USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 767 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 64 GLN : amide:sc= 0.595 K(o=-0.87,f=-11!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -146:sc= -1.47! (180deg=-4.26!) USER MOD Set 2.1: A 9 THR OG1 : rot -77:sc= 1.9 USER MOD Set 2.2: A 46 HIS : no HE2:sc= 0.818 K(o=2.7,f=-4.8!) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0454 (180deg=-0.321) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.6) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00892 K(o=-0.0089,f=-0.92) USER MOD Single : A 44 GLN : amide:sc= 0.664 K(o=0.66,f=-0.63) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.12) USER MOD Single : A 48 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.247) USER MOD Single : A 67 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.84) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.345 F(o=-0.96,f=-0.35) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc=-3.43e-05 (180deg=-0.128) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.787) USER MOD Single : A 86 SER OG : rot 65:sc= 0.903 USER MOD Single : A 89 GLN : amide:sc= 1.26 K(o=1.3,f=-0.46) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.814 F(o=-2.1!,f=-0.81) USER MOD Single : A 99 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -3.859 -5.569 -8.639 1.00 0.00 N ATOM 65 CA LYS A 5 -4.084 -4.391 -9.447 1.00 0.00 C ATOM 66 C LYS A 5 -4.241 -4.779 -10.905 1.00 0.00 C ATOM 67 O LYS A 5 -5.184 -4.351 -11.567 1.00 0.00 O ATOM 68 CB LYS A 5 -2.944 -3.398 -9.267 1.00 0.00 C ATOM 69 CG LYS A 5 -2.769 -2.951 -7.830 1.00 0.00 C ATOM 70 CD LYS A 5 -1.660 -1.932 -7.692 1.00 0.00 C ATOM 71 CE LYS A 5 -1.498 -1.493 -6.248 1.00 0.00 C ATOM 72 NZ LYS A 5 -2.739 -0.885 -5.709 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.006 -3.910 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.016 -3.851 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.128 -2.525 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.703 -2.524 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.548 -3.816 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.724 -2.358 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.878 -1.066 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.220 -2.352 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.682 -0.774 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.522 -0.376 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.131 -0.220 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.435 -1.632 -5.514 1.00 0.00 H new ATOM 86 N LEU A 6 -3.297 -5.578 -11.416 1.00 0.00 N ATOM 87 CA LEU A 6 -3.397 -6.119 -12.771 1.00 0.00 C ATOM 88 C LEU A 6 -4.757 -6.760 -13.023 1.00 0.00 C ATOM 89 O LEU A 6 -5.316 -6.609 -14.104 1.00 0.00 O ATOM 90 CB LEU A 6 -2.292 -7.156 -13.016 1.00 0.00 C ATOM 91 CG LEU A 6 -0.854 -6.631 -12.996 1.00 0.00 C ATOM 92 CD1 LEU A 6 0.133 -7.784 -13.094 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.627 -5.647 -14.131 1.00 0.00 C ATOM 0 H LEU A 6 -2.458 -5.862 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.278 -5.285 -13.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.382 -7.937 -12.261 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.472 -7.626 -13.983 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.693 -6.112 -12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.151 -7.394 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.010 -8.458 -12.250 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.033 -8.327 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.401 -5.286 -14.099 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.808 -6.143 -15.084 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.311 -4.805 -14.025 1.00 0.00 H new ATOM 105 N ARG A 7 -5.295 -7.445 -12.019 1.00 0.00 N ATOM 106 CA ARG A 7 -6.594 -8.097 -12.155 1.00 0.00 C ATOM 107 C ARG A 7 -7.722 -7.074 -12.224 1.00 0.00 C ATOM 108 O ARG A 7 -8.596 -7.167 -13.080 1.00 0.00 O ATOM 109 CB ARG A 7 -6.834 -9.093 -11.013 1.00 0.00 C ATOM 110 CG ARG A 7 -5.928 -10.317 -11.065 1.00 0.00 C ATOM 111 CD ARG A 7 -6.167 -11.240 -9.886 1.00 0.00 C ATOM 112 NE ARG A 7 -5.313 -12.434 -9.933 1.00 0.00 N ATOM 113 CZ ARG A 7 -5.634 -13.610 -9.381 1.00 0.00 C ATOM 114 NH1 ARG A 7 -6.775 -13.743 -8.714 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -4.808 -14.647 -9.489 1.00 0.00 N ATOM 0 H ARG A 7 -4.855 -7.563 -11.106 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.586 -8.652 -13.093 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.686 -8.583 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.873 -9.420 -11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.102 -10.860 -11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.886 -9.999 -11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.980 -10.698 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.214 -11.544 -9.872 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.418 -12.362 -10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.408 -12.948 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.019 -14.640 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.927 -14.547 -9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.055 -15.542 -9.067 1.00 0.00 H new ATOM 129 N GLN A 8 -7.671 -6.077 -11.352 1.00 0.00 N ATOM 130 CA GLN A 8 -8.706 -5.037 -11.302 1.00 0.00 C ATOM 131 C GLN A 8 -8.686 -4.184 -12.571 1.00 0.00 C ATOM 132 O GLN A 8 -9.729 -3.710 -13.032 1.00 0.00 O ATOM 133 CB GLN A 8 -8.503 -4.143 -10.073 1.00 0.00 C ATOM 134 CG GLN A 8 -8.491 -4.903 -8.754 1.00 0.00 C ATOM 135 CD GLN A 8 -8.172 -4.021 -7.553 1.00 0.00 C ATOM 136 OE1 GLN A 8 -7.389 -2.977 -7.766 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -8.623 -4.287 -6.437 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.925 -5.960 -10.666 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.676 -5.530 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.562 -3.604 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.296 -3.396 -10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.464 -5.372 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.756 -5.706 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.224 -5.101 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.395 -3.693 -5.640 1.00 0.00 H new ATOM 146 N THR A 9 -7.504 -4.009 -13.143 1.00 0.00 N ATOM 147 CA THR A 9 -7.351 -3.212 -14.348 1.00 0.00 C ATOM 148 C THR A 9 -7.558 -4.075 -15.582 1.00 0.00 C ATOM 149 O THR A 9 -7.829 -3.574 -16.672 1.00 0.00 O ATOM 150 CB THR A 9 -5.957 -2.557 -14.410 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.942 -3.558 -14.220 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.818 -1.490 -13.338 1.00 0.00 C ATOM 0 H THR A 9 -6.635 -4.410 -12.790 1.00 0.00 H new ATOM 0 HA THR A 9 -8.105 -2.425 -14.322 1.00 0.00 H new ATOM 0 HB THR A 9 -5.838 -2.091 -15.388 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.885 -3.790 -13.270 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.827 -1.040 -13.399 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.576 -0.721 -13.490 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.951 -1.942 -12.355 1.00 0.00 H new ATOM 160 N GLY A 10 -7.439 -5.375 -15.399 1.00 0.00 N ATOM 161 CA GLY A 10 -7.637 -6.291 -16.486 1.00 0.00 C ATOM 162 C GLY A 10 -9.098 -6.533 -16.693 1.00 0.00 C ATOM 163 O GLY A 10 -9.578 -6.553 -17.818 1.00 0.00 O ATOM 0 H GLY A 10 -7.207 -5.812 -14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.194 -5.888 -17.397 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.131 -7.233 -16.275 1.00 0.00 H new ATOM 167 N ASP A 11 -9.808 -6.703 -15.589 1.00 0.00 N ATOM 168 CA ASP A 11 -11.250 -6.893 -15.605 1.00 0.00 C ATOM 169 C ASP A 11 -11.939 -5.743 -16.308 1.00 0.00 C ATOM 170 O ASP A 11 -12.785 -5.952 -17.176 1.00 0.00 O ATOM 171 CB ASP A 11 -11.787 -7.018 -14.180 1.00 0.00 C ATOM 172 CG ASP A 11 -11.585 -8.393 -13.597 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.740 -9.388 -14.339 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.297 -8.489 -12.389 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.400 -6.713 -14.654 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.460 -7.813 -16.150 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.293 -6.283 -13.545 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.851 -6.779 -14.175 1.00 0.00 H new ATOM 179 N GLU A 12 -11.561 -4.527 -15.943 1.00 0.00 N ATOM 180 CA GLU A 12 -12.155 -3.348 -16.541 1.00 0.00 C ATOM 181 C GLU A 12 -11.819 -3.262 -18.034 1.00 0.00 C ATOM 182 O GLU A 12 -12.676 -2.910 -18.848 1.00 0.00 O ATOM 183 CB GLU A 12 -11.742 -2.076 -15.792 1.00 0.00 C ATOM 184 CG GLU A 12 -10.286 -1.687 -15.920 1.00 0.00 C ATOM 185 CD GLU A 12 -9.965 -0.460 -15.101 1.00 0.00 C ATOM 186 OE1 GLU A 12 -8.886 -0.413 -14.483 1.00 0.00 O ATOM 187 OE2 GLU A 12 -10.813 0.458 -15.045 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.849 -4.335 -15.239 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.238 -3.435 -16.453 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.354 -1.249 -16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.973 -2.207 -14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.657 -2.516 -15.596 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.050 -1.498 -16.967 1.00 0.00 H new ATOM 194 N LEU A 13 -10.576 -3.595 -18.382 1.00 0.00 N ATOM 195 CA LEU A 13 -10.138 -3.629 -19.776 1.00 0.00 C ATOM 196 C LEU A 13 -10.963 -4.651 -20.562 1.00 0.00 C ATOM 197 O LEU A 13 -11.452 -4.358 -21.651 1.00 0.00 O ATOM 198 CB LEU A 13 -8.622 -3.970 -19.831 1.00 0.00 C ATOM 199 CG LEU A 13 -7.928 -3.977 -21.216 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.238 -5.248 -21.996 1.00 0.00 C ATOM 201 CD2 LEU A 13 -8.316 -2.749 -22.021 1.00 0.00 C ATOM 0 H LEU A 13 -9.850 -3.847 -17.711 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.292 -2.652 -20.234 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.096 -3.256 -19.197 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.485 -4.954 -19.384 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.853 -3.952 -21.040 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.733 -5.215 -22.961 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.889 -6.114 -21.434 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.314 -5.326 -22.152 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.816 -2.776 -22.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.396 -2.738 -22.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.015 -1.851 -21.482 1.00 0.00 H new ATOM 213 N VAL A 14 -11.130 -5.834 -19.993 1.00 0.00 N ATOM 214 CA VAL A 14 -11.906 -6.889 -20.632 1.00 0.00 C ATOM 215 C VAL A 14 -13.362 -6.463 -20.781 1.00 0.00 C ATOM 216 O VAL A 14 -13.973 -6.667 -21.823 1.00 0.00 O ATOM 217 CB VAL A 14 -11.819 -8.208 -19.833 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.748 -9.263 -20.418 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.384 -8.711 -19.816 1.00 0.00 C ATOM 0 H VAL A 14 -10.738 -6.090 -19.087 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.483 -7.061 -21.622 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.138 -8.013 -18.809 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.667 -10.182 -19.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.776 -8.902 -20.384 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.467 -9.462 -21.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.331 -9.641 -19.251 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.048 -8.888 -20.838 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.742 -7.965 -19.347 1.00 0.00 H new ATOM 229 N GLN A 15 -13.898 -5.861 -19.734 1.00 0.00 N ATOM 230 CA GLN A 15 -15.252 -5.348 -19.744 1.00 0.00 C ATOM 231 C GLN A 15 -15.441 -4.330 -20.878 1.00 0.00 C ATOM 232 O GLN A 15 -16.459 -4.341 -21.576 1.00 0.00 O ATOM 233 CB GLN A 15 -15.548 -4.707 -18.400 1.00 0.00 C ATOM 234 CG GLN A 15 -16.911 -4.088 -18.302 1.00 0.00 C ATOM 235 CD GLN A 15 -17.133 -3.434 -16.965 1.00 0.00 C ATOM 236 OE1 GLN A 15 -16.821 -2.259 -16.780 1.00 0.00 O ATOM 237 NE2 GLN A 15 -17.665 -4.182 -16.026 1.00 0.00 N ATOM 0 H GLN A 15 -13.404 -5.715 -18.853 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.946 -6.170 -19.917 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.447 -5.461 -17.620 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.798 -3.941 -18.202 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -17.032 -3.348 -19.093 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.670 -4.853 -18.463 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.909 -5.153 -16.224 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.835 -3.792 -15.099 1.00 0.00 H new ATOM 246 N ALA A 16 -14.446 -3.470 -21.066 1.00 0.00 N ATOM 247 CA ALA A 16 -14.478 -2.481 -22.138 1.00 0.00 C ATOM 248 C ALA A 16 -14.377 -3.176 -23.492 1.00 0.00 C ATOM 249 O ALA A 16 -15.006 -2.769 -24.465 1.00 0.00 O ATOM 250 CB ALA A 16 -13.352 -1.473 -21.968 1.00 0.00 C ATOM 0 H ALA A 16 -13.606 -3.438 -20.489 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.425 -1.943 -22.091 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.392 -0.743 -22.777 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.463 -0.962 -21.012 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.393 -1.991 -21.993 1.00 0.00 H new ATOM 256 N PHE A 17 -13.587 -4.237 -23.529 1.00 0.00 N ATOM 257 CA PHE A 17 -13.416 -5.043 -24.730 1.00 0.00 C ATOM 258 C PHE A 17 -14.738 -5.722 -25.100 1.00 0.00 C ATOM 259 O PHE A 17 -15.100 -5.814 -26.273 1.00 0.00 O ATOM 260 CB PHE A 17 -12.311 -6.085 -24.521 1.00 0.00 C ATOM 261 CG PHE A 17 -12.092 -6.992 -25.698 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.369 -6.561 -26.798 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.606 -8.277 -25.700 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.164 -7.398 -27.879 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.407 -9.116 -26.773 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.684 -8.677 -27.866 1.00 0.00 C ATOM 0 H PHE A 17 -13.046 -4.565 -22.729 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.119 -4.392 -25.552 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.378 -5.569 -24.295 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.559 -6.692 -23.650 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.961 -5.561 -26.811 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.171 -8.626 -24.848 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.598 -7.052 -28.732 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.815 -10.116 -26.761 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.526 -9.334 -28.709 1.00 0.00 H new ATOM 276 N GLN A 18 -15.458 -6.185 -24.085 1.00 0.00 N ATOM 277 CA GLN A 18 -16.758 -6.813 -24.283 1.00 0.00 C ATOM 278 C GLN A 18 -17.749 -5.783 -24.809 1.00 0.00 C ATOM 279 O GLN A 18 -18.591 -6.082 -25.656 1.00 0.00 O ATOM 280 CB GLN A 18 -17.260 -7.412 -22.969 1.00 0.00 C ATOM 281 CG GLN A 18 -16.407 -8.560 -22.453 1.00 0.00 C ATOM 282 CD GLN A 18 -16.768 -8.971 -21.040 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.201 -8.148 -20.230 1.00 0.00 O ATOM 284 NE2 GLN A 18 -16.596 -10.239 -20.734 1.00 0.00 N ATOM 0 H GLN A 18 -15.161 -6.136 -23.111 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.660 -7.617 -25.013 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.294 -6.628 -22.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.282 -7.765 -23.108 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.521 -9.418 -23.116 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.357 -8.269 -22.485 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.235 -10.888 -21.433 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.823 -10.573 -19.797 1.00 0.00 H new ATOM 293 N ARG A 19 -17.628 -4.565 -24.305 1.00 0.00 N ATOM 294 CA ARG A 19 -18.455 -3.453 -24.750 1.00 0.00 C ATOM 295 C ARG A 19 -18.130 -3.117 -26.204 1.00 0.00 C ATOM 296 O ARG A 19 -19.011 -2.762 -26.993 1.00 0.00 O ATOM 297 CB ARG A 19 -18.210 -2.233 -23.852 1.00 0.00 C ATOM 298 CG ARG A 19 -18.971 -0.986 -24.265 1.00 0.00 C ATOM 299 CD ARG A 19 -20.466 -1.231 -24.283 1.00 0.00 C ATOM 300 NE ARG A 19 -21.207 -0.029 -24.632 1.00 0.00 N ATOM 301 CZ ARG A 19 -22.475 -0.014 -25.020 1.00 0.00 C ATOM 302 NH1 ARG A 19 -23.155 -1.153 -25.147 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -23.065 1.141 -25.289 1.00 0.00 N ATOM 0 H ARG A 19 -16.956 -4.319 -23.578 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.506 -3.733 -24.682 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.485 -2.489 -22.829 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.143 -2.008 -23.848 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.742 -0.173 -23.575 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.641 -0.667 -25.254 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.696 -2.020 -24.999 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.788 -1.585 -23.304 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.718 0.864 -24.574 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.700 -2.044 -24.945 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -24.130 -1.134 -25.446 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -22.544 2.013 -25.197 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -24.040 1.158 -25.588 1.00 0.00 H new ATOM 317 N LEU A 20 -16.857 -3.260 -26.542 1.00 0.00 N ATOM 318 CA LEU A 20 -16.368 -2.994 -27.885 1.00 0.00 C ATOM 319 C LEU A 20 -17.026 -3.944 -28.874 1.00 0.00 C ATOM 320 O LEU A 20 -17.351 -3.564 -29.997 1.00 0.00 O ATOM 321 CB LEU A 20 -14.851 -3.172 -27.938 1.00 0.00 C ATOM 322 CG LEU A 20 -14.180 -2.777 -29.250 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.183 -1.269 -29.413 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.762 -3.327 -29.317 1.00 0.00 C ATOM 0 H LEU A 20 -16.133 -3.564 -25.891 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.617 -1.967 -28.151 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.407 -2.585 -27.134 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.620 -4.218 -27.734 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.748 -3.211 -30.072 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.701 -1.004 -30.354 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.211 -0.905 -29.417 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.640 -0.813 -28.586 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.302 -3.034 -30.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.177 -2.927 -28.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.790 -4.415 -29.250 1.00 0.00 H new ATOM 336 N ARG A 21 -17.236 -5.180 -28.433 1.00 0.00 N ATOM 337 CA ARG A 21 -17.850 -6.202 -29.265 1.00 0.00 C ATOM 338 C ARG A 21 -19.275 -5.806 -29.650 1.00 0.00 C ATOM 339 O ARG A 21 -19.662 -5.917 -30.809 1.00 0.00 O ATOM 340 CB ARG A 21 -17.857 -7.558 -28.540 1.00 0.00 C ATOM 341 CG ARG A 21 -18.559 -8.665 -29.316 1.00 0.00 C ATOM 342 CD ARG A 21 -17.786 -9.054 -30.568 1.00 0.00 C ATOM 343 NE ARG A 21 -18.675 -9.505 -31.637 1.00 0.00 N ATOM 344 CZ ARG A 21 -18.421 -10.515 -32.476 1.00 0.00 C ATOM 345 NH1 ARG A 21 -17.342 -11.284 -32.313 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -19.260 -10.763 -33.467 1.00 0.00 N ATOM 0 H ARG A 21 -16.987 -5.497 -27.496 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.258 -6.294 -30.176 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.828 -7.860 -28.344 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.344 -7.440 -27.572 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.678 -9.539 -28.676 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.560 -8.336 -29.594 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.204 -8.201 -30.915 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.077 -9.846 -30.326 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.559 -9.010 -31.752 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.700 -11.104 -31.541 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.160 -12.051 -32.960 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.093 -10.186 -33.587 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.075 -11.531 -34.112 1.00 0.00 H new ATOM 360 N GLU A 22 -20.035 -5.316 -28.673 1.00 0.00 N ATOM 361 CA GLU A 22 -21.430 -4.937 -28.906 1.00 0.00 C ATOM 362 C GLU A 22 -21.510 -3.843 -29.951 1.00 0.00 C ATOM 363 O GLU A 22 -22.249 -3.951 -30.926 1.00 0.00 O ATOM 364 CB GLU A 22 -22.068 -4.432 -27.614 1.00 0.00 C ATOM 365 CG GLU A 22 -21.734 -5.257 -26.392 1.00 0.00 C ATOM 366 CD GLU A 22 -22.568 -4.870 -25.201 1.00 0.00 C ATOM 367 OE1 GLU A 22 -22.419 -3.735 -24.700 1.00 0.00 O ATOM 368 OE2 GLU A 22 -23.385 -5.702 -24.759 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.712 -5.172 -27.716 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.966 -5.819 -29.257 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.749 -3.404 -27.442 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.150 -4.413 -27.740 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -21.889 -6.313 -26.615 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.678 -5.134 -26.150 1.00 0.00 H new ATOM 375 N ILE A 23 -20.747 -2.793 -29.736 1.00 0.00 N ATOM 376 CA ILE A 23 -20.658 -1.683 -30.666 1.00 0.00 C ATOM 377 C ILE A 23 -20.206 -2.149 -32.055 1.00 0.00 C ATOM 378 O ILE A 23 -20.664 -1.629 -33.077 1.00 0.00 O ATOM 379 CB ILE A 23 -19.700 -0.614 -30.122 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.207 -0.117 -28.769 1.00 0.00 C ATOM 381 CG2 ILE A 23 -19.577 0.539 -31.098 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.265 0.825 -28.076 1.00 0.00 C ATOM 0 H ILE A 23 -20.166 -2.683 -28.905 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.653 -1.251 -30.770 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.711 -1.054 -29.994 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.165 0.383 -28.912 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.388 -0.975 -28.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.894 1.286 -30.694 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.192 0.171 -32.049 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.557 0.990 -31.254 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.695 1.134 -27.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.313 0.324 -27.900 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.102 1.703 -28.702 1.00 0.00 H new ATOM 394 N PHE A 24 -19.329 -3.140 -32.077 1.00 0.00 N ATOM 395 CA PHE A 24 -18.818 -3.682 -33.327 1.00 0.00 C ATOM 396 C PHE A 24 -19.949 -4.391 -34.074 1.00 0.00 C ATOM 397 O PHE A 24 -20.147 -4.185 -35.273 1.00 0.00 O ATOM 398 CB PHE A 24 -17.658 -4.652 -33.062 1.00 0.00 C ATOM 399 CG PHE A 24 -17.009 -5.186 -34.311 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.014 -4.466 -34.951 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.392 -6.409 -34.843 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.414 -4.952 -36.096 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.796 -6.900 -35.989 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.806 -6.170 -36.616 1.00 0.00 C ATOM 0 H PHE A 24 -18.955 -3.587 -31.240 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.439 -2.865 -33.941 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.903 -4.144 -32.461 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.026 -5.490 -32.470 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.703 -3.513 -34.550 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.165 -6.984 -34.356 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.639 -4.380 -36.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.104 -7.853 -36.393 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.339 -6.551 -37.512 1.00 0.00 H new ATOM 414 N ASP A 25 -20.688 -5.225 -33.350 1.00 0.00 N ATOM 415 CA ASP A 25 -21.840 -5.935 -33.915 1.00 0.00 C ATOM 416 C ASP A 25 -22.931 -4.959 -34.356 1.00 0.00 C ATOM 417 O ASP A 25 -23.719 -5.257 -35.256 1.00 0.00 O ATOM 418 CB ASP A 25 -22.428 -6.929 -32.903 1.00 0.00 C ATOM 419 CG ASP A 25 -21.494 -8.075 -32.570 1.00 0.00 C ATOM 420 OD1 ASP A 25 -21.098 -8.813 -33.487 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.180 -8.269 -31.380 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.512 -5.429 -32.366 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.482 -6.483 -34.786 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.678 -6.396 -31.986 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.359 -7.333 -33.301 1.00 0.00 H new ATOM 426 N LYS A 26 -22.978 -3.799 -33.717 1.00 0.00 N ATOM 427 CA LYS A 26 -23.975 -2.781 -34.038 1.00 0.00 C ATOM 428 C LYS A 26 -23.478 -1.836 -35.129 1.00 0.00 C ATOM 429 O LYS A 26 -24.219 -0.970 -35.587 1.00 0.00 O ATOM 430 CB LYS A 26 -24.355 -1.981 -32.784 1.00 0.00 C ATOM 431 CG LYS A 26 -25.138 -2.777 -31.747 1.00 0.00 C ATOM 432 CD LYS A 26 -26.525 -3.142 -32.255 1.00 0.00 C ATOM 433 CE LYS A 26 -27.291 -3.973 -31.238 1.00 0.00 C ATOM 434 NZ LYS A 26 -28.669 -4.277 -31.694 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.336 -3.536 -32.970 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.860 -3.296 -34.412 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.445 -1.599 -32.321 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.947 -1.116 -33.084 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.591 -3.685 -31.495 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.227 -2.194 -30.830 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.083 -2.232 -32.477 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.437 -3.698 -33.188 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.756 -4.905 -31.054 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -27.333 -3.437 -30.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -29.156 -4.845 -30.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -29.189 -3.389 -31.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.630 -4.811 -32.586 1.00 0.00 H new ATOM 448 N GLY A 27 -22.228 -2.019 -35.547 1.00 0.00 N ATOM 449 CA GLY A 27 -21.643 -1.172 -36.578 1.00 0.00 C ATOM 450 C GLY A 27 -21.664 0.314 -36.247 1.00 0.00 C ATOM 451 O GLY A 27 -21.699 1.149 -37.153 1.00 0.00 O ATOM 0 H GLY A 27 -21.605 -2.743 -35.189 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.611 -1.482 -36.745 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.180 -1.333 -37.513 1.00 0.00 H new ATOM 455 N ASP A 28 -21.643 0.655 -34.965 1.00 0.00 N ATOM 456 CA ASP A 28 -21.695 2.059 -34.568 1.00 0.00 C ATOM 457 C ASP A 28 -20.293 2.630 -34.413 1.00 0.00 C ATOM 458 O ASP A 28 -19.722 2.638 -33.321 1.00 0.00 O ATOM 459 CB ASP A 28 -22.502 2.248 -33.282 1.00 0.00 C ATOM 460 CG ASP A 28 -22.822 3.709 -33.014 1.00 0.00 C ATOM 461 OD1 ASP A 28 -21.940 4.441 -32.531 1.00 0.00 O ATOM 462 OD2 ASP A 28 -23.966 4.131 -33.279 1.00 0.00 O1- ATOM 0 H ASP A 28 -21.591 -0.008 -34.192 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.203 2.607 -35.362 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.431 1.681 -33.351 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.942 1.840 -32.440 1.00 0.00 H new ATOM 467 N ASP A 29 -19.732 3.072 -35.526 1.00 0.00 N ATOM 468 CA ASP A 29 -18.382 3.642 -35.560 1.00 0.00 C ATOM 469 C ASP A 29 -18.228 4.834 -34.613 1.00 0.00 C ATOM 470 O ASP A 29 -17.127 5.103 -34.120 1.00 0.00 O ATOM 471 CB ASP A 29 -18.019 4.076 -36.985 1.00 0.00 C ATOM 472 CG ASP A 29 -17.932 2.922 -37.961 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.960 2.587 -38.596 1.00 0.00 O ATOM 474 OD2 ASP A 29 -16.837 2.355 -38.122 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.194 3.049 -36.435 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.702 2.858 -35.225 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.764 4.788 -37.341 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.063 4.598 -36.965 1.00 0.00 H new ATOM 479 N ASP A 30 -19.319 5.547 -34.363 1.00 0.00 N ATOM 480 CA ASP A 30 -19.286 6.732 -33.497 1.00 0.00 C ATOM 481 C ASP A 30 -18.939 6.354 -32.070 1.00 0.00 C ATOM 482 O ASP A 30 -18.059 6.954 -31.446 1.00 0.00 O ATOM 483 CB ASP A 30 -20.642 7.437 -33.508 1.00 0.00 C ATOM 484 CG ASP A 30 -21.011 7.968 -34.866 1.00 0.00 C ATOM 485 OD1 ASP A 30 -20.539 9.060 -35.230 1.00 0.00 O ATOM 486 OD2 ASP A 30 -21.775 7.296 -35.578 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.240 5.330 -34.745 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.519 7.403 -33.884 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.411 6.741 -33.174 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.625 8.260 -32.793 1.00 0.00 H new ATOM 491 N SER A 31 -19.630 5.365 -31.560 1.00 0.00 N ATOM 492 CA SER A 31 -19.412 4.887 -30.217 1.00 0.00 C ATOM 493 C SER A 31 -18.107 4.095 -30.146 1.00 0.00 C ATOM 494 O SER A 31 -17.401 4.114 -29.131 1.00 0.00 O ATOM 495 CB SER A 31 -20.599 4.021 -29.785 1.00 0.00 C ATOM 496 OG SER A 31 -20.611 3.805 -28.386 1.00 0.00 O ATOM 0 H SER A 31 -20.362 4.867 -32.066 1.00 0.00 H new ATOM 0 HA SER A 31 -19.331 5.735 -29.537 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.529 4.503 -30.086 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.556 3.062 -30.300 1.00 0.00 H new ATOM 0 HG SER A 31 -21.383 3.250 -28.147 1.00 0.00 H new ATOM 502 N LEU A 32 -17.777 3.433 -31.251 1.00 0.00 N ATOM 503 CA LEU A 32 -16.590 2.594 -31.344 1.00 0.00 C ATOM 504 C LEU A 32 -15.317 3.399 -31.091 1.00 0.00 C ATOM 505 O LEU A 32 -14.455 2.970 -30.329 1.00 0.00 O ATOM 506 CB LEU A 32 -16.529 1.961 -32.740 1.00 0.00 C ATOM 507 CG LEU A 32 -15.520 0.831 -32.935 1.00 0.00 C ATOM 508 CD1 LEU A 32 -15.988 -0.429 -32.228 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.300 0.564 -34.416 1.00 0.00 C ATOM 0 H LEU A 32 -18.328 3.464 -32.109 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.655 1.819 -30.580 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.520 1.579 -32.984 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.304 2.747 -33.461 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.570 1.137 -32.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.257 -1.223 -32.378 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.094 -0.230 -31.162 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.950 -0.739 -32.636 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.578 -0.244 -34.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.245 0.279 -34.879 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.919 1.466 -34.896 1.00 0.00 H new ATOM 521 N GLU A 33 -15.215 4.575 -31.705 1.00 0.00 N ATOM 522 CA GLU A 33 -14.027 5.412 -31.539 1.00 0.00 C ATOM 523 C GLU A 33 -13.830 5.818 -30.085 1.00 0.00 C ATOM 524 O GLU A 33 -12.715 5.773 -29.566 1.00 0.00 O ATOM 525 CB GLU A 33 -14.092 6.656 -32.416 1.00 0.00 C ATOM 526 CG GLU A 33 -13.926 6.382 -33.897 1.00 0.00 C ATOM 527 CD GLU A 33 -13.698 7.651 -34.680 1.00 0.00 C ATOM 528 OE1 GLU A 33 -14.666 8.186 -35.249 1.00 0.00 O ATOM 529 OE2 GLU A 33 -12.548 8.134 -34.710 1.00 0.00 O1- ATOM 0 H GLU A 33 -15.931 4.968 -32.316 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.173 4.811 -31.852 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.050 7.151 -32.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.316 7.352 -32.098 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.085 5.705 -34.049 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.815 5.877 -34.275 1.00 0.00 H new ATOM 536 N GLN A 34 -14.918 6.186 -29.429 1.00 0.00 N ATOM 537 CA GLN A 34 -14.867 6.613 -28.040 1.00 0.00 C ATOM 538 C GLN A 34 -14.390 5.475 -27.145 1.00 0.00 C ATOM 539 O GLN A 34 -13.551 5.669 -26.257 1.00 0.00 O ATOM 540 CB GLN A 34 -16.245 7.088 -27.589 1.00 0.00 C ATOM 541 CG GLN A 34 -16.298 7.534 -26.140 1.00 0.00 C ATOM 542 CD GLN A 34 -17.698 7.878 -25.698 1.00 0.00 C ATOM 543 OE1 GLN A 34 -18.676 7.319 -26.196 1.00 0.00 O ATOM 544 NE2 GLN A 34 -17.810 8.793 -24.763 1.00 0.00 N ATOM 0 H GLN A 34 -15.852 6.198 -29.838 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.159 7.438 -27.958 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.559 7.915 -28.225 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.963 6.281 -27.737 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.903 6.742 -25.504 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.653 8.403 -26.006 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.974 9.232 -24.376 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.733 9.065 -24.423 1.00 0.00 H new ATOM 553 N VAL A 35 -14.919 4.289 -27.390 1.00 0.00 N ATOM 554 CA VAL A 35 -14.559 3.118 -26.618 1.00 0.00 C ATOM 555 C VAL A 35 -13.129 2.669 -26.919 1.00 0.00 C ATOM 556 O VAL A 35 -12.418 2.230 -26.023 1.00 0.00 O ATOM 557 CB VAL A 35 -15.567 1.967 -26.848 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.078 0.665 -26.231 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.913 2.350 -26.260 1.00 0.00 C ATOM 0 H VAL A 35 -15.605 4.113 -28.124 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.601 3.393 -25.564 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.665 1.807 -27.922 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.811 -0.121 -26.412 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.126 0.384 -26.681 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.946 0.798 -25.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.624 1.540 -26.421 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.805 2.530 -25.190 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.278 3.255 -26.745 1.00 0.00 H new ATOM 569 N LEU A 36 -12.697 2.814 -28.172 1.00 0.00 N ATOM 570 CA LEU A 36 -11.327 2.451 -28.550 1.00 0.00 C ATOM 571 C LEU A 36 -10.326 3.285 -27.767 1.00 0.00 C ATOM 572 O LEU A 36 -9.264 2.797 -27.373 1.00 0.00 O ATOM 573 CB LEU A 36 -11.100 2.653 -30.054 1.00 0.00 C ATOM 574 CG LEU A 36 -11.791 1.654 -30.983 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.639 2.088 -32.431 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.218 0.258 -30.788 1.00 0.00 C ATOM 0 H LEU A 36 -13.267 3.176 -28.936 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.182 1.397 -28.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.436 3.656 -30.319 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.028 2.614 -30.247 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.852 1.629 -30.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.136 1.368 -33.081 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.091 3.070 -32.566 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.581 2.138 -32.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.722 -0.439 -31.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.151 0.268 -31.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.370 -0.057 -29.755 1.00 0.00 H new ATOM 588 N GLU A 37 -10.672 4.540 -27.534 1.00 0.00 N ATOM 589 CA GLU A 37 -9.829 5.429 -26.761 1.00 0.00 C ATOM 590 C GLU A 37 -9.838 5.017 -25.297 1.00 0.00 C ATOM 591 O GLU A 37 -8.804 5.007 -24.642 1.00 0.00 O ATOM 592 CB GLU A 37 -10.293 6.874 -26.912 1.00 0.00 C ATOM 593 CG GLU A 37 -10.157 7.411 -28.323 1.00 0.00 C ATOM 594 CD GLU A 37 -8.731 7.357 -28.823 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.442 6.555 -29.735 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.888 8.111 -28.304 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.535 4.965 -27.872 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.809 5.357 -27.138 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.336 6.946 -26.604 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.716 7.505 -26.235 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.796 6.835 -28.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.511 8.441 -28.353 1.00 0.00 H new ATOM 603 N GLU A 38 -11.017 4.643 -24.803 1.00 0.00 N ATOM 604 CA GLU A 38 -11.178 4.202 -23.421 1.00 0.00 C ATOM 605 C GLU A 38 -10.347 2.943 -23.185 1.00 0.00 C ATOM 606 O GLU A 38 -9.658 2.810 -22.172 1.00 0.00 O ATOM 607 CB GLU A 38 -12.660 3.905 -23.142 1.00 0.00 C ATOM 608 CG GLU A 38 -12.969 3.561 -21.694 1.00 0.00 C ATOM 609 CD GLU A 38 -12.897 4.762 -20.780 1.00 0.00 C ATOM 610 OE1 GLU A 38 -13.948 5.153 -20.225 1.00 0.00 O ATOM 611 OE2 GLU A 38 -11.800 5.322 -20.611 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.881 4.637 -25.346 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.837 4.990 -22.749 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.253 4.773 -23.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.978 3.077 -23.775 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.965 3.123 -21.634 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.266 2.803 -21.347 1.00 0.00 H new ATOM 618 N ILE A 39 -10.411 2.042 -24.152 1.00 0.00 N ATOM 619 CA ILE A 39 -9.670 0.796 -24.097 1.00 0.00 C ATOM 620 C ILE A 39 -8.172 1.069 -24.096 1.00 0.00 C ATOM 621 O ILE A 39 -7.443 0.521 -23.277 1.00 0.00 O ATOM 622 CB ILE A 39 -10.035 -0.153 -25.266 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.491 -0.600 -25.140 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.107 -1.365 -25.292 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.940 -1.536 -26.234 1.00 0.00 C ATOM 0 H ILE A 39 -10.976 2.155 -24.993 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.948 0.297 -23.169 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.910 0.389 -26.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.628 -1.091 -24.176 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.133 0.281 -25.143 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.383 -2.017 -26.121 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.077 -1.032 -25.419 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.198 -1.913 -24.354 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.983 -1.808 -26.075 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.837 -1.042 -27.200 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.324 -2.435 -26.219 1.00 0.00 H new ATOM 637 N GLU A 40 -7.725 1.940 -25.000 1.00 0.00 N ATOM 638 CA GLU A 40 -6.312 2.304 -25.087 1.00 0.00 C ATOM 639 C GLU A 40 -5.815 2.864 -23.753 1.00 0.00 C ATOM 640 O GLU A 40 -4.722 2.530 -23.302 1.00 0.00 O ATOM 641 CB GLU A 40 -6.105 3.339 -26.199 1.00 0.00 C ATOM 642 CG GLU A 40 -4.912 3.057 -27.110 1.00 0.00 C ATOM 643 CD GLU A 40 -3.583 3.063 -26.384 1.00 0.00 C ATOM 644 OE1 GLU A 40 -2.963 4.145 -26.272 1.00 0.00 O ATOM 645 OE2 GLU A 40 -3.136 1.988 -25.946 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.322 2.407 -25.683 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.738 1.407 -25.321 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.008 3.386 -26.808 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.975 4.321 -25.745 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.051 2.088 -27.588 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.887 3.803 -27.904 1.00 0.00 H new ATOM 652 N GLU A 41 -6.642 3.678 -23.103 1.00 0.00 N ATOM 653 CA GLU A 41 -6.271 4.262 -21.823 1.00 0.00 C ATOM 654 C GLU A 41 -6.147 3.174 -20.765 1.00 0.00 C ATOM 655 O GLU A 41 -5.241 3.202 -19.929 1.00 0.00 O ATOM 656 CB GLU A 41 -7.302 5.303 -21.375 1.00 0.00 C ATOM 657 CG GLU A 41 -7.483 6.462 -22.342 1.00 0.00 C ATOM 658 CD GLU A 41 -6.190 7.175 -22.650 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.623 7.806 -21.734 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.740 7.129 -23.813 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.567 3.945 -23.441 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.308 4.758 -21.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.263 4.808 -21.235 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.003 5.699 -20.404 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.917 6.090 -23.270 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.193 7.173 -21.920 1.00 0.00 H new ATOM 667 N LEU A 42 -7.051 2.199 -20.820 1.00 0.00 N ATOM 668 CA LEU A 42 -7.051 1.092 -19.876 1.00 0.00 C ATOM 669 C LEU A 42 -5.852 0.183 -20.110 1.00 0.00 C ATOM 670 O LEU A 42 -5.273 -0.349 -19.162 1.00 0.00 O ATOM 671 CB LEU A 42 -8.355 0.296 -19.977 1.00 0.00 C ATOM 672 CG LEU A 42 -9.627 1.048 -19.582 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.849 0.169 -19.770 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.537 1.533 -18.145 1.00 0.00 C ATOM 0 H LEU A 42 -7.797 2.156 -21.515 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.977 1.504 -18.870 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.466 -0.054 -21.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.268 -0.589 -19.346 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.726 1.917 -20.233 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.743 0.723 -19.483 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.926 -0.128 -20.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.757 -0.720 -19.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.451 2.066 -17.883 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.411 0.679 -17.480 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.684 2.203 -18.040 1.00 0.00 H new ATOM 686 N ILE A 43 -5.480 0.010 -21.378 1.00 0.00 N ATOM 687 CA ILE A 43 -4.321 -0.799 -21.728 1.00 0.00 C ATOM 688 C ILE A 43 -3.078 -0.187 -21.111 1.00 0.00 C ATOM 689 O ILE A 43 -2.273 -0.881 -20.494 1.00 0.00 O ATOM 690 CB ILE A 43 -4.126 -0.904 -23.267 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.314 -1.624 -23.912 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.820 -1.626 -23.598 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.236 -1.698 -25.424 1.00 0.00 C ATOM 0 H ILE A 43 -5.966 0.420 -22.176 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.489 -1.804 -21.342 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.072 0.106 -23.673 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.375 -2.636 -23.511 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.234 -1.112 -23.629 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.703 -1.689 -24.680 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.981 -1.074 -23.174 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.843 -2.631 -23.177 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.111 -2.221 -25.808 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.206 -0.690 -25.837 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.334 -2.236 -25.716 1.00 0.00 H new ATOM 705 N GLN A 44 -2.949 1.125 -21.258 1.00 0.00 N ATOM 706 CA GLN A 44 -1.824 1.858 -20.696 1.00 0.00 C ATOM 707 C GLN A 44 -1.833 1.761 -19.175 1.00 0.00 C ATOM 708 O GLN A 44 -0.800 1.572 -18.554 1.00 0.00 O ATOM 709 CB GLN A 44 -1.878 3.325 -21.127 1.00 0.00 C ATOM 710 CG GLN A 44 -1.893 3.519 -22.634 1.00 0.00 C ATOM 711 CD GLN A 44 -0.674 2.929 -23.311 1.00 0.00 C ATOM 712 OE1 GLN A 44 0.415 2.889 -22.733 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.847 2.455 -24.528 1.00 0.00 N ATOM 0 H GLN A 44 -3.616 1.706 -21.766 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.901 1.414 -21.070 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.769 3.787 -20.701 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.017 3.849 -20.711 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.791 3.059 -23.047 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.948 4.584 -22.859 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.765 2.508 -24.970 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.063 2.035 -25.028 1.00 0.00 H new ATOM 722 N LYS A 45 -3.016 1.883 -18.595 1.00 0.00 N ATOM 723 CA LYS A 45 -3.192 1.801 -17.145 1.00 0.00 C ATOM 724 C LYS A 45 -2.765 0.429 -16.608 1.00 0.00 C ATOM 725 O LYS A 45 -2.121 0.331 -15.565 1.00 0.00 O ATOM 726 CB LYS A 45 -4.658 2.063 -16.783 1.00 0.00 C ATOM 727 CG LYS A 45 -4.951 2.026 -15.292 1.00 0.00 C ATOM 728 CD LYS A 45 -6.446 2.061 -15.027 1.00 0.00 C ATOM 729 CE LYS A 45 -6.748 2.044 -13.538 1.00 0.00 C ATOM 730 NZ LYS A 45 -8.202 1.936 -13.275 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.882 2.041 -19.110 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.558 2.559 -16.685 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.948 3.038 -17.174 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.281 1.321 -17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.522 1.123 -14.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.472 2.874 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.875 2.957 -15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.922 1.205 -15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.231 1.206 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.361 2.953 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.394 2.180 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.717 2.590 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.517 0.962 -13.459 1.00 0.00 H new ATOM 744 N HIS A 46 -3.110 -0.619 -17.337 1.00 0.00 N ATOM 745 CA HIS A 46 -2.805 -1.983 -16.927 1.00 0.00 C ATOM 746 C HIS A 46 -1.337 -2.319 -17.221 1.00 0.00 C ATOM 747 O HIS A 46 -0.650 -2.913 -16.395 1.00 0.00 O ATOM 748 CB HIS A 46 -3.769 -2.946 -17.650 1.00 0.00 C ATOM 749 CG HIS A 46 -3.516 -4.422 -17.463 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.844 -5.125 -16.316 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.038 -5.338 -18.331 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.578 -6.406 -16.502 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.088 -6.564 -17.718 1.00 0.00 N ATOM 0 H HIS A 46 -3.607 -0.551 -18.225 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.945 -2.089 -15.851 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.783 -2.729 -17.314 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.733 -2.727 -18.717 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.229 -4.719 -15.463 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.680 -5.141 -19.331 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.735 -7.193 -15.779 1.00 0.00 H new ATOM 761 N ARG A 47 -0.874 -1.932 -18.408 1.00 0.00 N ATOM 762 CA ARG A 47 0.507 -2.179 -18.836 1.00 0.00 C ATOM 763 C ARG A 47 1.511 -1.417 -17.975 1.00 0.00 C ATOM 764 O ARG A 47 2.573 -1.936 -17.654 1.00 0.00 O ATOM 765 CB ARG A 47 0.673 -1.787 -20.310 1.00 0.00 C ATOM 766 CG ARG A 47 2.010 -2.174 -20.924 1.00 0.00 C ATOM 767 CD ARG A 47 2.003 -1.948 -22.427 1.00 0.00 C ATOM 768 NE ARG A 47 3.044 -2.721 -23.111 1.00 0.00 N ATOM 769 CZ ARG A 47 4.129 -2.197 -23.679 1.00 0.00 C ATOM 770 NH1 ARG A 47 4.353 -0.891 -23.629 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 4.989 -2.989 -24.303 1.00 0.00 N ATOM 0 H ARG A 47 -1.440 -1.440 -19.099 1.00 0.00 H new ATOM 0 HA ARG A 47 0.709 -3.243 -18.715 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.125 -2.253 -20.888 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.545 -0.708 -20.402 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.807 -1.587 -20.468 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.223 -3.222 -20.711 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.027 -2.222 -22.829 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.147 -0.887 -22.633 1.00 0.00 H new ATOM 0 HE ARG A 47 2.929 -3.734 -23.155 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.692 -0.278 -23.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.187 -0.499 -24.067 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.818 -3.994 -24.346 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.822 -2.594 -24.740 1.00 0.00 H new ATOM 785 N GLN A 48 1.159 -0.194 -17.593 1.00 0.00 N ATOM 786 CA GLN A 48 2.043 0.646 -16.785 1.00 0.00 C ATOM 787 C GLN A 48 2.405 -0.038 -15.470 1.00 0.00 C ATOM 788 O GLN A 48 3.517 0.116 -14.968 1.00 0.00 O ATOM 789 CB GLN A 48 1.385 1.997 -16.507 1.00 0.00 C ATOM 790 CG GLN A 48 2.336 3.034 -15.944 1.00 0.00 C ATOM 791 CD GLN A 48 3.474 3.347 -16.896 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.321 3.276 -18.118 1.00 0.00 O ATOM 793 NE2 GLN A 48 4.619 3.686 -16.347 1.00 0.00 N ATOM 0 H GLN A 48 0.267 0.240 -17.829 1.00 0.00 H new ATOM 0 HA GLN A 48 2.961 0.805 -17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.953 2.378 -17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.562 1.853 -15.807 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.785 3.949 -15.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.744 2.675 -14.999 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.704 3.733 -15.332 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.423 3.902 -16.936 1.00 0.00 H new ATOM 802 N LEU A 49 1.472 -0.807 -14.936 1.00 0.00 N ATOM 803 CA LEU A 49 1.700 -1.541 -13.700 1.00 0.00 C ATOM 804 C LEU A 49 2.801 -2.582 -13.900 1.00 0.00 C ATOM 805 O LEU A 49 3.639 -2.798 -13.019 1.00 0.00 O ATOM 806 CB LEU A 49 0.410 -2.222 -13.243 1.00 0.00 C ATOM 807 CG LEU A 49 -0.744 -1.286 -12.882 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.000 -2.082 -12.578 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.372 -0.409 -11.696 1.00 0.00 C ATOM 0 H LEU A 49 0.545 -0.941 -15.340 1.00 0.00 H new ATOM 0 HA LEU A 49 2.017 -0.837 -12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.075 -2.893 -14.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.636 -2.841 -12.375 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.942 -0.641 -13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.811 -1.399 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.280 -2.668 -13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.812 -2.752 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.206 0.250 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.146 -1.038 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.503 0.191 -11.947 1.00 0.00 H new ATOM 821 N PHE A 50 2.810 -3.192 -15.080 1.00 0.00 N ATOM 822 CA PHE A 50 3.795 -4.205 -15.419 1.00 0.00 C ATOM 823 C PHE A 50 5.126 -3.551 -15.772 1.00 0.00 C ATOM 824 O PHE A 50 6.190 -4.102 -15.502 1.00 0.00 O ATOM 825 CB PHE A 50 3.297 -5.081 -16.579 1.00 0.00 C ATOM 826 CG PHE A 50 4.301 -6.102 -17.044 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.737 -7.105 -16.192 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.811 -6.055 -18.332 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.661 -8.040 -16.617 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.734 -6.988 -18.761 1.00 0.00 C ATOM 831 CZ PHE A 50 6.160 -7.981 -17.902 1.00 0.00 C ATOM 0 H PHE A 50 2.138 -2.998 -15.822 1.00 0.00 H new ATOM 0 HA PHE A 50 3.944 -4.846 -14.550 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.387 -5.595 -16.269 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.030 -4.439 -17.418 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.350 -7.156 -15.185 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.483 -5.279 -19.008 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.993 -8.817 -15.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.122 -6.941 -19.768 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.883 -8.711 -18.235 1.00 0.00 H new ATOM 841 N ASP A 51 5.056 -2.364 -16.368 1.00 0.00 N ATOM 842 CA ASP A 51 6.261 -1.618 -16.716 1.00 0.00 C ATOM 843 C ASP A 51 6.964 -1.177 -15.454 1.00 0.00 C ATOM 844 O ASP A 51 8.194 -1.160 -15.385 1.00 0.00 O ATOM 845 CB ASP A 51 5.947 -0.398 -17.591 1.00 0.00 C ATOM 846 CG ASP A 51 5.679 -0.755 -19.039 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.527 -1.436 -19.656 1.00 0.00 O ATOM 848 OD2 ASP A 51 4.640 -0.326 -19.579 1.00 0.00 O1- ATOM 0 H ASP A 51 4.183 -1.900 -16.619 1.00 0.00 H new ATOM 0 HA ASP A 51 6.908 -2.278 -17.293 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.078 0.119 -17.184 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.783 0.299 -17.544 1.00 0.00 H new ATOM 969 N GLU A 60 5.044 -16.361 -20.367 1.00 0.00 N ATOM 970 CA GLU A 60 4.157 -16.576 -21.512 1.00 0.00 C ATOM 971 C GLU A 60 3.012 -15.577 -21.493 1.00 0.00 C ATOM 972 O GLU A 60 2.614 -15.050 -22.535 1.00 0.00 O ATOM 973 CB GLU A 60 3.613 -18.011 -21.531 1.00 0.00 C ATOM 974 CG GLU A 60 2.825 -18.350 -22.791 1.00 0.00 C ATOM 975 CD GLU A 60 2.348 -19.787 -22.821 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.199 -20.701 -22.880 1.00 0.00 O ATOM 977 OE2 GLU A 60 1.120 -20.013 -22.812 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.740 -16.424 -22.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.446 -18.707 -21.436 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.973 -18.159 -20.662 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.964 -17.685 -22.864 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.449 -18.162 -23.665 1.00 0.00 H new ATOM 984 N ALA A 61 2.504 -15.301 -20.298 1.00 0.00 N ATOM 985 CA ALA A 61 1.414 -14.355 -20.130 1.00 0.00 C ATOM 986 C ALA A 61 1.830 -12.967 -20.598 1.00 0.00 C ATOM 987 O ALA A 61 1.076 -12.285 -21.282 1.00 0.00 O ATOM 988 CB ALA A 61 0.965 -14.317 -18.675 1.00 0.00 C ATOM 0 H ALA A 61 2.833 -15.722 -19.429 1.00 0.00 H new ATOM 0 HA ALA A 61 0.575 -14.684 -20.743 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.148 -13.604 -18.565 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.625 -15.308 -18.373 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.800 -14.012 -18.044 1.00 0.00 H new ATOM 994 N ALA A 62 3.041 -12.559 -20.233 1.00 0.00 N ATOM 995 CA ALA A 62 3.564 -11.263 -20.639 1.00 0.00 C ATOM 996 C ALA A 62 3.731 -11.185 -22.157 1.00 0.00 C ATOM 997 O ALA A 62 3.417 -10.166 -22.771 1.00 0.00 O ATOM 998 CB ALA A 62 4.887 -10.987 -19.941 1.00 0.00 C ATOM 0 H ALA A 62 3.678 -13.109 -19.656 1.00 0.00 H new ATOM 0 HA ALA A 62 2.845 -10.499 -20.343 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.267 -10.014 -20.254 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.736 -10.988 -18.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.607 -11.761 -20.207 1.00 0.00 H new ATOM 1004 N LYS A 63 4.225 -12.267 -22.754 1.00 0.00 N ATOM 1005 CA LYS A 63 4.413 -12.321 -24.205 1.00 0.00 C ATOM 1006 C LYS A 63 3.082 -12.192 -24.939 1.00 0.00 C ATOM 1007 O LYS A 63 2.973 -11.440 -25.911 1.00 0.00 O ATOM 1008 CB LYS A 63 5.103 -13.623 -24.616 1.00 0.00 C ATOM 1009 CG LYS A 63 6.513 -13.779 -24.077 1.00 0.00 C ATOM 1010 CD LYS A 63 7.120 -15.104 -24.508 1.00 0.00 C ATOM 1011 CE LYS A 63 8.536 -15.269 -23.982 1.00 0.00 C ATOM 1012 NZ LYS A 63 9.445 -14.199 -24.470 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.502 -13.115 -22.260 1.00 0.00 H new ATOM 0 HA LYS A 63 5.047 -11.479 -24.483 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.500 -14.464 -24.273 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.134 -13.676 -25.704 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.135 -12.958 -24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.498 -13.719 -22.989 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.499 -15.924 -24.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.126 -15.165 -25.596 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.520 -15.261 -22.892 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.924 -16.241 -24.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.431 -14.465 -24.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.317 -14.075 -25.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.224 -13.307 -23.983 1.00 0.00 H new ATOM 1026 N GLN A 64 2.070 -12.913 -24.472 1.00 0.00 N ATOM 1027 CA GLN A 64 0.753 -12.846 -25.094 1.00 0.00 C ATOM 1028 C GLN A 64 0.089 -11.510 -24.797 1.00 0.00 C ATOM 1029 O GLN A 64 -0.690 -11.002 -25.600 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.138 -14.023 -24.666 1.00 0.00 C ATOM 1031 CG GLN A 64 0.449 -15.375 -25.039 1.00 0.00 C ATOM 1032 CD GLN A 64 -0.592 -16.446 -25.319 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.677 -16.467 -24.732 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.269 -17.337 -26.236 1.00 0.00 N ATOM 0 H GLN A 64 2.134 -13.544 -23.673 1.00 0.00 H new ATOM 0 HA GLN A 64 0.888 -12.926 -26.173 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.290 -13.984 -23.587 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.119 -13.918 -25.130 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.078 -15.255 -25.921 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.096 -15.714 -24.230 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.638 -17.286 -26.699 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.926 -18.077 -26.482 1.00 0.00 H new ATOM 1043 N GLY A 65 0.423 -10.943 -23.645 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.121 -9.655 -23.266 1.00 0.00 C ATOM 1045 C GLY A 65 0.333 -8.565 -24.214 1.00 0.00 C ATOM 1046 O GLY A 65 -0.482 -7.798 -24.727 1.00 0.00 O ATOM 0 H GLY A 65 1.063 -11.354 -22.965 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.210 -9.705 -23.261 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.192 -9.410 -22.251 1.00 0.00 H new ATOM 1050 N ASP A 66 1.637 -8.512 -24.470 1.00 0.00 N ATOM 1051 CA ASP A 66 2.190 -7.545 -25.421 1.00 0.00 C ATOM 1052 C ASP A 66 1.684 -7.823 -26.825 1.00 0.00 C ATOM 1053 O ASP A 66 1.410 -6.900 -27.592 1.00 0.00 O ATOM 1054 CB ASP A 66 3.728 -7.549 -25.407 1.00 0.00 C ATOM 1055 CG ASP A 66 4.327 -6.634 -24.347 1.00 0.00 C ATOM 1056 OD1 ASP A 66 3.961 -5.441 -24.301 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.199 -7.095 -23.583 1.00 0.00 O1- ATOM 0 H ASP A 66 2.330 -9.123 -24.036 1.00 0.00 H new ATOM 0 HA ASP A 66 1.852 -6.557 -25.110 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.079 -8.567 -25.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.093 -7.244 -26.388 1.00 0.00 H new ATOM 1062 N GLN A 67 1.552 -9.105 -27.152 1.00 0.00 N ATOM 1063 CA GLN A 67 1.073 -9.524 -28.460 1.00 0.00 C ATOM 1064 C GLN A 67 -0.355 -9.031 -28.683 1.00 0.00 C ATOM 1065 O GLN A 67 -0.704 -8.571 -29.771 1.00 0.00 O ATOM 1066 CB GLN A 67 1.126 -11.049 -28.565 1.00 0.00 C ATOM 1067 CG GLN A 67 1.050 -11.576 -29.984 1.00 0.00 C ATOM 1068 CD GLN A 67 2.209 -11.098 -30.840 1.00 0.00 C ATOM 1069 OE1 GLN A 67 3.306 -10.840 -30.335 1.00 0.00 O ATOM 1070 NE2 GLN A 67 1.982 -10.990 -32.132 1.00 0.00 N ATOM 0 H GLN A 67 1.773 -9.876 -26.521 1.00 0.00 H new ATOM 0 HA GLN A 67 1.714 -9.091 -29.228 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.050 -11.402 -28.107 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.303 -11.471 -27.988 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.041 -12.666 -29.964 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.111 -11.258 -30.437 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.061 -11.213 -32.508 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.727 -10.683 -32.757 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.168 -9.118 -27.634 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.553 -8.666 -27.681 1.00 0.00 C ATOM 1081 C TRP A 68 -2.608 -7.169 -27.968 1.00 0.00 C ATOM 1082 O TRP A 68 -3.465 -6.698 -28.715 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.277 -8.981 -26.366 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.757 -8.737 -26.430 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.708 -9.619 -26.849 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.457 -7.537 -26.069 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.951 -9.047 -26.776 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.826 -7.769 -26.300 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.059 -6.291 -25.575 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.797 -6.804 -26.055 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.025 -5.334 -25.332 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.380 -5.595 -25.572 1.00 0.00 C ATOM 0 H TRP A 68 -0.886 -9.502 -26.732 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.060 -9.200 -28.485 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.099 -10.023 -26.102 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.850 -8.372 -25.569 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.510 -10.625 -27.190 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.828 -9.500 -27.034 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.016 -6.081 -25.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.842 -7.003 -26.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.730 -4.368 -24.950 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.110 -4.825 -25.371 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.666 -6.433 -27.388 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.606 -4.989 -27.567 1.00 0.00 C ATOM 1105 C VAL A 69 -1.296 -4.671 -29.024 1.00 0.00 C ATOM 1106 O VAL A 69 -1.855 -3.741 -29.608 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.527 -4.343 -26.660 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.485 -2.833 -26.853 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.780 -4.681 -25.203 1.00 0.00 C ATOM 0 H VAL A 69 -0.933 -6.814 -26.789 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.575 -4.576 -27.286 1.00 0.00 H new ATOM 0 HB VAL A 69 0.442 -4.751 -26.949 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.280 -2.405 -26.205 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.249 -2.605 -27.893 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.456 -2.407 -26.599 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.012 -4.218 -24.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.760 -4.306 -24.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.751 -5.762 -25.070 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.418 -5.474 -29.611 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.034 -5.314 -31.002 1.00 0.00 C ATOM 1121 C GLN A 70 -1.203 -5.662 -31.914 1.00 0.00 C ATOM 1122 O GLN A 70 -1.431 -5.006 -32.927 1.00 0.00 O ATOM 1123 CB GLN A 70 1.175 -6.188 -31.321 1.00 0.00 C ATOM 1124 CG GLN A 70 2.399 -5.850 -30.487 1.00 0.00 C ATOM 1125 CD GLN A 70 3.576 -6.749 -30.784 1.00 0.00 C ATOM 1126 OE1 GLN A 70 3.734 -7.237 -31.899 1.00 0.00 O ATOM 1127 NE2 GLN A 70 4.409 -6.973 -29.786 1.00 0.00 N ATOM 0 H GLN A 70 0.044 -6.250 -29.137 1.00 0.00 H new ATOM 0 HA GLN A 70 0.240 -4.273 -31.173 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.911 -7.233 -31.159 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.423 -6.081 -32.377 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.683 -4.814 -30.671 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.146 -5.928 -29.430 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.240 -6.547 -28.875 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.223 -7.572 -29.925 1.00 0.00 H new ATOM 1136 N LEU A 71 -1.952 -6.696 -31.537 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.132 -7.103 -32.287 1.00 0.00 C ATOM 1138 C LEU A 71 -4.188 -6.010 -32.235 1.00 0.00 C ATOM 1139 O LEU A 71 -4.859 -5.736 -33.227 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.700 -8.411 -31.730 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.888 -9.673 -32.015 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.443 -10.849 -31.225 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -2.906 -9.984 -33.502 1.00 0.00 C ATOM 0 H LEU A 71 -1.760 -7.267 -30.714 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.842 -7.267 -33.325 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.804 -8.307 -30.650 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.702 -8.550 -32.135 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.857 -9.501 -31.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.854 -11.741 -31.438 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.393 -10.627 -30.159 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.480 -11.022 -31.511 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.324 -10.886 -33.692 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.934 -10.140 -33.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.473 -9.149 -34.054 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.318 -5.384 -31.069 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.251 -4.277 -30.891 1.00 0.00 C ATOM 1157 C PHE A 72 -4.874 -3.129 -31.819 1.00 0.00 C ATOM 1158 O PHE A 72 -5.739 -2.482 -32.415 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.264 -3.796 -29.431 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.175 -2.617 -29.195 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.530 -2.804 -28.977 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.673 -1.321 -29.198 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.368 -1.724 -28.769 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.506 -0.239 -28.989 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.855 -0.441 -28.775 1.00 0.00 C ATOM 0 H PHE A 72 -3.788 -5.625 -30.232 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.253 -4.627 -31.140 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.574 -4.620 -28.788 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.250 -3.526 -29.136 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.937 -3.805 -28.969 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.619 -1.158 -29.366 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.423 -1.883 -28.602 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.103 0.763 -28.993 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.509 0.403 -28.612 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.574 -2.897 -31.950 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.062 -1.854 -32.822 1.00 0.00 C ATOM 1177 C GLN A 73 -3.421 -2.151 -34.271 1.00 0.00 C ATOM 1178 O GLN A 73 -3.871 -1.272 -34.994 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.547 -1.719 -32.665 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.119 -1.142 -31.327 1.00 0.00 C ATOM 1181 CD GLN A 73 0.384 -1.178 -31.121 1.00 0.00 C ATOM 1182 OE1 GLN A 73 0.801 -1.270 -29.875 1.00 0.00 O flip ATOM 1183 NE2 GLN A 73 1.163 -1.119 -32.079 1.00 0.00 N flip ATOM 0 H GLN A 73 -2.852 -3.423 -31.458 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.523 -0.909 -32.537 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.089 -2.700 -32.790 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.163 -1.084 -33.464 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.466 -0.111 -31.254 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.604 -1.699 -30.525 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.799 -1.048 -33.029 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.170 -1.141 -31.919 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.258 -3.411 -34.674 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.575 -3.829 -36.039 1.00 0.00 C ATOM 1194 C ARG A 74 -5.072 -3.740 -36.271 1.00 0.00 C ATOM 1195 O ARG A 74 -5.527 -3.383 -37.354 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.113 -5.264 -36.283 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.636 -5.491 -36.046 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.267 -6.943 -36.269 1.00 0.00 C ATOM 1199 NE ARG A 74 0.135 -7.201 -35.960 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.703 -8.405 -35.981 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.015 -9.479 -36.313 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.990 -8.532 -35.670 1.00 0.00 N ATOM 0 H ARG A 74 -2.909 -4.159 -34.075 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.055 -3.166 -36.730 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.680 -5.931 -35.634 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.351 -5.540 -37.310 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.055 -4.857 -36.716 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.378 -5.199 -35.028 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.899 -7.578 -35.647 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.466 -7.213 -37.306 1.00 0.00 H new ATOM 0 HE ARG A 74 0.721 -6.404 -35.711 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.002 -9.379 -36.552 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.423 -10.400 -36.328 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.537 -7.709 -35.417 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.430 -9.452 -35.685 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.828 -4.079 -35.236 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.275 -4.013 -35.287 1.00 0.00 C ATOM 1218 C PHE A 75 -7.711 -2.590 -35.593 1.00 0.00 C ATOM 1219 O PHE A 75 -8.538 -2.362 -36.471 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.879 -4.493 -33.961 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.384 -4.500 -33.933 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.097 -5.482 -34.603 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.085 -3.531 -33.231 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.478 -5.497 -34.575 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.466 -3.541 -33.201 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.163 -4.526 -33.874 1.00 0.00 C ATOM 0 H PHE A 75 -5.455 -4.405 -34.344 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.636 -4.669 -36.079 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.519 -5.501 -33.755 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.515 -3.854 -33.157 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.566 -6.245 -35.154 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.545 -2.760 -32.702 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.021 -6.268 -35.101 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.000 -2.780 -32.652 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.243 -4.536 -33.851 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.137 -1.631 -34.876 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.447 -0.238 -35.136 1.00 0.00 C ATOM 1238 C ARG A 76 -6.963 0.180 -36.520 1.00 0.00 C ATOM 1239 O ARG A 76 -7.647 0.931 -37.214 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.885 0.720 -34.096 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.398 2.131 -34.339 1.00 0.00 C ATOM 1242 CD ARG A 76 -6.465 3.201 -33.838 1.00 0.00 C ATOM 1243 NE ARG A 76 -6.651 4.438 -34.606 1.00 0.00 N ATOM 1244 CZ ARG A 76 -6.599 5.662 -34.097 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -6.335 5.846 -32.806 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -6.804 6.705 -34.887 1.00 0.00 N ATOM 0 H ARG A 76 -6.467 -1.791 -34.124 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.534 -0.170 -35.082 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.170 0.390 -33.097 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.796 0.711 -34.136 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.560 2.272 -35.408 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.366 2.246 -33.852 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.651 3.390 -32.781 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.432 2.863 -33.925 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.834 4.350 -35.606 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.171 5.043 -32.199 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.297 6.791 -32.423 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.000 6.563 -35.878 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.766 7.650 -34.504 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.804 -0.346 -36.944 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.235 0.025 -38.238 1.00 0.00 C ATOM 1262 C GLU A 77 -6.188 -0.371 -39.336 1.00 0.00 C ATOM 1263 O GLU A 77 -6.359 0.345 -40.319 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.887 -0.662 -38.485 1.00 0.00 C ATOM 1265 CG GLU A 77 -2.741 -0.163 -37.627 1.00 0.00 C ATOM 1266 CD GLU A 77 -1.408 -0.704 -38.101 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.821 -0.104 -39.031 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -0.940 -1.731 -37.560 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.252 -1.021 -36.414 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.076 1.103 -38.233 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.007 -1.732 -38.317 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.618 -0.532 -39.533 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.719 0.927 -37.647 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.906 -0.459 -36.591 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.835 -1.502 -39.143 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.783 -2.009 -40.094 1.00 0.00 C ATOM 1277 C ALA A 78 -9.029 -1.138 -40.113 1.00 0.00 C ATOM 1278 O ALA A 78 -9.672 -0.994 -41.146 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.128 -3.457 -39.788 1.00 0.00 C ATOM 0 H ALA A 78 -6.713 -2.091 -38.319 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.333 -1.978 -41.086 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.848 -3.822 -40.520 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.224 -4.064 -39.834 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.560 -3.525 -38.790 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.362 -0.532 -38.969 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.532 0.327 -38.881 1.00 0.00 C ATOM 1287 C ILE A 79 -10.235 1.627 -39.604 1.00 0.00 C ATOM 1288 O ILE A 79 -11.075 2.159 -40.336 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.905 0.647 -37.405 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.257 -0.634 -36.648 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.066 1.639 -37.344 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -11.571 -0.416 -35.184 1.00 0.00 C ATOM 0 H ILE A 79 -8.837 -0.624 -38.099 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.373 -0.195 -39.336 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.038 1.103 -36.927 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.116 -1.103 -37.128 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.425 -1.333 -36.731 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.311 1.849 -36.303 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.780 2.565 -37.843 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.936 1.212 -37.842 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.811 -1.371 -34.717 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.706 0.023 -34.688 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.423 0.257 -35.091 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.004 2.114 -39.415 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.556 3.352 -40.036 1.00 0.00 C ATOM 1306 C ASP A 80 -8.447 3.165 -41.546 1.00 0.00 C ATOM 1307 O ASP A 80 -8.697 4.090 -42.318 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.186 3.806 -39.470 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.211 4.220 -37.993 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.873 5.222 -37.649 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.536 3.567 -37.183 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.300 1.661 -38.832 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.291 4.125 -39.811 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.469 2.994 -39.594 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.823 4.645 -40.063 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.075 1.951 -41.960 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.930 1.624 -43.380 1.00 0.00 C ATOM 1318 C LYS A 81 -9.251 1.180 -43.998 1.00 0.00 C ATOM 1319 O LYS A 81 -9.339 0.988 -45.208 1.00 0.00 O ATOM 1320 CB LYS A 81 -6.880 0.523 -43.586 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.464 0.923 -43.204 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.016 2.155 -43.960 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.552 2.468 -43.701 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.266 2.665 -42.257 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.868 1.176 -41.329 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.603 2.536 -43.880 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.168 -0.350 -43.000 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.889 0.221 -44.633 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.415 1.114 -42.132 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.782 0.098 -43.412 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.173 2.004 -45.028 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.629 3.007 -43.665 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.935 1.655 -44.084 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.272 3.367 -44.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.291 3.008 -42.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.928 3.364 -41.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.378 1.761 -41.755 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.278 1.031 -43.175 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.566 0.586 -43.678 1.00 0.00 C ATOM 1340 C GLY A 82 -11.569 -0.866 -44.123 1.00 0.00 C ATOM 1341 O GLY A 82 -12.354 -1.253 -44.990 1.00 0.00 O ATOM 0 H GLY A 82 -10.246 1.209 -42.171 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.318 0.722 -42.901 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.858 1.217 -44.518 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.708 -1.670 -43.533 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.611 -3.076 -43.886 1.00 0.00 C ATOM 1347 C ASP A 83 -11.531 -3.888 -42.991 1.00 0.00 C ATOM 1348 O ASP A 83 -11.179 -4.227 -41.863 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.170 -3.568 -43.748 1.00 0.00 C ATOM 1350 CG ASP A 83 -8.942 -4.927 -44.387 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -8.132 -5.007 -45.329 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.558 -5.914 -43.944 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.061 -1.374 -42.802 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.915 -3.201 -44.925 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.499 -2.841 -44.205 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.910 -3.622 -42.691 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.713 -4.181 -43.497 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.727 -4.893 -42.726 1.00 0.00 C ATOM 1359 C LYS A 84 -13.355 -6.362 -42.548 1.00 0.00 C ATOM 1360 O LYS A 84 -13.659 -6.973 -41.519 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.091 -4.786 -43.409 1.00 0.00 C ATOM 1362 CG LYS A 84 -15.114 -5.365 -44.810 1.00 0.00 C ATOM 1363 CD LYS A 84 -16.516 -5.417 -45.371 1.00 0.00 C ATOM 1364 CE LYS A 84 -16.522 -6.017 -46.764 1.00 0.00 C ATOM 1365 NZ LYS A 84 -15.987 -7.407 -46.785 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.001 -3.937 -44.445 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.781 -4.429 -41.741 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.835 -5.300 -42.800 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.385 -3.737 -43.453 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.483 -4.762 -45.463 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.690 -6.369 -44.796 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.153 -6.009 -44.714 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.937 -4.412 -45.402 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.540 -6.016 -47.153 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.927 -5.391 -47.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.443 -7.943 -47.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.960 -7.381 -46.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.185 -7.869 -45.874 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.692 -6.913 -43.552 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.317 -8.320 -43.562 1.00 0.00 C ATOM 1381 C ASP A 85 -11.367 -8.657 -42.431 1.00 0.00 C ATOM 1382 O ASP A 85 -11.590 -9.621 -41.690 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.701 -8.703 -44.908 1.00 0.00 C ATOM 1384 CG ASP A 85 -12.730 -8.790 -46.017 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.342 -7.758 -46.359 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -12.931 -9.898 -46.560 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.398 -6.399 -44.383 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.227 -8.901 -43.412 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.942 -7.968 -45.178 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.195 -9.663 -44.811 1.00 0.00 H new ATOM 1391 N SER A 86 -10.316 -7.870 -42.287 1.00 0.00 N ATOM 1392 CA SER A 86 -9.333 -8.087 -41.245 1.00 0.00 C ATOM 1393 C SER A 86 -9.926 -7.879 -39.859 1.00 0.00 C ATOM 1394 O SER A 86 -9.514 -8.529 -38.910 1.00 0.00 O ATOM 1395 CB SER A 86 -8.132 -7.171 -41.456 1.00 0.00 C ATOM 1396 OG SER A 86 -7.616 -7.324 -42.768 1.00 0.00 O ATOM 0 H SER A 86 -10.122 -7.068 -42.886 1.00 0.00 H new ATOM 0 HA SER A 86 -9.005 -9.125 -41.307 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.425 -6.134 -41.293 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.357 -7.403 -40.725 1.00 0.00 H new ATOM 0 HG SER A 86 -8.282 -7.020 -43.419 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.912 -6.990 -39.751 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.524 -6.690 -38.457 1.00 0.00 C ATOM 1404 C LEU A 87 -12.120 -7.937 -37.835 1.00 0.00 C ATOM 1405 O LEU A 87 -11.889 -8.223 -36.665 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.614 -5.624 -38.604 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.137 -4.234 -39.003 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.313 -3.278 -39.124 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.133 -3.715 -37.996 1.00 0.00 C ATOM 0 H LEU A 87 -11.302 -6.469 -40.536 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.738 -6.310 -37.804 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.333 -5.968 -39.348 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.148 -5.546 -37.657 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.651 -4.302 -39.976 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.951 -2.290 -39.410 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.004 -3.645 -39.883 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.829 -3.212 -38.166 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.800 -2.721 -38.293 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.599 -3.663 -37.012 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.276 -4.388 -37.957 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.871 -8.682 -38.622 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.486 -9.909 -38.148 1.00 0.00 C ATOM 1423 C GLU A 88 -12.429 -10.940 -37.753 1.00 0.00 C ATOM 1424 O GLU A 88 -12.564 -11.622 -36.734 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.403 -10.486 -39.217 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.415 -9.492 -39.755 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.317 -10.096 -40.799 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -15.815 -10.474 -41.881 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.534 -10.187 -40.553 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.071 -8.459 -39.597 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.075 -9.669 -37.263 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.796 -10.855 -40.043 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.934 -11.343 -38.803 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.020 -9.113 -38.932 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.889 -8.639 -40.183 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.373 -11.044 -38.554 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.307 -12.006 -38.291 1.00 0.00 C ATOM 1438 C GLN A 89 -9.507 -11.624 -37.045 1.00 0.00 C ATOM 1439 O GLN A 89 -9.261 -12.458 -36.170 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.370 -12.108 -39.503 1.00 0.00 C ATOM 1441 CG GLN A 89 -8.148 -12.982 -39.263 1.00 0.00 C ATOM 1442 CD GLN A 89 -8.509 -14.419 -38.938 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -9.506 -14.947 -39.426 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -7.719 -15.047 -38.094 1.00 0.00 N ATOM 0 H GLN A 89 -11.232 -10.475 -39.389 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.771 -12.976 -38.113 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.929 -12.506 -40.350 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.040 -11.107 -39.781 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.513 -12.963 -40.149 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.563 -12.564 -38.443 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.901 -14.573 -37.712 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.924 -16.008 -37.822 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.135 -10.357 -36.957 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.351 -9.867 -35.835 1.00 0.00 C ATOM 1455 C LEU A 90 -9.152 -9.928 -34.550 1.00 0.00 C ATOM 1456 O LEU A 90 -8.605 -10.181 -33.485 1.00 0.00 O ATOM 1457 CB LEU A 90 -7.866 -8.439 -36.098 1.00 0.00 C ATOM 1458 CG LEU A 90 -6.908 -8.272 -37.284 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.609 -6.805 -37.527 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.619 -9.046 -37.046 1.00 0.00 C ATOM 0 H LEU A 90 -9.365 -9.647 -37.652 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.479 -10.512 -35.724 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.736 -7.804 -36.265 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.371 -8.071 -35.199 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.392 -8.676 -38.173 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.928 -6.708 -38.372 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.537 -6.276 -37.746 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.147 -6.376 -36.638 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.953 -8.915 -37.899 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.132 -8.674 -36.145 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.848 -10.105 -36.924 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.456 -9.715 -34.662 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.337 -9.764 -33.510 1.00 0.00 C ATOM 1474 C LEU A 91 -11.334 -11.163 -32.903 1.00 0.00 C ATOM 1475 O LEU A 91 -11.258 -11.319 -31.684 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.757 -9.356 -33.906 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.774 -9.276 -32.768 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.346 -8.248 -31.730 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.148 -8.940 -33.316 1.00 0.00 C ATOM 0 H LEU A 91 -10.925 -9.506 -35.543 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.972 -9.060 -32.762 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.711 -8.383 -34.394 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.125 -10.067 -34.646 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.821 -10.249 -32.279 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.085 -8.209 -30.930 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.378 -8.530 -31.316 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.268 -7.268 -32.200 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.864 -8.886 -32.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.110 -7.979 -33.829 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.459 -9.714 -34.018 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.386 -12.177 -33.766 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.364 -13.563 -33.317 1.00 0.00 C ATOM 1493 C GLU A 92 -10.055 -13.857 -32.593 1.00 0.00 C ATOM 1494 O GLU A 92 -10.046 -14.473 -31.524 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.524 -14.522 -34.504 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.596 -15.990 -34.099 1.00 0.00 C ATOM 1497 CD GLU A 92 -11.528 -16.935 -35.279 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -12.577 -17.192 -35.907 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -10.423 -17.434 -35.583 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.444 -12.062 -34.778 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.198 -13.714 -32.632 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.429 -14.260 -35.052 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.686 -14.383 -35.188 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.777 -16.213 -33.415 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.523 -16.165 -33.554 1.00 0.00 H new ATOM 1506 N GLU A 93 -8.951 -13.408 -33.175 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.642 -13.609 -32.580 1.00 0.00 C ATOM 1508 C GLU A 93 -7.514 -12.840 -31.263 1.00 0.00 C ATOM 1509 O GLU A 93 -6.897 -13.325 -30.313 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.535 -13.216 -33.564 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.454 -14.137 -34.778 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.372 -13.738 -35.764 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.190 -13.664 -35.362 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.694 -13.519 -36.951 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.939 -12.901 -34.060 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.529 -14.669 -32.354 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.705 -12.194 -33.902 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.577 -13.225 -33.045 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.269 -15.157 -34.440 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.417 -14.140 -35.288 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.125 -11.657 -31.203 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.110 -10.842 -29.992 1.00 0.00 C ATOM 1523 C LEU A 94 -8.839 -11.547 -28.856 1.00 0.00 C ATOM 1524 O LEU A 94 -8.325 -11.633 -27.739 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.762 -9.476 -30.242 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.927 -8.458 -31.020 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.763 -7.235 -31.355 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.707 -8.052 -30.213 1.00 0.00 C ATOM 0 H LEU A 94 -8.637 -11.242 -31.982 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.068 -10.693 -29.711 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.696 -9.636 -30.781 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.022 -9.040 -29.278 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.595 -8.920 -31.950 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.155 -6.519 -31.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.617 -7.533 -31.963 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.118 -6.773 -30.434 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.121 -7.327 -30.778 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.026 -7.605 -29.271 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.096 -8.932 -30.009 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.037 -12.048 -29.147 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.843 -12.741 -28.148 1.00 0.00 C ATOM 1542 C GLU A 95 -10.135 -13.983 -27.604 1.00 0.00 C ATOM 1543 O GLU A 95 -10.106 -14.205 -26.394 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.219 -13.118 -28.714 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.075 -11.921 -29.117 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.541 -12.275 -29.264 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.225 -12.411 -28.227 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.020 -12.425 -30.410 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.471 -11.986 -30.068 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.984 -12.048 -27.318 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.079 -13.760 -29.583 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.759 -13.703 -27.969 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.968 -11.135 -28.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.707 -11.517 -30.060 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.540 -14.773 -28.494 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.855 -16.006 -28.090 1.00 0.00 C ATOM 1557 C GLN A 96 -7.649 -15.700 -27.218 1.00 0.00 C ATOM 1558 O GLN A 96 -7.409 -16.367 -26.214 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.403 -16.789 -29.313 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.534 -17.292 -30.180 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.029 -17.890 -31.468 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -8.900 -17.067 -32.479 1.00 0.00 O flip ATOM 1563 NE2 GLN A 96 -8.751 -19.082 -31.546 1.00 0.00 N flip ATOM 0 H GLN A 96 -9.516 -14.586 -29.496 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.563 -16.604 -27.516 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.752 -16.156 -29.916 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.805 -17.640 -28.985 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.107 -18.040 -29.632 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.214 -16.470 -30.403 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.867 -19.687 -30.733 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.404 -19.468 -32.424 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.905 -14.681 -27.602 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.719 -14.291 -26.866 1.00 0.00 C ATOM 1574 C ALA A 97 -6.109 -13.772 -25.492 1.00 0.00 C ATOM 1575 O ALA A 97 -5.495 -14.126 -24.489 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.930 -13.246 -27.638 1.00 0.00 C ATOM 0 H ALA A 97 -7.102 -14.107 -28.422 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.080 -15.165 -26.738 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.043 -12.966 -27.069 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.628 -13.656 -28.602 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.552 -12.365 -27.798 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.163 -12.967 -25.455 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.652 -12.397 -24.211 1.00 0.00 C ATOM 1584 C LEU A 98 -8.102 -13.498 -23.252 1.00 0.00 C ATOM 1585 O LEU A 98 -7.749 -13.490 -22.064 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.803 -11.408 -24.507 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.466 -10.725 -23.298 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.950 -9.340 -23.683 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.639 -11.555 -22.784 1.00 0.00 C ATOM 0 H LEU A 98 -7.697 -12.694 -26.280 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.842 -11.851 -23.727 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.420 -10.630 -25.167 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.575 -11.943 -25.059 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.724 -10.641 -22.504 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.418 -8.865 -22.820 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.104 -8.738 -24.014 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.677 -9.420 -24.491 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.093 -11.053 -21.929 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.380 -11.666 -23.575 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.283 -12.539 -22.480 1.00 0.00 H new ATOM 1601 N GLN A 99 -8.874 -14.444 -23.770 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.357 -15.561 -22.972 1.00 0.00 C ATOM 1603 C GLN A 99 -8.209 -16.414 -22.436 1.00 0.00 C ATOM 1604 O GLN A 99 -8.288 -16.938 -21.321 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.326 -16.428 -23.778 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.640 -15.741 -24.120 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.416 -15.317 -22.887 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.322 -15.945 -21.828 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.199 -14.264 -23.017 1.00 0.00 N ATOM 0 H GLN A 99 -9.180 -14.459 -24.743 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.888 -15.139 -22.118 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.838 -16.735 -24.703 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.540 -17.336 -23.214 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.438 -14.865 -24.736 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.254 -16.416 -24.717 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.249 -13.772 -23.909 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.755 -13.941 -22.225 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.144 -16.552 -23.217 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.996 -17.340 -22.796 1.00 0.00 C ATOM 1620 C LYS A 100 -5.215 -16.640 -21.695 1.00 0.00 C ATOM 1621 O LYS A 100 -4.828 -17.265 -20.708 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.081 -17.640 -23.979 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.637 -18.676 -24.942 1.00 0.00 C ATOM 1624 CD LYS A 100 -4.648 -19.013 -26.058 1.00 0.00 C ATOM 1625 CE LYS A 100 -3.497 -19.907 -25.576 1.00 0.00 C ATOM 1626 NZ LYS A 100 -2.566 -19.211 -24.644 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.053 -16.130 -24.141 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.375 -18.281 -22.398 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.894 -16.715 -24.524 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.119 -17.988 -23.602 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.886 -19.584 -24.393 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.563 -18.304 -25.379 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.177 -19.514 -26.869 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.239 -18.089 -26.467 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.910 -20.784 -25.079 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.937 -20.265 -26.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.599 -19.563 -24.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.594 -18.187 -24.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.855 -19.396 -23.662 1.00 0.00 H new ATOM 1640 N ILE A 101 -4.998 -15.340 -21.865 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.252 -14.555 -20.891 1.00 0.00 C ATOM 1642 C ILE A 101 -4.947 -14.572 -19.532 1.00 0.00 C ATOM 1643 O ILE A 101 -4.303 -14.791 -18.509 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.058 -13.092 -21.360 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.253 -13.059 -22.660 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.354 -12.272 -20.280 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.166 -11.688 -23.288 1.00 0.00 C ATOM 0 H ILE A 101 -5.329 -14.808 -22.670 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.269 -15.016 -20.796 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.039 -12.652 -21.542 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.245 -13.422 -22.461 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.705 -13.748 -23.374 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.226 -11.247 -20.627 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.955 -12.275 -19.371 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.377 -12.708 -20.070 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.580 -11.745 -24.205 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.169 -11.330 -23.520 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.686 -10.999 -22.593 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.266 -14.358 -19.523 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.030 -14.383 -18.274 1.00 0.00 C ATOM 1661 C ARG A 102 -6.904 -15.724 -17.571 1.00 0.00 C ATOM 1662 O ARG A 102 -6.728 -15.779 -16.356 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.509 -14.090 -18.522 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.817 -12.648 -18.870 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.308 -12.375 -18.749 1.00 0.00 C ATOM 1666 NE ARG A 102 -10.810 -12.744 -17.425 1.00 0.00 N ATOM 1667 CZ ARG A 102 -11.161 -11.882 -16.460 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -11.104 -10.572 -16.663 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -11.574 -12.342 -15.289 1.00 0.00 N ATOM 0 H ARG A 102 -6.821 -14.168 -20.357 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.611 -13.605 -17.636 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.861 -14.729 -19.332 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.074 -14.364 -17.631 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.265 -11.982 -18.207 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.484 -12.434 -19.886 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.503 -11.318 -18.933 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.846 -12.936 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.900 -13.739 -17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.790 -10.209 -17.563 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.374 -9.928 -15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.624 -13.347 -15.125 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.842 -11.691 -14.551 1.00 0.00 H new ATOM 1683 N GLU A 103 -6.986 -16.799 -18.342 1.00 0.00 N ATOM 1684 CA GLU A 103 -6.905 -18.141 -17.790 1.00 0.00 C ATOM 1685 C GLU A 103 -5.553 -18.345 -17.119 1.00 0.00 C ATOM 1686 O GLU A 103 -5.478 -18.838 -15.987 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.137 -19.176 -18.912 1.00 0.00 C ATOM 1688 CG GLU A 103 -7.359 -20.615 -18.440 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.071 -21.376 -18.179 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -5.451 -21.855 -19.154 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -5.693 -21.528 -17.001 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.109 -16.766 -19.354 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.679 -18.276 -17.034 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.003 -18.865 -19.497 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.277 -19.160 -19.582 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.954 -20.601 -17.527 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.941 -21.149 -19.191 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.491 -17.935 -17.806 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.139 -18.056 -17.286 1.00 0.00 C ATOM 1700 C LEU A 104 -2.939 -17.172 -16.064 1.00 0.00 C ATOM 1701 O LEU A 104 -2.351 -17.589 -15.085 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.130 -17.638 -18.362 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.115 -18.474 -19.640 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.065 -17.947 -20.606 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -1.868 -19.935 -19.324 1.00 0.00 C ATOM 0 H LEU A 104 -4.546 -17.513 -18.733 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.983 -19.097 -17.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.330 -16.602 -18.634 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.132 -17.666 -17.924 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.092 -18.392 -20.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.067 -18.553 -21.512 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.293 -16.912 -20.862 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.082 -17.997 -20.138 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.862 -20.511 -20.249 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.906 -20.041 -18.823 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.659 -20.305 -18.672 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.450 -15.953 -16.137 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.263 -14.961 -15.083 1.00 0.00 C ATOM 1719 C ALA A 105 -3.943 -15.349 -13.775 1.00 0.00 C ATOM 1720 O ALA A 105 -3.503 -14.944 -12.702 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.761 -13.609 -15.549 1.00 0.00 C ATOM 0 H ALA A 105 -4.005 -15.621 -16.926 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.193 -14.912 -14.879 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.617 -12.875 -14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.204 -13.301 -16.434 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.821 -13.676 -15.793 1.00 0.00 H new