.00 0.00 O ATOM 0 H TYR A 67 10.299 -6.660 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 67 11.794 -7.167 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.429 -8.085 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.842 -8.934 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.262 -8.786 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.965 -9.540 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.146 -10.021 1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.848 -10.775 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 67 7.053 -11.491 -1.839 1.00 0.00 H new ATOM 1034 N ASN A 68 13.825 -5.979 -1.080 1.00 0.00 N ATOM 1035 CA ASN A 68 15.126 -5.325 -1.280 1.00 0.00 C ATOM 1036 C ASN A 68 15.187 -3.937 -0.645 1.00 0.00 C ATOM 1037 O ASN A 68 15.977 -3.701 0.268 1.00 0.00 O ATOM 1038 CB ASN A 68 15.459 -5.244 -2.782 1.00 0.00 C ATOM 1039 CG ASN A 68 16.835 -4.652 -3.130 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.079 -4.315 -4.289 1.00 0.00 O ATOM 1041 ND2 ASN A 68 17.752 -4.527 -2.163 1.00 0.00 N ATOM 0 H ASN A 68 13.335 -6.201 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 68 15.874 -5.938 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.399 -6.248 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.692 -4.646 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.673 -4.147 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.530 -4.812 -1.209 1.00 0.00 H new ATOM 1048 N ALA A 69 14.355 -3.024 -1.140 1.00 0.00 N ATOM 1049 CA ALA A 69 14.302 -1.637 -0.644 1.00 0.00 C ATOM 1050 C ALA A 69 15.520 -0.842 -1.113 1.00 0.00 C ATOM 1051 O ALA A 69 16.658 -1.202 -0.805 1.00 0.00 O ATOM 1052 CB ALA A 69 14.187 -1.579 0.885 1.00 0.00 C ATOM 0 H ALA A 69 13.697 -3.217 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 69 13.404 -1.183 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.151 -0.539 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.277 -2.089 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.051 -2.068 1.334 1.00 0.00 H new ATOM 1058 N ASN A 70 15.270 0.244 -1.854 1.00 0.00 N ATOM 1059 CA ASN A 70 16.339 1.104 -2.366 1.00 0.00 C ATOM 1060 C ASN A 70 15.917 2.571 -2.303 1.00 0.00 C ATOM 1061 O ASN A 70 14.726 2.888 -2.194 1.00 0.00 O ATOM 1062 CB ASN A 70 16.698 0.739 -3.815 1.00 0.00 C ATOM 1063 CG ASN A 70 16.849 -0.759 -4.038 1.00 0.00 C ATOM 1064 OD1 ASN A 70 17.960 -1.291 -4.019 1.00 0.00 O ATOM 1065 ND2 ASN A 70 15.729 -1.448 -4.251 1.00 0.00 N ATOM 0 H ASN A 70 14.331 0.548 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 70 17.217 0.950 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.925 1.123 -4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.629 1.236 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.772 -2.455 -4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.829 -0.968 -4.259 1.00 0.00 H new ATOM 1072 N ILE A 71 16.895 3.478 -2.388 1.00 0.00 N ATOM 1073 CA ILE A 71 16.614 4.918 -2.350 1.00 0.00 C ATOM 1074 C ILE A 71 15.592 5.342 -3.419 1.00 0.00 C ATOM 1075 O ILE A 71 14.898 6.348 -3.251 1.00 0.00 O ATOM 1076 CB ILE A 71 17.902 5.752 -2.514 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.653 5.350 -3.788 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.795 5.588 -1.293 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.518 6.456 -4.352 1.00 0.00 C ATOM 0 H ILE A 71 17.883 3.243 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 71 16.184 5.114 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 71 17.623 6.802 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.279 4.484 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.931 5.042 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.700 6.182 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.262 5.927 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.063 4.538 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.020 6.102 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 71 18.895 7.316 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.263 6.748 -3.612 1.00 0.00 H new ATOM 1091 N ASP A 72 15.491 4.557 -4.502 1.00 0.00 N ATOM 1092 CA ASP A 72 14.540 4.840 -5.575 1.00 0.00 C ATOM 1093 C ASP A 72 13.117 4.523 -5.115 1.00 0.00 C ATOM 1094 O ASP A 72 12.186 5.278 -5.403 1.00 0.00 O ATOM 1095 CB ASP A 72 14.885 4.031 -6.829 1.00 0.00 C ATOM 1096 CG ASP A 72 16.124 4.550 -7.533 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.171 5.762 -7.838 1.00 0.00 O ATOM 1098 OD2 ASP A 72 17.048 3.747 -7.780 1.00 0.00 O ATOM 0 H ASP A 72 16.058 3.723 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 72 14.603 5.900 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.038 2.988 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.041 4.058 -7.518 1.00 0.00 H new ATOM 1103 N ASP A 73 12.960 3.411 -4.381 1.00 0.00 N ATOM 1104 CA ASP A 73 11.654 3.001 -3.863 1.00 0.00 C ATOM 1105 C ASP A 73 11.147 3.997 -2.819 1.00 0.00 C ATOM 1106 O ASP A 73 9.941 4.224 -2.712 1.00 0.00 O ATOM 1107 CB ASP A 73 11.728 1.597 -3.250 1.00 0.00 C ATOM 1108 CG ASP A 73 11.705 0.502 -4.299 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.018 0.677 -5.328 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.372 -0.533 -4.089 1.00 0.00 O ATOM 0 H ASP A 73 13.724 2.782 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 73 10.955 2.983 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.640 1.510 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.890 1.458 -2.566 1.00 0.00 H new ATOM 1115 N ALA A 74 12.076 4.602 -2.051 1.00 0.00 N ATOM 1116 CA ALA A 74 11.711 5.588 -1.014 1.00 0.00 C ATOM 1117 C ALA A 74 10.778 6.686 -1.554 1.00 0.00 C ATOM 1118 O ALA A 74 11.174 7.476 -2.415 1.00 0.00 O ATOM 1119 CB ALA A 74 12.963 6.219 -0.421 1.00 0.00 C ATOM 0 H ALA A 74 13.078 4.427 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 74 11.169 5.049 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.679 6.944 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.583 5.444 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.525 6.722 -1.208 1.00 0.00 H new ATOM 1125 N GLY A 75 9.543 6.716 -1.038 1.00 0.00 N ATOM 1126 CA GLY A 75 8.564 7.703 -1.466 1.00 0.00 C ATOM 1127 C GLY A 75 7.193 7.442 -0.868 1.00 0.00 C ATOM 1128 O GLY A 75 6.983 6.404 -0.237 1.00 0.00 O ATOM 0 H GLY A 75 9.206 6.067 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.902 8.698 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.493 7.695 -2.554 1.00 0.00 H new ATOM 1132 N ILE A 76 6.265 8.386 -1.054 1.00 0.00 N ATOM 1133 CA ILE A 76 4.913 8.254 -0.511 1.00 0.00 C ATOM 1134 C ILE A 76 4.060 7.286 -1.342 1.00 0.00 C ATOM 1135 O ILE A 76 3.444 7.691 -2.329 1.00 0.00 O ATOM 1136 CB ILE A 76 4.195 9.635 -0.421 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.071 10.639 0.353 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.810 9.495 0.230 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.469 12.022 0.499 1.00 0.00 C ATOM 0 H ILE A 76 6.427 9.248 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 76 5.021 7.848 0.495 1.00 0.00 H new ATOM 0 HB ILE A 76 4.046 10.014 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.269 10.237 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.032 10.727 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.331 10.473 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.195 8.820 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.920 9.093 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.155 12.660 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.297 12.450 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.522 11.952 1.034 1.00 0.00 H new ATOM 1151 N TYR A 77 3.994 6.016 -0.908 1.00 0.00 N ATOM 1152 CA TYR A 77 3.172 5.017 -1.595 1.00 0.00 C ATOM 1153 C TYR A 77 1.693 5.333 -1.367 1.00 0.00 C ATOM 1154 O TYR A 77 1.362 6.310 -0.682 1.00 0.00 O ATOM 1155 CB TYR A 77 3.489 3.596 -1.113 1.00 0.00 C ATOM 1156 CG TYR A 77 4.842 3.076 -1.546 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.989 3.536 -0.930 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.971 2.114 -2.549 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.236 3.065 -1.290 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.217 1.631 -2.916 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.345 2.110 -2.282 1.00 0.00 C ATOM 1162 OH TYR A 77 8.586 1.635 -2.640 1.00 0.00 O ATOM 0 H TYR A 77 4.496 5.664 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 77 3.399 5.060 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.437 3.575 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.718 2.920 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.909 4.279 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.088 1.741 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.121 3.441 -0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.304 0.885 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 77 9.174 2.388 -2.860 1.00 0.00 H new ATOM 1172 N LYS A 78 0.808 4.519 -1.950 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.633 4.735 -1.829 1.00 0.00 C ATOM 1174 C LYS A 78 -1.388 3.417 -1.663 1.00 0.00 C ATOM 1175 O LYS A 78 -0.927 2.371 -2.104 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.148 5.470 -3.078 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.066 6.643 -2.768 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.493 7.371 -4.034 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.319 8.075 -4.702 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.743 9.319 -5.401 1.00 0.00 N ATOM 0 H LYS A 78 1.066 3.706 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.810 5.338 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.295 5.831 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.682 4.761 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.949 6.285 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.556 7.339 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.935 6.660 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.265 8.101 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.567 8.319 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.849 7.399 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.916 9.768 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.442 9.084 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.168 9.975 -4.715 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.579 3.503 -1.069 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.446 2.343 -0.873 1.00 0.00 C ATOM 1196 C CYS A 79 -4.902 2.797 -1.073 1.00 0.00 C ATOM 1197 O CYS A 79 -5.479 3.485 -0.227 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.118 1.655 0.495 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.349 1.716 1.852 1.00 0.00 S ATOM 0 H CYS A 79 -2.968 4.376 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.272 1.558 -1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.908 0.605 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.195 2.097 0.870 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.460 2.475 -2.253 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.815 2.915 -2.621 1.00 0.00 C ATOM 1206 C VAL A 80 -7.857 1.799 -2.530 1.00 0.00 C ATOM 1207 O VAL A 80 -7.615 0.665 -2.937 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.860 3.511 -4.059 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.171 4.253 -4.303 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.679 4.446 -4.314 1.00 0.00 C ATOM 0 H VAL A 80 -4.994 1.913 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.066 3.684 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.793 2.675 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.176 4.659 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.007 3.563 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.268 5.067 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.742 4.844 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.705 5.268 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.746 3.894 -4.198 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.041 2.163 -2.027 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.169 1.248 -1.909 1.00 0.00 C ATOM 1222 C VAL A 81 -11.330 1.861 -2.699 1.00 0.00 C ATOM 1223 O VAL A 81 -11.527 3.067 -2.633 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.523 1.016 -0.403 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.995 0.664 -0.164 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.622 -0.069 0.173 1.00 0.00 C ATOM 0 H VAL A 81 -9.239 3.105 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.934 0.265 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.352 1.963 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.166 0.518 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.626 1.476 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.242 -0.252 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.870 -0.229 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.770 -0.996 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.580 0.241 0.090 1.00 0.00 H new ATOM 1236 N THR A 82 -12.076 1.049 -3.463 1.00 0.00 N ATOM 1237 CA THR A 82 -13.191 1.581 -4.267 1.00 0.00 C ATOM 1238 C THR A 82 -14.504 0.840 -4.037 1.00 0.00 C ATOM 1239 O THR A 82 -14.519 -0.350 -3.724 1.00 0.00 O ATOM 1240 CB THR A 82 -12.837 1.553 -5.751 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.493 1.947 -5.954 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.714 2.463 -6.585 1.00 0.00 C ATOM 0 H THR A 82 -11.934 0.042 -3.542 1.00 0.00 H new ATOM 0 HA THR A 82 -13.343 2.609 -3.939 1.00 0.00 H new ATOM 0 HB THR A 82 -12.996 0.523 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.286 1.921 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.414 2.399 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.755 2.155 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.606 3.491 -6.238 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.616 1.570 -4.213 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.955 1.010 -4.044 1.00 0.00 C ATOM 1252 C ALA A 83 -17.543 0.607 -5.398 1.00 0.00 C ATOM 1253 O ALA A 83 -16.852 0.663 -6.418 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.857 2.018 -3.345 1.00 0.00 C ATOM 0 H ALA A 83 -15.608 2.556 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.886 0.116 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.853 1.592 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.443 2.259 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.922 2.926 -3.945 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.819 0.200 -5.403 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.492 -0.215 -6.635 1.00 0.00 C ATOM 1262 C GLU A 84 -19.810 0.983 -7.531 1.00 0.00 C ATOM 1263 O GLU A 84 -19.463 0.987 -8.715 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.783 -0.973 -6.315 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.360 -1.719 -7.507 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.698 -2.362 -7.201 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.576 -1.668 -6.650 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -22.867 -3.560 -7.514 1.00 0.00 O ATOM 0 H GLU A 84 -19.403 0.150 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.810 -0.875 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.588 -1.683 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.526 -0.268 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.476 -1.028 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.656 -2.488 -7.825 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.483 1.992 -6.965 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.862 3.191 -7.719 1.00 0.00 C ATOM 1277 C ASP A 85 -19.637 3.993 -8.165 1.00 0.00 C ATOM 1278 O ASP A 85 -19.635 4.569 -9.257 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.798 4.081 -6.893 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.209 4.466 -5.550 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.299 3.655 -4.605 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.661 5.583 -5.442 1.00 0.00 O ATOM 0 H ASP A 85 -20.776 2.001 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.388 2.855 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.024 4.985 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.742 3.559 -6.735 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.603 4.030 -7.314 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.384 4.768 -7.637 1.00 0.00 C ATOM 1289 C GLY A 86 -16.702 5.384 -6.421 1.00 0.00 C ATOM 1290 O GLY A 86 -15.517 5.716 -6.484 1.00 0.00 O ATOM 0 H GLY A 86 -18.589 3.562 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.684 4.097 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.626 5.559 -8.347 1.00 0.00 H new ATOM 1294 N THR A 87 -17.442 5.540 -5.310 1.00 0.00 N ATOM 1295 CA THR A 87 -16.892 6.124 -4.075 1.00 0.00 C ATOM 1296 C THR A 87 -15.680 5.327 -3.576 1.00 0.00 C ATOM 1297 O THR A 87 -15.828 4.206 -3.092 1.00 0.00 O ATOM 1298 CB THR A 87 -17.975 6.174 -2.986 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.100 6.906 -3.434 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.507 6.803 -1.688 1.00 0.00 C ATOM 0 H THR A 87 -18.423 5.270 -5.242 1.00 0.00 H new ATOM 0 HA THR A 87 -16.561 7.138 -4.299 1.00 0.00 H new ATOM 0 HB THR A 87 -18.228 5.132 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.585 6.382 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.325 6.803 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.671 6.230 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.188 7.828 -1.875 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.488 5.922 -3.696 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.244 5.274 -3.262 1.00 0.00 C ATOM 1310 C GLN A 88 -12.533 6.085 -2.176 1.00 0.00 C ATOM 1311 O GLN A 88 -12.368 7.299 -2.302 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.289 5.059 -4.449 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.193 6.234 -5.412 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.889 6.243 -6.194 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.186 7.252 -6.233 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.558 5.115 -6.824 1.00 0.00 N ATOM 0 H GLN A 88 -14.358 6.853 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.521 4.306 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.293 4.843 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.614 4.178 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -13.030 6.197 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.284 7.165 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.169 4.300 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.694 5.067 -7.364 1.00 0.00 H new ATOM 1325 N SER A 89 -12.087 5.388 -1.125 1.00 0.00 N ATOM 1326 CA SER A 89 -11.356 6.006 -0.019 1.00 0.00 C ATOM 1327 C SER A 89 -9.916 5.520 -0.073 1.00 0.00 C ATOM 1328 O SER A 89 -9.674 4.317 0.014 1.00 0.00 O ATOM 1329 CB SER A 89 -11.996 5.624 1.317 1.00 0.00 C ATOM 1330 OG SER A 89 -11.264 6.157 2.406 1.00 0.00 O ATOM 0 H SER A 89 -12.223 4.383 -1.019 1.00 0.00 H new ATOM 0 HA SER A 89 -11.388 7.092 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.022 5.991 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.043 4.538 1.404 1.00 0.00 H new ATOM 0 HG SER A 89 -11.776 6.038 3.233 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.964 6.440 -0.270 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.550 6.060 -0.395 1.00 0.00 C ATOM 1338 C GLU A 90 -6.711 6.393 0.844 1.00 0.00 C ATOM 1339 O GLU A 90 -7.220 6.899 1.845 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.944 6.714 -1.652 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.806 8.229 -1.568 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.336 8.847 -2.870 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.115 8.837 -3.847 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.189 9.339 -2.916 1.00 0.00 O ATOM 0 H GLU A 90 -9.143 7.441 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.524 4.974 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.960 6.281 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.566 6.465 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.767 8.662 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.102 8.482 -0.775 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.411 6.084 0.745 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.459 6.317 1.820 1.00 0.00 C ATOM 1353 C ALA A 91 -3.067 6.574 1.247 1.00 0.00 C ATOM 1354 O ALA A 91 -2.848 6.406 0.044 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.417 5.112 2.749 1.00 0.00 C ATOM 0 H ALA A 91 -4.997 5.665 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.778 7.194 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.702 5.295 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.406 4.947 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.113 4.229 2.186 1.00 0.00 H new ATOM 1361 N THR A 92 -2.127 6.958 2.113 1.00 0.00 N ATOM 1362 CA THR A 92 -0.750 7.213 1.695 1.00 0.00 C ATOM 1363 C THR A 92 0.216 6.908 2.831 1.00 0.00 C ATOM 1364 O THR A 92 -0.149 6.995 4.007 1.00 0.00 O ATOM 1365 CB THR A 92 -0.564 8.666 1.234 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.475 9.529 1.890 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.744 8.850 -0.255 1.00 0.00 C ATOM 0 H THR A 92 -2.296 7.099 3.109 1.00 0.00 H new ATOM 0 HA THR A 92 -0.535 6.556 0.852 1.00 0.00 H new ATOM 0 HB THR A 92 0.465 8.916 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.335 10.448 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.599 9.899 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.013 8.241 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.750 8.542 -0.541 1.00 0.00 H new ATOM 1375 N VAL A 93 1.453 6.560 2.470 1.00 0.00 N ATOM 1376 CA VAL A 93 2.484 6.253 3.458 1.00 0.00 C ATOM 1377 C VAL A 93 3.839 6.802 3.015 1.00 0.00 C ATOM 1378 O VAL A 93 4.420 6.308 2.052 1.00 0.00 O ATOM 1379 CB VAL A 93 2.583 4.724 3.712 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.849 3.972 2.409 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.638 4.392 4.783 1.00 0.00 C ATOM 0 H VAL A 93 1.763 6.484 1.501 1.00 0.00 H new ATOM 0 HA VAL A 93 2.199 6.736 4.393 1.00 0.00 H new ATOM 0 HB VAL A 93 1.621 4.389 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.914 2.903 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.035 4.159 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.788 4.317 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.678 3.313 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.614 4.749 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.370 4.879 5.721 1.00 0.00 H new ATOM 1391 N ASN A 94 4.335 7.813 3.734 1.00 0.00 N ATOM 1392 CA ASN A 94 5.628 8.412 3.421 1.00 0.00 C ATOM 1393 C ASN A 94 6.758 7.444 3.768 1.00 0.00 C ATOM 1394 O ASN A 94 7.273 7.449 4.890 1.00 0.00 O ATOM 1395 CB ASN A 94 5.801 9.735 4.171 1.00 0.00 C ATOM 1396 CG ASN A 94 6.751 10.684 3.463 1.00 0.00 C ATOM 1397 OD1 ASN A 94 6.322 11.653 2.837 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.052 10.413 3.554 1.00 0.00 N ATOM 0 H ASN A 94 3.859 8.230 4.534 1.00 0.00 H new ATOM 0 HA ASN A 94 5.667 8.618 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.829 10.215 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.175 9.534 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.732 11.019 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.368 9.600 4.083 1.00 0.00 H new ATOM 1405 N VAL A 95 7.128 6.606 2.795 1.00 0.00 N ATOM 1406 CA VAL A 95 8.189 5.621 2.985 1.00 0.00 C ATOM 1407 C VAL A 95 9.551 6.231 2.666 1.00 0.00 C ATOM 1408 O VAL A 95 9.700 6.957 1.679 1.00 0.00 O ATOM 1409 CB VAL A 95 7.978 4.357 2.108 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.981 3.272 2.478 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.556 3.823 2.236 1.00 0.00 C ATOM 0 H VAL A 95 6.705 6.593 1.867 1.00 0.00 H new ATOM 0 HA VAL A 95 8.154 5.320 4.032 1.00 0.00 H new ATOM 0 HB VAL A 95 8.139 4.647 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.816 2.395 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.994 3.644 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.852 2.999 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.442 2.938 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.358 3.560 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.850 4.589 1.915 1.00 0.00 H new ATOM 1421 N LYS A 96 10.544 5.916 3.505 1.00 0.00 N ATOM 1422 CA LYS A 96 11.905 6.412 3.328 1.00 0.00 C ATOM 1423 C LYS A 96 12.890 5.253 3.227 1.00 0.00 C ATOM 1424 O LYS A 96 12.628 4.158 3.732 1.00 0.00 O ATOM 1425 CB LYS A 96 12.300 7.333 4.500 1.00 0.00 C ATOM 1426 CG LYS A 96 12.908 8.658 4.059 1.00 0.00 C ATOM 1427 CD LYS A 96 13.711 9.306 5.178 1.00 0.00 C ATOM 1428 CE LYS A 96 12.823 10.137 6.090 1.00 0.00 C ATOM 1429 NZ LYS A 96 13.560 10.623 7.290 1.00 0.00 N ATOM 0 H LYS A 96 10.424 5.314 4.319 1.00 0.00 H new ATOM 0 HA LYS A 96 11.939 6.984 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.417 7.533 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.013 6.810 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.553 8.494 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.115 9.335 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.213 8.534 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.489 9.939 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.430 10.989 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.968 9.540 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.991 11.344 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.737 9.827 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.467 11.038 6.996 1.00 0.00 H new ATOM 1443 N ILE A 97 14.038 5.522 2.607 1.00 0.00 N ATOM 1444 CA ILE A 97 15.092 4.525 2.468 1.00 0.00 C ATOM 1445 C ILE A 97 16.456 5.207 2.505 1.00 0.00 C ATOM 1446 O ILE A 97 16.652 6.260 1.895 1.00 0.00 O ATOM 1447 CB ILE A 97 14.957 3.653 1.192 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.500 3.135 1.059 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.969 2.499 1.254 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.275 2.056 0.009 1.00 0.00 C ATOM 0 H ILE A 97 14.260 6.427 2.192 1.00 0.00 H new ATOM 0 HA ILE A 97 14.991 3.842 3.312 1.00 0.00 H new ATOM 0 HB ILE A 97 15.177 4.249 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.183 2.746 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.853 3.981 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.876 1.885 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.979 2.904 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.771 1.888 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.224 1.769 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.553 2.440 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.887 1.186 0.245 1.00 0.00 H new ATOM 1462 N PHE A 98 17.387 4.609 3.253 1.00 0.00 N ATOM 1463 CA PHE A 98 18.737 5.160 3.413 1.00 0.00 C ATOM 1464 C PHE A 98 19.786 4.065 3.208 1.00 0.00 C ATOM 1465 O PHE A 98 19.659 2.964 3.748 1.00 0.00 O ATOM 1466 CB PHE A 98 18.907 5.836 4.804 1.00 0.00 C ATOM 1467 CG PHE A 98 17.891 5.414 5.843 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.603 5.930 5.818 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.219 4.491 6.823 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.665 5.534 6.746 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.283 4.094 7.758 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.004 4.617 7.717 1.00 0.00 C ATOM 0 H PHE A 98 17.230 3.738 3.760 1.00 0.00 H new ATOM 0 HA PHE A 98 18.884 5.927 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.905 5.613 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.848 6.917 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.332 6.651 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.216 4.078 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.665 5.942 6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.550 3.376 8.520 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.270 4.307 8.446 1.00 0.00 H new ATOM 1482 N GLN A 99 20.814 4.381 2.412 1.00 0.00 N ATOM 1483 CA GLN A 99 21.891 3.435 2.116 1.00 0.00 C ATOM 1484 C GLN A 99 23.068 3.635 3.064 1.00 0.00 C ATOM 1485 O GLN A 99 23.289 4.786 3.498 1.00 0.00 O ATOM 1486 CB GLN A 99 22.355 3.601 0.665 1.00 0.00 C ATOM 1487 CG GLN A 99 22.756 5.024 0.312 1.00 0.00 C ATOM 1488 CD GLN A 99 23.536 5.107 -0.988 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.633 5.663 -1.027 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.976 4.556 -2.064 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.761 2.641 3.367 1.00 0.00 O ATOM 0 H GLN A 99 20.921 5.289 1.960 1.00 0.00 H new ATOM 0 HA GLN A 99 21.505 2.425 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.202 2.939 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.554 3.282 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 99 21.861 5.641 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.359 5.438 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 99 22.065 4.104 -1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.459 4.586 -2.962 1.00 0.00 H new