USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=11 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 9 THR OG1 : rot -83:sc= 1.73 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 0.935 K(o=2.7,f=-4.5!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 GLN : amide:sc= -0.394 K(o=-0.39,f=-2) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0589 (180deg=-0.308) USER MOD Single : A 8 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.4) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0218 F(o=-1.2!,f=-0.022) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.01 K(o=1,f=-0.74) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc=-0.00158 (180deg=-0.087) USER MOD Single : A 48 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.855 K(o=-0.85,f=-5.3!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 70 GLN : amide:sc= -0.0948 K(o=-0.095,f=-0.76) USER MOD Single : A 73 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.83) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.827) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0.97 (180deg=0.94) USER MOD Single : A 86 SER OG : rot -77:sc= 0.692 USER MOD Single : A 89 GLN : amide:sc= -0.0724 K(o=-0.072,f=-0.68) USER MOD Single : A 96 GLN : amide:sc= -0.0272 K(o=-0.027,f=-0.95) USER MOD Single : A 99 GLN : amide:sc= 0.693 K(o=0.69,f=-9.7!) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0608 (180deg=-0.308) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -5.146 -5.832 -8.102 1.00 0.00 N ATOM 65 CA LYS A 5 -5.074 -4.636 -8.941 1.00 0.00 C ATOM 66 C LYS A 5 -4.728 -5.023 -10.369 1.00 0.00 C ATOM 67 O LYS A 5 -5.095 -4.336 -11.327 1.00 0.00 O ATOM 68 CB LYS A 5 -4.038 -3.649 -8.399 1.00 0.00 C ATOM 69 CG LYS A 5 -4.433 -2.997 -7.087 1.00 0.00 C ATOM 70 CD LYS A 5 -3.366 -2.026 -6.609 1.00 0.00 C ATOM 71 CE LYS A 5 -3.803 -1.289 -5.351 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.013 -0.462 -5.583 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -6.049 -4.149 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.091 -4.171 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.869 -2.871 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.379 -2.469 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.594 -3.765 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.442 -2.569 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.150 -1.305 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.004 -2.011 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.990 -0.652 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.130 0.210 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.909 0.063 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.849 -1.078 -5.640 1.00 0.00 H new ATOM 86 N LEU A 6 -4.049 -6.148 -10.502 1.00 0.00 N ATOM 87 CA LEU A 6 -3.636 -6.637 -11.795 1.00 0.00 C ATOM 88 C LEU A 6 -4.843 -7.257 -12.477 1.00 0.00 C ATOM 89 O LEU A 6 -5.109 -7.008 -13.653 1.00 0.00 O ATOM 90 CB LEU A 6 -2.504 -7.666 -11.643 1.00 0.00 C ATOM 91 CG LEU A 6 -1.846 -8.147 -12.941 1.00 0.00 C ATOM 92 CD1 LEU A 6 -1.183 -6.990 -13.668 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.829 -9.234 -12.646 1.00 0.00 C ATOM 0 H LEU A 6 -3.772 -6.741 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.253 -5.816 -12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.731 -7.233 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.900 -8.535 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.622 -8.559 -13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.722 -7.354 -14.586 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.932 -6.236 -13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.419 -6.549 -13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.370 -9.565 -13.578 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.059 -8.841 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.326 -10.077 -12.166 1.00 0.00 H new ATOM 105 N ARG A 7 -5.573 -8.070 -11.719 1.00 0.00 N ATOM 106 CA ARG A 7 -6.807 -8.668 -12.202 1.00 0.00 C ATOM 107 C ARG A 7 -7.893 -7.614 -12.407 1.00 0.00 C ATOM 108 O ARG A 7 -8.658 -7.694 -13.355 1.00 0.00 O ATOM 109 CB ARG A 7 -7.294 -9.773 -11.251 1.00 0.00 C ATOM 110 CG ARG A 7 -8.607 -10.411 -11.685 1.00 0.00 C ATOM 111 CD ARG A 7 -8.872 -11.721 -10.959 1.00 0.00 C ATOM 112 NE ARG A 7 -8.988 -11.560 -9.505 1.00 0.00 N ATOM 113 CZ ARG A 7 -9.267 -12.564 -8.665 1.00 0.00 C ATOM 114 NH1 ARG A 7 -9.510 -13.787 -9.136 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -9.313 -12.345 -7.357 1.00 0.00 N ATOM 0 H ARG A 7 -5.327 -8.329 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.595 -9.122 -13.170 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.529 -10.546 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.415 -9.355 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.427 -9.719 -11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.585 -10.590 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.791 -12.163 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.065 -12.420 -11.178 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.848 -10.629 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.484 -13.961 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.722 -14.549 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.136 -11.410 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.526 -13.112 -6.719 1.00 0.00 H new ATOM 129 N GLN A 8 -7.938 -6.626 -11.525 1.00 0.00 N ATOM 130 CA GLN A 8 -8.937 -5.564 -11.617 1.00 0.00 C ATOM 131 C GLN A 8 -8.766 -4.797 -12.924 1.00 0.00 C ATOM 132 O GLN A 8 -9.732 -4.588 -13.647 1.00 0.00 O ATOM 133 CB GLN A 8 -8.811 -4.621 -10.401 1.00 0.00 C ATOM 134 CG GLN A 8 -10.033 -3.744 -10.128 1.00 0.00 C ATOM 135 CD GLN A 8 -10.138 -2.542 -11.046 1.00 0.00 C ATOM 136 OE1 GLN A 8 -9.134 -2.008 -11.514 1.00 0.00 O ATOM 137 NE2 GLN A 8 -11.353 -2.100 -11.294 1.00 0.00 N ATOM 0 H GLN A 8 -7.296 -6.535 -10.737 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.934 -6.004 -11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.610 -5.222 -9.514 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.946 -3.975 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.934 -4.349 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.998 -3.399 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.160 -2.571 -10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.487 -1.286 -11.894 1.00 0.00 H new ATOM 146 N THR A 9 -7.532 -4.412 -13.249 1.00 0.00 N ATOM 147 CA THR A 9 -7.261 -3.754 -14.521 1.00 0.00 C ATOM 148 C THR A 9 -7.522 -4.697 -15.699 1.00 0.00 C ATOM 149 O THR A 9 -7.778 -4.254 -16.820 1.00 0.00 O ATOM 150 CB THR A 9 -5.813 -3.227 -14.583 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.898 -4.249 -14.160 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.646 -2.004 -13.697 1.00 0.00 C ATOM 0 H THR A 9 -6.714 -4.544 -12.654 1.00 0.00 H new ATOM 0 HA THR A 9 -7.942 -2.906 -14.595 1.00 0.00 H new ATOM 0 HB THR A 9 -5.598 -2.948 -15.614 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.849 -4.260 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.617 -1.649 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.321 -1.217 -14.033 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.880 -2.267 -12.665 1.00 0.00 H new ATOM 160 N GLY A 10 -7.463 -5.995 -15.431 1.00 0.00 N ATOM 161 CA GLY A 10 -7.752 -6.973 -16.451 1.00 0.00 C ATOM 162 C GLY A 10 -9.238 -7.048 -16.707 1.00 0.00 C ATOM 163 O GLY A 10 -9.680 -7.008 -17.852 1.00 0.00 O ATOM 0 H GLY A 10 -7.219 -6.385 -14.521 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.231 -6.711 -17.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.381 -7.950 -16.142 1.00 0.00 H new ATOM 167 N ASP A 11 -10.007 -7.159 -15.625 1.00 0.00 N ATOM 168 CA ASP A 11 -11.468 -7.168 -15.698 1.00 0.00 C ATOM 169 C ASP A 11 -11.977 -5.909 -16.378 1.00 0.00 C ATOM 170 O ASP A 11 -12.906 -5.961 -17.182 1.00 0.00 O ATOM 171 CB ASP A 11 -12.095 -7.294 -14.302 1.00 0.00 C ATOM 172 CG ASP A 11 -11.977 -8.688 -13.710 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.268 -9.673 -14.424 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.629 -8.804 -12.509 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.638 -7.245 -14.678 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.762 -8.036 -16.288 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.616 -6.581 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.148 -7.020 -14.359 1.00 0.00 H new ATOM 179 N GLU A 12 -11.358 -4.777 -16.056 1.00 0.00 N ATOM 180 CA GLU A 12 -11.712 -3.508 -16.680 1.00 0.00 C ATOM 181 C GLU A 12 -11.454 -3.574 -18.180 1.00 0.00 C ATOM 182 O GLU A 12 -12.273 -3.127 -18.980 1.00 0.00 O ATOM 183 CB GLU A 12 -10.918 -2.355 -16.066 1.00 0.00 C ATOM 184 CG GLU A 12 -11.239 -2.088 -14.609 1.00 0.00 C ATOM 185 CD GLU A 12 -12.676 -1.669 -14.389 1.00 0.00 C ATOM 186 OE1 GLU A 12 -13.532 -2.545 -14.199 1.00 0.00 O ATOM 187 OE2 GLU A 12 -12.949 -0.449 -14.400 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.609 -4.713 -15.367 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.772 -3.326 -16.504 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.854 -2.571 -16.158 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.110 -1.449 -16.641 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.035 -2.987 -14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.577 -1.308 -14.234 1.00 0.00 H new ATOM 194 N LEU A 13 -10.309 -4.135 -18.551 1.00 0.00 N ATOM 195 CA LEU A 13 -9.957 -4.306 -19.953 1.00 0.00 C ATOM 196 C LEU A 13 -10.983 -5.199 -20.659 1.00 0.00 C ATOM 197 O LEU A 13 -11.396 -4.912 -21.780 1.00 0.00 O ATOM 198 CB LEU A 13 -8.548 -4.899 -20.075 1.00 0.00 C ATOM 199 CG LEU A 13 -7.985 -5.024 -21.491 1.00 0.00 C ATOM 200 CD1 LEU A 13 -7.924 -3.662 -22.164 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.605 -5.661 -21.456 1.00 0.00 C ATOM 0 H LEU A 13 -9.607 -4.480 -17.896 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.966 -3.330 -20.438 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.866 -4.283 -19.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.553 -5.890 -19.620 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.649 -5.664 -22.072 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.521 -3.771 -23.171 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.927 -3.238 -22.219 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.281 -2.999 -21.586 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.217 -5.744 -22.471 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.934 -5.043 -20.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.674 -6.654 -21.012 1.00 0.00 H new ATOM 213 N VAL A 14 -11.397 -6.272 -19.990 1.00 0.00 N ATOM 214 CA VAL A 14 -12.435 -7.156 -20.521 1.00 0.00 C ATOM 215 C VAL A 14 -13.748 -6.382 -20.676 1.00 0.00 C ATOM 216 O VAL A 14 -14.442 -6.496 -21.686 1.00 0.00 O ATOM 217 CB VAL A 14 -12.667 -8.381 -19.597 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.781 -9.269 -20.136 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.382 -9.178 -19.435 1.00 0.00 C ATOM 0 H VAL A 14 -11.031 -6.552 -19.080 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.098 -7.519 -21.492 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.973 -8.012 -18.618 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.923 -10.120 -19.470 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.706 -8.696 -20.195 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.512 -9.627 -21.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.564 -10.033 -18.784 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.047 -9.530 -20.411 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.613 -8.543 -18.994 1.00 0.00 H new ATOM 229 N GLN A 15 -14.066 -5.592 -19.661 1.00 0.00 N ATOM 230 CA GLN A 15 -15.244 -4.753 -19.664 1.00 0.00 C ATOM 231 C GLN A 15 -15.219 -3.798 -20.865 1.00 0.00 C ATOM 232 O GLN A 15 -16.221 -3.639 -21.568 1.00 0.00 O ATOM 233 CB GLN A 15 -15.302 -3.960 -18.365 1.00 0.00 C ATOM 234 CG GLN A 15 -16.530 -3.101 -18.226 1.00 0.00 C ATOM 235 CD GLN A 15 -16.472 -2.189 -17.016 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.775 -2.613 -15.984 1.00 0.00 O flip ATOM 237 NE2 GLN A 15 -17.052 -1.104 -17.017 1.00 0.00 N flip ATOM 0 H GLN A 15 -13.508 -5.518 -18.810 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.130 -5.382 -19.745 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.260 -4.654 -17.526 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.418 -3.326 -18.299 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.650 -2.497 -19.126 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.409 -3.741 -18.152 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.583 -0.810 -17.837 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.002 -0.498 -16.198 1.00 0.00 H new ATOM 246 N ALA A 16 -14.068 -3.178 -21.096 1.00 0.00 N ATOM 247 CA ALA A 16 -13.894 -2.276 -22.229 1.00 0.00 C ATOM 248 C ALA A 16 -13.992 -3.038 -23.542 1.00 0.00 C ATOM 249 O ALA A 16 -14.519 -2.527 -24.525 1.00 0.00 O ATOM 250 CB ALA A 16 -12.564 -1.552 -22.133 1.00 0.00 C ATOM 0 H ALA A 16 -13.238 -3.284 -20.512 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.693 -1.535 -22.202 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.451 -0.883 -22.986 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.531 -0.972 -21.211 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.753 -2.280 -22.133 1.00 0.00 H new ATOM 256 N PHE A 17 -13.482 -4.265 -23.546 1.00 0.00 N ATOM 257 CA PHE A 17 -13.542 -5.118 -24.724 1.00 0.00 C ATOM 258 C PHE A 17 -14.996 -5.425 -25.075 1.00 0.00 C ATOM 259 O PHE A 17 -15.374 -5.445 -26.247 1.00 0.00 O ATOM 260 CB PHE A 17 -12.757 -6.417 -24.497 1.00 0.00 C ATOM 261 CG PHE A 17 -12.690 -7.305 -25.709 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.832 -7.006 -26.755 1.00 0.00 C ATOM 263 CD2 PHE A 17 -13.485 -8.438 -25.803 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.767 -7.817 -27.870 1.00 0.00 C ATOM 265 CE2 PHE A 17 -13.425 -9.253 -26.917 1.00 0.00 C ATOM 266 CZ PHE A 17 -12.565 -8.941 -27.952 1.00 0.00 C ATOM 0 H PHE A 17 -13.021 -4.691 -22.742 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.083 -4.588 -25.559 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.743 -6.168 -24.184 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.217 -6.970 -23.678 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.206 -6.128 -26.697 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.159 -8.686 -24.996 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.093 -7.573 -28.677 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.049 -10.132 -26.978 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.517 -9.576 -28.825 1.00 0.00 H new ATOM 276 N GLN A 18 -15.810 -5.650 -24.048 1.00 0.00 N ATOM 277 CA GLN A 18 -17.226 -5.908 -24.239 1.00 0.00 C ATOM 278 C GLN A 18 -17.894 -4.673 -24.827 1.00 0.00 C ATOM 279 O GLN A 18 -18.683 -4.764 -25.767 1.00 0.00 O ATOM 280 CB GLN A 18 -17.891 -6.272 -22.913 1.00 0.00 C ATOM 281 CG GLN A 18 -19.377 -6.564 -23.042 1.00 0.00 C ATOM 282 CD GLN A 18 -20.063 -6.780 -21.707 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.581 -6.119 -20.672 1.00 0.00 O flip ATOM 284 NE2 GLN A 18 -21.033 -7.527 -21.612 1.00 0.00 N flip ATOM 0 H GLN A 18 -15.508 -5.658 -23.074 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.339 -6.748 -24.925 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.392 -7.145 -22.493 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.749 -5.453 -22.207 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.859 -5.736 -23.561 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.514 -7.451 -23.661 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.378 -8.022 -22.434 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.494 -7.652 -20.711 1.00 0.00 H new ATOM 293 N ARG A 19 -17.542 -3.512 -24.279 1.00 0.00 N ATOM 294 CA ARG A 19 -18.066 -2.231 -24.730 1.00 0.00 C ATOM 295 C ARG A 19 -17.653 -1.984 -26.179 1.00 0.00 C ATOM 296 O ARG A 19 -18.412 -1.425 -26.974 1.00 0.00 O ATOM 297 CB ARG A 19 -17.506 -1.133 -23.811 1.00 0.00 C ATOM 298 CG ARG A 19 -17.952 0.285 -24.123 1.00 0.00 C ATOM 299 CD ARG A 19 -17.325 1.263 -23.134 1.00 0.00 C ATOM 300 NE ARG A 19 -17.677 2.653 -23.413 1.00 0.00 N ATOM 301 CZ ARG A 19 -17.090 3.714 -22.839 1.00 0.00 C ATOM 302 NH1 ARG A 19 -16.121 3.545 -21.936 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -17.476 4.939 -23.161 1.00 0.00 N ATOM 0 H ARG A 19 -16.881 -3.436 -23.506 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.155 -2.227 -24.685 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.791 -1.365 -22.785 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.418 -1.169 -23.856 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.663 0.550 -25.140 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -19.039 0.352 -24.073 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.646 1.007 -22.124 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.241 1.155 -23.161 1.00 0.00 H new ATOM 0 HE ARG A 19 -18.419 2.829 -24.090 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.822 2.604 -21.678 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.679 4.357 -21.504 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.220 5.076 -23.845 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.030 5.746 -22.725 1.00 0.00 H new ATOM 317 N LEU A 20 -16.445 -2.425 -26.510 1.00 0.00 N ATOM 318 CA LEU A 20 -15.907 -2.309 -27.857 1.00 0.00 C ATOM 319 C LEU A 20 -16.768 -3.088 -28.836 1.00 0.00 C ATOM 320 O LEU A 20 -17.044 -2.624 -29.940 1.00 0.00 O ATOM 321 CB LEU A 20 -14.474 -2.851 -27.894 1.00 0.00 C ATOM 322 CG LEU A 20 -13.766 -2.787 -29.249 1.00 0.00 C ATOM 323 CD1 LEU A 20 -13.448 -1.351 -29.622 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.501 -3.633 -29.232 1.00 0.00 C ATOM 0 H LEU A 20 -15.811 -2.874 -25.849 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.905 -1.257 -28.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.878 -2.296 -27.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.491 -3.890 -27.564 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.438 -3.192 -30.006 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.945 -1.329 -30.589 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.373 -0.777 -29.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.797 -0.914 -28.864 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.011 -3.575 -30.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.825 -3.261 -28.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.760 -4.670 -29.017 1.00 0.00 H new ATOM 336 N ARG A 21 -17.203 -4.270 -28.416 1.00 0.00 N ATOM 337 CA ARG A 21 -18.019 -5.121 -29.258 1.00 0.00 C ATOM 338 C ARG A 21 -19.371 -4.480 -29.531 1.00 0.00 C ATOM 339 O ARG A 21 -19.870 -4.527 -30.658 1.00 0.00 O ATOM 340 CB ARG A 21 -18.210 -6.507 -28.626 1.00 0.00 C ATOM 341 CG ARG A 21 -19.151 -7.406 -29.417 1.00 0.00 C ATOM 342 CD ARG A 21 -18.613 -7.678 -30.813 1.00 0.00 C ATOM 343 NE ARG A 21 -19.663 -8.111 -31.733 1.00 0.00 N ATOM 344 CZ ARG A 21 -19.597 -9.191 -32.505 1.00 0.00 C ATOM 345 NH1 ARG A 21 -18.570 -10.027 -32.403 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -20.571 -9.441 -33.371 1.00 0.00 N ATOM 0 H ARG A 21 -17.001 -4.657 -27.494 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.495 -5.245 -30.206 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.240 -6.996 -28.539 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.598 -6.387 -27.615 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.287 -8.349 -28.887 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -20.132 -6.936 -29.488 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.141 -6.775 -31.201 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.840 -8.444 -30.760 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.508 -7.543 -31.787 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.827 -9.842 -31.730 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.525 -10.854 -32.998 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.366 -8.806 -33.442 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.525 -10.268 -33.966 1.00 0.00 H new ATOM 360 N GLU A 22 -19.948 -3.863 -28.509 1.00 0.00 N ATOM 361 CA GLU A 22 -21.249 -3.231 -28.647 1.00 0.00 C ATOM 362 C GLU A 22 -21.176 -2.113 -29.677 1.00 0.00 C ATOM 363 O GLU A 22 -21.961 -2.078 -30.619 1.00 0.00 O ATOM 364 CB GLU A 22 -21.705 -2.670 -27.302 1.00 0.00 C ATOM 365 CG GLU A 22 -21.718 -3.696 -26.183 1.00 0.00 C ATOM 366 CD GLU A 22 -22.104 -3.097 -24.853 1.00 0.00 C ATOM 367 OE1 GLU A 22 -21.218 -2.562 -24.155 1.00 0.00 O ATOM 368 OE2 GLU A 22 -23.293 -3.159 -24.492 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.536 -3.788 -27.579 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.970 -3.977 -28.981 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.048 -1.847 -27.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.707 -2.254 -27.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.416 -4.494 -26.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.731 -4.151 -26.100 1.00 0.00 H new ATOM 375 N ILE A 23 -20.218 -1.211 -29.496 1.00 0.00 N ATOM 376 CA ILE A 23 -19.978 -0.121 -30.438 1.00 0.00 C ATOM 377 C ILE A 23 -19.692 -0.650 -31.847 1.00 0.00 C ATOM 378 O ILE A 23 -20.105 -0.049 -32.844 1.00 0.00 O ATOM 379 CB ILE A 23 -18.799 0.767 -29.973 1.00 0.00 C ATOM 380 CG1 ILE A 23 -19.080 1.353 -28.583 1.00 0.00 C ATOM 381 CG2 ILE A 23 -18.537 1.882 -30.972 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.377 2.126 -28.485 1.00 0.00 C ATOM 0 H ILE A 23 -19.587 -1.213 -28.695 1.00 0.00 H new ATOM 0 HA ILE A 23 -20.887 0.479 -30.468 1.00 0.00 H new ATOM 0 HB ILE A 23 -17.908 0.142 -29.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.098 0.541 -27.856 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.256 2.011 -28.305 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -17.704 2.494 -30.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -18.291 1.451 -31.942 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.428 2.503 -31.067 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.498 2.506 -27.471 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -20.357 2.961 -29.185 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.212 1.469 -28.729 1.00 0.00 H new ATOM 394 N PHE A 24 -18.999 -1.778 -31.915 1.00 0.00 N ATOM 395 CA PHE A 24 -18.645 -2.381 -33.192 1.00 0.00 C ATOM 396 C PHE A 24 -19.912 -2.818 -33.924 1.00 0.00 C ATOM 397 O PHE A 24 -20.096 -2.523 -35.106 1.00 0.00 O ATOM 398 CB PHE A 24 -17.709 -3.579 -32.979 1.00 0.00 C ATOM 399 CG PHE A 24 -17.208 -4.201 -34.254 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.135 -3.647 -34.931 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.806 -5.340 -34.771 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.669 -4.213 -36.100 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.344 -5.912 -35.942 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.273 -5.347 -36.607 1.00 0.00 C ATOM 0 H PHE A 24 -18.670 -2.295 -31.099 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.121 -1.643 -33.799 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -16.854 -3.257 -32.384 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.234 -4.338 -32.399 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.657 -2.761 -34.540 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.642 -5.786 -34.253 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.832 -3.769 -36.619 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.819 -6.798 -36.336 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.909 -5.791 -37.522 1.00 0.00 H new ATOM 414 N ASP A 25 -20.788 -3.511 -33.201 1.00 0.00 N ATOM 415 CA ASP A 25 -22.075 -3.949 -33.748 1.00 0.00 C ATOM 416 C ASP A 25 -22.965 -2.761 -34.095 1.00 0.00 C ATOM 417 O ASP A 25 -23.887 -2.880 -34.900 1.00 0.00 O ATOM 418 CB ASP A 25 -22.812 -4.872 -32.765 1.00 0.00 C ATOM 419 CG ASP A 25 -22.153 -6.227 -32.605 1.00 0.00 C ATOM 420 OD1 ASP A 25 -21.886 -6.896 -33.624 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.929 -6.651 -31.462 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.632 -3.784 -32.231 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.860 -4.504 -34.661 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.866 -4.385 -31.791 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.837 -5.013 -33.108 1.00 0.00 H new ATOM 426 N LYS A 26 -22.683 -1.615 -33.486 1.00 0.00 N ATOM 427 CA LYS A 26 -23.455 -0.403 -33.723 1.00 0.00 C ATOM 428 C LYS A 26 -22.888 0.386 -34.898 1.00 0.00 C ATOM 429 O LYS A 26 -23.513 1.339 -35.375 1.00 0.00 O ATOM 430 CB LYS A 26 -23.463 0.485 -32.470 1.00 0.00 C ATOM 431 CG LYS A 26 -24.196 -0.110 -31.277 1.00 0.00 C ATOM 432 CD LYS A 26 -25.685 -0.226 -31.540 1.00 0.00 C ATOM 433 CE LYS A 26 -26.420 -0.784 -30.333 1.00 0.00 C ATOM 434 NZ LYS A 26 -27.888 -0.823 -30.550 1.00 0.00 N1+ ATOM 0 H LYS A 26 -21.919 -1.501 -32.820 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.476 -0.703 -33.960 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -22.433 0.692 -32.181 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -23.921 1.441 -32.721 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.787 -1.095 -31.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.028 0.513 -30.398 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -26.089 0.755 -31.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.854 -0.872 -32.402 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.057 -1.790 -30.120 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.198 -0.173 -29.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.354 -1.210 -29.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.238 0.140 -30.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.102 -1.427 -31.369 1.00 0.00 H new ATOM 448 N GLY A 27 -21.709 -0.026 -35.373 1.00 0.00 N ATOM 449 CA GLY A 27 -21.041 0.677 -36.460 1.00 0.00 C ATOM 450 C GLY A 27 -20.791 2.149 -36.165 1.00 0.00 C ATOM 451 O GLY A 27 -20.744 2.965 -37.080 1.00 0.00 O ATOM 0 H GLY A 27 -21.204 -0.839 -35.021 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.089 0.189 -36.667 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.646 0.593 -37.363 1.00 0.00 H new ATOM 455 N ASP A 28 -20.637 2.497 -34.898 1.00 0.00 N ATOM 456 CA ASP A 28 -20.470 3.898 -34.536 1.00 0.00 C ATOM 457 C ASP A 28 -19.000 4.269 -34.394 1.00 0.00 C ATOM 458 O ASP A 28 -18.406 4.128 -33.323 1.00 0.00 O ATOM 459 CB ASP A 28 -21.228 4.231 -33.258 1.00 0.00 C ATOM 460 CG ASP A 28 -21.341 5.722 -33.043 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.381 6.292 -33.418 1.00 0.00 O ATOM 462 OD2 ASP A 28 -20.399 6.329 -32.515 1.00 0.00 O1- ATOM 0 H ASP A 28 -20.624 1.844 -34.115 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.889 4.491 -35.349 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -22.226 3.794 -33.303 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.720 3.779 -32.406 1.00 0.00 H new ATOM 467 N ASP A 29 -18.416 4.711 -35.498 1.00 0.00 N ATOM 468 CA ASP A 29 -17.002 5.115 -35.550 1.00 0.00 C ATOM 469 C ASP A 29 -16.666 6.201 -34.528 1.00 0.00 C ATOM 470 O ASP A 29 -15.555 6.237 -34.000 1.00 0.00 O ATOM 471 CB ASP A 29 -16.652 5.632 -36.948 1.00 0.00 C ATOM 472 CG ASP A 29 -16.894 4.613 -38.040 1.00 0.00 C ATOM 473 OD1 ASP A 29 -18.044 4.525 -38.527 1.00 0.00 O ATOM 474 OD2 ASP A 29 -15.941 3.917 -38.435 1.00 0.00 O1- ATOM 0 H ASP A 29 -18.903 4.803 -36.390 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.415 4.229 -35.310 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.242 6.525 -37.156 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.604 5.931 -36.965 1.00 0.00 H new ATOM 479 N ASP A 30 -17.624 7.071 -34.238 1.00 0.00 N ATOM 480 CA ASP A 30 -17.382 8.182 -33.316 1.00 0.00 C ATOM 481 C ASP A 30 -17.162 7.687 -31.898 1.00 0.00 C ATOM 482 O ASP A 30 -16.200 8.077 -31.238 1.00 0.00 O ATOM 483 CB ASP A 30 -18.530 9.192 -33.347 1.00 0.00 C ATOM 484 CG ASP A 30 -18.610 9.950 -34.650 1.00 0.00 C ATOM 485 OD1 ASP A 30 -17.782 10.865 -34.869 1.00 0.00 O ATOM 486 OD2 ASP A 30 -19.514 9.655 -35.459 1.00 0.00 O1- ATOM 0 H ASP A 30 -18.568 7.034 -34.621 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.473 8.682 -33.651 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.472 8.670 -33.178 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -18.407 9.900 -32.527 1.00 0.00 H new ATOM 491 N SER A 31 -18.038 6.814 -31.439 1.00 0.00 N ATOM 492 CA SER A 31 -17.933 6.263 -30.107 1.00 0.00 C ATOM 493 C SER A 31 -16.775 5.277 -30.042 1.00 0.00 C ATOM 494 O SER A 31 -16.140 5.115 -29.000 1.00 0.00 O ATOM 495 CB SER A 31 -19.245 5.587 -29.698 1.00 0.00 C ATOM 496 OG SER A 31 -19.248 5.256 -28.317 1.00 0.00 O ATOM 0 H SER A 31 -18.835 6.471 -31.975 1.00 0.00 H new ATOM 0 HA SER A 31 -17.740 7.075 -29.405 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.082 6.251 -29.917 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.391 4.684 -30.291 1.00 0.00 H new ATOM 0 HG SER A 31 -20.098 4.828 -28.085 1.00 0.00 H new ATOM 502 N LEU A 32 -16.501 4.627 -31.172 1.00 0.00 N ATOM 503 CA LEU A 32 -15.418 3.661 -31.270 1.00 0.00 C ATOM 504 C LEU A 32 -14.085 4.328 -30.952 1.00 0.00 C ATOM 505 O LEU A 32 -13.253 3.755 -30.254 1.00 0.00 O ATOM 506 CB LEU A 32 -15.392 3.071 -32.686 1.00 0.00 C ATOM 507 CG LEU A 32 -14.435 1.906 -32.921 1.00 0.00 C ATOM 508 CD1 LEU A 32 -14.835 0.708 -32.079 1.00 0.00 C ATOM 509 CD2 LEU A 32 -14.412 1.536 -34.396 1.00 0.00 C ATOM 0 H LEU A 32 -17.023 4.757 -32.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.582 2.861 -30.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.400 2.740 -32.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.136 3.869 -33.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.433 2.214 -32.622 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.141 -0.112 -32.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.808 0.980 -31.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.844 0.395 -32.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.726 0.704 -34.552 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.413 1.245 -34.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.081 2.394 -34.981 1.00 0.00 H new ATOM 521 N GLU A 33 -13.909 5.554 -31.437 1.00 0.00 N ATOM 522 CA GLU A 33 -12.699 6.326 -31.161 1.00 0.00 C ATOM 523 C GLU A 33 -12.540 6.535 -29.662 1.00 0.00 C ATOM 524 O GLU A 33 -11.438 6.441 -29.115 1.00 0.00 O ATOM 525 CB GLU A 33 -12.764 7.688 -31.858 1.00 0.00 C ATOM 526 CG GLU A 33 -12.487 7.644 -33.350 1.00 0.00 C ATOM 527 CD GLU A 33 -11.031 7.360 -33.667 1.00 0.00 C ATOM 528 OE1 GLU A 33 -10.201 7.307 -32.722 1.00 0.00 O ATOM 529 OE2 GLU A 33 -10.704 7.200 -34.860 1.00 0.00 O1- ATOM 0 H GLU A 33 -14.590 6.036 -32.024 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.843 5.769 -31.542 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.753 8.118 -31.697 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.045 8.358 -31.387 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.111 6.877 -33.809 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.773 8.596 -33.797 1.00 0.00 H new ATOM 536 N GLN A 34 -13.660 6.797 -29.008 1.00 0.00 N ATOM 537 CA GLN A 34 -13.695 7.049 -27.578 1.00 0.00 C ATOM 538 C GLN A 34 -13.381 5.779 -26.789 1.00 0.00 C ATOM 539 O GLN A 34 -12.578 5.799 -25.861 1.00 0.00 O ATOM 540 CB GLN A 34 -15.072 7.587 -27.188 1.00 0.00 C ATOM 541 CG GLN A 34 -15.520 8.769 -28.036 1.00 0.00 C ATOM 542 CD GLN A 34 -16.952 9.182 -27.769 1.00 0.00 C ATOM 543 OE1 GLN A 34 -17.793 8.357 -27.403 1.00 0.00 O ATOM 544 NE2 GLN A 34 -17.244 10.449 -27.968 1.00 0.00 N ATOM 0 H GLN A 34 -14.575 6.841 -29.457 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.933 7.790 -27.336 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.806 6.786 -27.277 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -15.054 7.887 -26.140 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.862 9.616 -27.844 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.412 8.514 -29.090 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.518 11.098 -28.271 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.197 10.782 -27.820 1.00 0.00 H new ATOM 553 N VAL A 35 -13.995 4.667 -27.185 1.00 0.00 N ATOM 554 CA VAL A 35 -13.793 3.390 -26.505 1.00 0.00 C ATOM 555 C VAL A 35 -12.358 2.896 -26.681 1.00 0.00 C ATOM 556 O VAL A 35 -11.782 2.299 -25.773 1.00 0.00 O ATOM 557 CB VAL A 35 -14.799 2.321 -27.010 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.509 0.957 -26.407 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.219 2.744 -26.682 1.00 0.00 C ATOM 0 H VAL A 35 -14.638 4.624 -27.975 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.972 3.552 -25.442 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.687 2.241 -28.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.232 0.232 -26.782 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.503 0.643 -26.685 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.584 1.016 -25.321 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.916 1.987 -27.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.326 2.854 -25.603 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.436 3.696 -27.167 1.00 0.00 H new ATOM 569 N LEU A 36 -11.779 3.162 -27.845 1.00 0.00 N ATOM 570 CA LEU A 36 -10.397 2.775 -28.116 1.00 0.00 C ATOM 571 C LEU A 36 -9.444 3.451 -27.133 1.00 0.00 C ATOM 572 O LEU A 36 -8.439 2.865 -26.730 1.00 0.00 O ATOM 573 CB LEU A 36 -10.007 3.109 -29.558 1.00 0.00 C ATOM 574 CG LEU A 36 -10.714 2.291 -30.642 1.00 0.00 C ATOM 575 CD1 LEU A 36 -10.358 2.811 -32.020 1.00 0.00 C ATOM 576 CD2 LEU A 36 -10.357 0.816 -30.523 1.00 0.00 C ATOM 0 H LEU A 36 -12.242 3.643 -28.616 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.319 1.696 -27.985 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.210 4.165 -29.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.931 2.969 -29.666 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.789 2.397 -30.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.870 2.217 -32.777 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.667 3.853 -32.107 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.281 2.738 -32.169 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.870 0.253 -31.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.280 0.692 -30.635 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.665 0.445 -29.545 1.00 0.00 H new ATOM 588 N GLU A 37 -9.781 4.675 -26.731 1.00 0.00 N ATOM 589 CA GLU A 37 -8.990 5.411 -25.787 1.00 0.00 C ATOM 590 C GLU A 37 -9.113 4.772 -24.405 1.00 0.00 C ATOM 591 O GLU A 37 -8.138 4.675 -23.660 1.00 0.00 O ATOM 592 CB GLU A 37 -9.477 6.847 -25.735 1.00 0.00 C ATOM 593 CG GLU A 37 -8.685 7.702 -24.798 1.00 0.00 C ATOM 594 CD GLU A 37 -9.338 9.031 -24.533 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.948 10.029 -25.170 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.253 9.087 -23.691 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.610 5.170 -27.058 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.945 5.394 -26.095 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.431 7.276 -26.736 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.524 6.859 -25.431 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.551 7.173 -23.855 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.691 7.867 -25.215 1.00 0.00 H new ATOM 603 N GLU A 38 -10.323 4.313 -24.088 1.00 0.00 N ATOM 604 CA GLU A 38 -10.614 3.667 -22.814 1.00 0.00 C ATOM 605 C GLU A 38 -9.789 2.394 -22.693 1.00 0.00 C ATOM 606 O GLU A 38 -9.183 2.115 -21.659 1.00 0.00 O ATOM 607 CB GLU A 38 -12.105 3.309 -22.759 1.00 0.00 C ATOM 608 CG GLU A 38 -13.039 4.497 -22.921 1.00 0.00 C ATOM 609 CD GLU A 38 -13.113 5.354 -21.684 1.00 0.00 C ATOM 610 OE1 GLU A 38 -14.060 5.168 -20.890 1.00 0.00 O ATOM 611 OE2 GLU A 38 -12.230 6.212 -21.490 1.00 0.00 O1- ATOM 0 H GLU A 38 -11.129 4.380 -24.710 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.366 4.343 -21.996 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.321 2.582 -23.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.315 2.823 -21.806 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.703 5.106 -23.760 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.038 4.137 -23.169 1.00 0.00 H new ATOM 618 N ILE A 39 -9.770 1.644 -23.779 1.00 0.00 N ATOM 619 CA ILE A 39 -9.021 0.403 -23.844 1.00 0.00 C ATOM 620 C ILE A 39 -7.529 0.683 -23.693 1.00 0.00 C ATOM 621 O ILE A 39 -6.848 0.046 -22.893 1.00 0.00 O ATOM 622 CB ILE A 39 -9.275 -0.343 -25.174 1.00 0.00 C ATOM 623 CG1 ILE A 39 -10.754 -0.699 -25.305 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.420 -1.605 -25.247 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.111 -1.341 -26.624 1.00 0.00 C ATOM 0 H ILE A 39 -10.271 1.876 -24.637 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.361 -0.232 -23.026 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.998 0.313 -25.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.028 -1.376 -24.496 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.349 0.206 -25.179 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.610 -2.119 -26.189 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.366 -1.334 -25.188 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.673 -2.264 -24.416 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.178 -1.565 -26.643 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.869 -0.658 -27.438 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.544 -2.264 -26.745 1.00 0.00 H new ATOM 637 N GLU A 40 -7.040 1.662 -24.447 1.00 0.00 N ATOM 638 CA GLU A 40 -5.632 2.063 -24.406 1.00 0.00 C ATOM 639 C GLU A 40 -5.230 2.485 -22.983 1.00 0.00 C ATOM 640 O GLU A 40 -4.126 2.185 -22.518 1.00 0.00 O ATOM 641 CB GLU A 40 -5.415 3.221 -25.394 1.00 0.00 C ATOM 642 CG GLU A 40 -4.032 3.278 -26.035 1.00 0.00 C ATOM 643 CD GLU A 40 -2.935 3.675 -25.075 1.00 0.00 C ATOM 644 OE1 GLU A 40 -2.997 4.800 -24.525 1.00 0.00 O ATOM 645 OE2 GLU A 40 -1.990 2.884 -24.888 1.00 0.00 O1- ATOM 0 H GLU A 40 -7.605 2.201 -25.104 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.006 1.218 -24.692 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.162 3.147 -26.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.595 4.161 -24.872 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.797 2.302 -26.458 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.053 3.987 -26.862 1.00 0.00 H new ATOM 652 N GLU A 41 -6.145 3.148 -22.287 1.00 0.00 N ATOM 653 CA GLU A 41 -5.914 3.592 -20.937 1.00 0.00 C ATOM 654 C GLU A 41 -5.753 2.393 -20.007 1.00 0.00 C ATOM 655 O GLU A 41 -4.828 2.336 -19.187 1.00 0.00 O ATOM 656 CB GLU A 41 -7.101 4.447 -20.505 1.00 0.00 C ATOM 657 CG GLU A 41 -7.057 4.912 -19.078 1.00 0.00 C ATOM 658 CD GLU A 41 -5.861 5.782 -18.783 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.003 5.362 -17.989 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.774 6.892 -19.347 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.067 3.389 -22.652 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.997 4.179 -20.888 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.157 5.320 -21.155 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.017 3.876 -20.658 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.968 5.467 -18.853 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.041 4.044 -18.418 1.00 0.00 H new ATOM 667 N LEU A 42 -6.631 1.425 -20.169 1.00 0.00 N ATOM 668 CA LEU A 42 -6.623 0.230 -19.354 1.00 0.00 C ATOM 669 C LEU A 42 -5.421 -0.656 -19.662 1.00 0.00 C ATOM 670 O LEU A 42 -4.853 -1.267 -18.759 1.00 0.00 O ATOM 671 CB LEU A 42 -7.928 -0.534 -19.534 1.00 0.00 C ATOM 672 CG LEU A 42 -9.188 0.249 -19.156 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.431 -0.538 -19.495 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.171 0.615 -17.680 1.00 0.00 C ATOM 0 H LEU A 42 -7.371 1.446 -20.871 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.535 0.533 -18.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.010 -0.845 -20.575 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.887 -1.442 -18.932 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.201 1.171 -19.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.314 0.038 -19.217 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.452 -0.741 -20.566 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.426 -1.480 -18.947 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.075 1.171 -17.433 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.128 -0.294 -17.080 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.297 1.231 -17.468 1.00 0.00 H new ATOM 686 N ILE A 43 -5.029 -0.718 -20.934 1.00 0.00 N ATOM 687 CA ILE A 43 -3.884 -1.533 -21.335 1.00 0.00 C ATOM 688 C ILE A 43 -2.613 -1.047 -20.647 1.00 0.00 C ATOM 689 O ILE A 43 -1.867 -1.844 -20.067 1.00 0.00 O ATOM 690 CB ILE A 43 -3.665 -1.517 -22.875 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.844 -2.179 -23.593 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.356 -2.215 -23.246 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.732 -2.155 -25.105 1.00 0.00 C ATOM 0 H ILE A 43 -5.483 -0.218 -21.698 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.104 -2.556 -21.030 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.602 -0.478 -23.197 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.925 -3.214 -23.260 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.765 -1.676 -23.298 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.225 -2.191 -24.328 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.522 -1.702 -22.768 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.387 -3.251 -22.907 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.604 -2.642 -25.542 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.682 -1.122 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.829 -2.683 -25.411 1.00 0.00 H new ATOM 705 N GLN A 44 -2.388 0.263 -20.682 1.00 0.00 N ATOM 706 CA GLN A 44 -1.207 0.844 -20.057 1.00 0.00 C ATOM 707 C GLN A 44 -1.252 0.664 -18.552 1.00 0.00 C ATOM 708 O GLN A 44 -0.283 0.229 -17.951 1.00 0.00 O ATOM 709 CB GLN A 44 -1.090 2.334 -20.382 1.00 0.00 C ATOM 710 CG GLN A 44 -0.914 2.643 -21.856 1.00 0.00 C ATOM 711 CD GLN A 44 0.325 2.015 -22.452 1.00 0.00 C ATOM 712 OE1 GLN A 44 1.326 1.796 -21.764 1.00 0.00 O ATOM 713 NE2 GLN A 44 0.274 1.738 -23.736 1.00 0.00 N ATOM 0 H GLN A 44 -3.005 0.938 -21.134 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.337 0.324 -20.457 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.984 2.843 -20.021 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.244 2.748 -19.833 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.790 2.292 -22.401 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.867 3.724 -21.991 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.574 1.936 -24.267 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.083 1.326 -24.201 1.00 0.00 H new ATOM 722 N LYS A 45 -2.408 0.949 -17.964 1.00 0.00 N ATOM 723 CA LYS A 45 -2.585 0.868 -16.517 1.00 0.00 C ATOM 724 C LYS A 45 -2.355 -0.556 -16.014 1.00 0.00 C ATOM 725 O LYS A 45 -1.833 -0.766 -14.922 1.00 0.00 O ATOM 726 CB LYS A 45 -3.986 1.355 -16.133 1.00 0.00 C ATOM 727 CG LYS A 45 -4.200 1.521 -14.637 1.00 0.00 C ATOM 728 CD LYS A 45 -5.572 2.100 -14.339 1.00 0.00 C ATOM 729 CE LYS A 45 -5.766 2.341 -12.851 1.00 0.00 C ATOM 730 NZ LYS A 45 -5.721 1.083 -12.069 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.244 1.241 -18.471 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.844 1.512 -16.043 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.174 2.310 -16.624 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.722 0.649 -16.518 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.095 0.555 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.430 2.174 -14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.697 3.038 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.342 1.419 -14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.992 3.019 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.724 2.835 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.991 1.277 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.383 0.395 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.757 0.693 -12.093 1.00 0.00 H new ATOM 744 N HIS A 46 -2.735 -1.521 -16.825 1.00 0.00 N ATOM 745 CA HIS A 46 -2.577 -2.921 -16.486 1.00 0.00 C ATOM 746 C HIS A 46 -1.115 -3.346 -16.664 1.00 0.00 C ATOM 747 O HIS A 46 -0.551 -4.042 -15.823 1.00 0.00 O ATOM 748 CB HIS A 46 -3.508 -3.754 -17.377 1.00 0.00 C ATOM 749 CG HIS A 46 -3.387 -5.242 -17.247 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.778 -5.950 -16.131 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.968 -6.156 -18.140 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.603 -7.240 -16.354 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.111 -7.391 -17.574 1.00 0.00 N ATOM 0 H HIS A 46 -3.162 -1.358 -17.737 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.844 -3.085 -15.442 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.537 -3.473 -17.155 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.321 -3.484 -18.416 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.144 -5.543 -15.270 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.586 -5.950 -19.129 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.824 -8.037 -15.659 1.00 0.00 H new ATOM 761 N ARG A 47 -0.513 -2.918 -17.771 1.00 0.00 N ATOM 762 CA ARG A 47 0.880 -3.243 -18.075 1.00 0.00 C ATOM 763 C ARG A 47 1.858 -2.588 -17.091 1.00 0.00 C ATOM 764 O ARG A 47 2.913 -3.145 -16.804 1.00 0.00 O ATOM 765 CB ARG A 47 1.228 -2.860 -19.516 1.00 0.00 C ATOM 766 CG ARG A 47 2.650 -3.219 -19.913 1.00 0.00 C ATOM 767 CD ARG A 47 2.864 -3.086 -21.408 1.00 0.00 C ATOM 768 NE ARG A 47 4.239 -3.407 -21.784 1.00 0.00 N ATOM 769 CZ ARG A 47 4.590 -4.332 -22.681 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.667 -5.083 -23.276 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 5.867 -4.515 -22.967 1.00 0.00 N ATOM 0 H ARG A 47 -0.971 -2.342 -18.477 1.00 0.00 H new ATOM 0 HA ARG A 47 0.985 -4.322 -17.965 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.534 -3.357 -20.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.084 -1.787 -19.643 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.350 -2.571 -19.386 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.867 -4.241 -19.604 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.178 -3.749 -21.935 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.628 -2.069 -21.721 1.00 0.00 H new ATOM 0 HE ARG A 47 4.987 -2.885 -21.327 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.681 -4.955 -23.048 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.945 -5.787 -23.960 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.579 -3.951 -22.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.140 -5.220 -23.651 1.00 0.00 H new ATOM 785 N GLN A 48 1.499 -1.420 -16.569 1.00 0.00 N ATOM 786 CA GLN A 48 2.359 -0.711 -15.612 1.00 0.00 C ATOM 787 C GLN A 48 2.650 -1.581 -14.398 1.00 0.00 C ATOM 788 O GLN A 48 3.767 -1.585 -13.881 1.00 0.00 O ATOM 789 CB GLN A 48 1.703 0.596 -15.167 1.00 0.00 C ATOM 790 CG GLN A 48 1.635 1.649 -16.253 1.00 0.00 C ATOM 791 CD GLN A 48 0.737 2.814 -15.890 1.00 0.00 C ATOM 792 OE1 GLN A 48 -0.238 2.661 -15.147 1.00 0.00 O ATOM 793 NE2 GLN A 48 1.051 3.976 -16.411 1.00 0.00 N ATOM 0 H GLN A 48 0.625 -0.942 -16.787 1.00 0.00 H new ATOM 0 HA GLN A 48 3.300 -0.483 -16.112 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.693 0.383 -14.817 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.256 0.998 -14.318 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.640 2.021 -16.455 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.273 1.191 -17.174 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.865 4.059 -17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.481 4.797 -16.207 1.00 0.00 H new ATOM 802 N LEU A 49 1.657 -2.341 -13.975 1.00 0.00 N ATOM 803 CA LEU A 49 1.800 -3.234 -12.836 1.00 0.00 C ATOM 804 C LEU A 49 2.789 -4.352 -13.162 1.00 0.00 C ATOM 805 O LEU A 49 3.542 -4.811 -12.300 1.00 0.00 O ATOM 806 CB LEU A 49 0.439 -3.824 -12.479 1.00 0.00 C ATOM 807 CG LEU A 49 -0.618 -2.812 -12.038 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.965 -3.482 -11.889 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.210 -2.145 -10.739 1.00 0.00 C ATOM 0 H LEU A 49 0.733 -2.358 -14.407 1.00 0.00 H new ATOM 0 HA LEU A 49 2.183 -2.671 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.059 -4.367 -13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.576 -4.553 -11.680 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.698 -2.044 -12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.705 -2.746 -11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.265 -3.912 -12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.898 -4.272 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.976 -1.428 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.099 -2.901 -9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.738 -1.626 -10.879 1.00 0.00 H new ATOM 821 N PHE A 50 2.796 -4.760 -14.420 1.00 0.00 N ATOM 822 CA PHE A 50 3.680 -5.812 -14.891 1.00 0.00 C ATOM 823 C PHE A 50 5.111 -5.289 -15.033 1.00 0.00 C ATOM 824 O PHE A 50 6.078 -6.006 -14.765 1.00 0.00 O ATOM 825 CB PHE A 50 3.171 -6.360 -16.231 1.00 0.00 C ATOM 826 CG PHE A 50 4.071 -7.380 -16.868 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.204 -8.644 -16.322 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.778 -7.074 -18.020 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.024 -9.584 -16.910 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.602 -8.009 -18.611 1.00 0.00 C ATOM 831 CZ PHE A 50 5.725 -9.265 -18.057 1.00 0.00 C ATOM 0 H PHE A 50 2.190 -4.372 -15.142 1.00 0.00 H new ATOM 0 HA PHE A 50 3.686 -6.620 -14.160 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.189 -6.806 -16.077 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.038 -5.528 -16.923 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.659 -8.898 -15.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.683 -6.092 -18.460 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.118 -10.568 -16.475 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.150 -7.757 -19.507 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.369 -9.999 -18.519 1.00 0.00 H new ATOM 841 N ASP A 51 5.237 -4.026 -15.414 1.00 0.00 N ATOM 842 CA ASP A 51 6.549 -3.415 -15.595 1.00 0.00 C ATOM 843 C ASP A 51 7.196 -3.138 -14.252 1.00 0.00 C ATOM 844 O ASP A 51 8.420 -3.076 -14.143 1.00 0.00 O ATOM 845 CB ASP A 51 6.468 -2.120 -16.417 1.00 0.00 C ATOM 846 CG ASP A 51 6.350 -2.369 -17.911 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.199 -3.102 -18.466 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.428 -1.808 -18.544 1.00 0.00 O1- ATOM 0 H ASP A 51 4.451 -3.405 -15.604 1.00 0.00 H new ATOM 0 HA ASP A 51 7.163 -4.124 -16.150 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.609 -1.538 -16.083 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.356 -1.518 -16.224 1.00 0.00 H new ATOM 969 N GLU A 60 5.200 -16.974 -20.390 1.00 0.00 N ATOM 970 CA GLU A 60 4.381 -17.377 -21.534 1.00 0.00 C ATOM 971 C GLU A 60 3.040 -16.644 -21.565 1.00 0.00 C ATOM 972 O GLU A 60 2.555 -16.280 -22.639 1.00 0.00 O ATOM 973 CB GLU A 60 4.199 -18.909 -21.616 1.00 0.00 C ATOM 974 CG GLU A 60 3.176 -19.499 -20.671 1.00 0.00 C ATOM 975 CD GLU A 60 3.071 -21.000 -20.824 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.317 -21.461 -21.706 1.00 0.00 O ATOM 977 OE2 GLU A 60 3.738 -21.733 -20.057 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.930 -17.079 -22.427 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.917 -19.169 -22.636 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.162 -19.382 -21.421 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.448 -19.256 -19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.203 -19.045 -20.859 1.00 0.00 H new ATOM 984 N ALA A 61 2.449 -16.412 -20.395 1.00 0.00 N ATOM 985 CA ALA A 61 1.199 -15.668 -20.311 1.00 0.00 C ATOM 986 C ALA A 61 1.425 -14.219 -20.722 1.00 0.00 C ATOM 987 O ALA A 61 0.583 -13.604 -21.384 1.00 0.00 O ATOM 988 CB ALA A 61 0.625 -15.740 -18.901 1.00 0.00 C ATOM 0 H ALA A 61 2.815 -16.728 -19.497 1.00 0.00 H new ATOM 0 HA ALA A 61 0.479 -16.118 -20.994 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.308 -15.178 -18.859 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.434 -16.781 -18.638 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.338 -15.313 -18.196 1.00 0.00 H new ATOM 994 N ALA A 62 2.581 -13.688 -20.346 1.00 0.00 N ATOM 995 CA ALA A 62 2.948 -12.321 -20.681 1.00 0.00 C ATOM 996 C ALA A 62 3.171 -12.184 -22.178 1.00 0.00 C ATOM 997 O ALA A 62 2.843 -11.160 -22.778 1.00 0.00 O ATOM 998 CB ALA A 62 4.202 -11.911 -19.924 1.00 0.00 C ATOM 0 H ALA A 62 3.285 -14.189 -19.804 1.00 0.00 H new ATOM 0 HA ALA A 62 2.131 -11.662 -20.389 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.465 -10.886 -20.184 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.018 -11.977 -18.852 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.023 -12.576 -20.193 1.00 0.00 H new ATOM 1004 N LYS A 63 3.713 -13.238 -22.781 1.00 0.00 N ATOM 1005 CA LYS A 63 3.975 -13.259 -24.209 1.00 0.00 C ATOM 1006 C LYS A 63 2.672 -13.159 -24.991 1.00 0.00 C ATOM 1007 O LYS A 63 2.601 -12.477 -26.017 1.00 0.00 O ATOM 1008 CB LYS A 63 4.731 -14.536 -24.593 1.00 0.00 C ATOM 1009 CG LYS A 63 5.032 -14.651 -26.078 1.00 0.00 C ATOM 1010 CD LYS A 63 5.773 -15.937 -26.397 1.00 0.00 C ATOM 1011 CE LYS A 63 6.032 -16.065 -27.887 1.00 0.00 C ATOM 1012 NZ LYS A 63 6.774 -17.303 -28.217 1.00 0.00 N1+ ATOM 0 H LYS A 63 3.980 -14.094 -22.294 1.00 0.00 H new ATOM 0 HA LYS A 63 4.595 -12.399 -24.460 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.669 -14.572 -24.038 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.144 -15.401 -24.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.100 -14.617 -26.643 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.630 -13.797 -26.397 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.720 -15.958 -25.857 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.190 -16.791 -26.052 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.082 -16.058 -28.422 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.598 -15.200 -28.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.930 -17.351 -29.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.692 -17.299 -27.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.223 -18.130 -27.911 1.00 0.00 H new ATOM 1026 N GLN A 64 1.637 -13.823 -24.491 1.00 0.00 N ATOM 1027 CA GLN A 64 0.332 -13.784 -25.129 1.00 0.00 C ATOM 1028 C GLN A 64 -0.247 -12.389 -25.021 1.00 0.00 C ATOM 1029 O GLN A 64 -0.838 -11.875 -25.974 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.611 -14.790 -24.484 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.124 -16.220 -24.557 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.065 -17.186 -23.883 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.771 -16.829 -22.946 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.073 -18.421 -24.348 1.00 0.00 N ATOM 0 H GLN A 64 1.678 -14.394 -23.647 1.00 0.00 H new ATOM 0 HA GLN A 64 0.449 -14.047 -26.180 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.756 -14.519 -23.438 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.585 -14.723 -24.969 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.002 -16.506 -25.602 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.859 -16.290 -24.091 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.469 -18.676 -25.130 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.683 -19.121 -23.926 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.068 -11.777 -23.850 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.528 -10.420 -23.644 1.00 0.00 C ATOM 1045 C GLY A 65 0.139 -9.448 -24.588 1.00 0.00 C ATOM 1046 O GLY A 65 -0.512 -8.550 -25.116 1.00 0.00 O ATOM 0 H GLY A 65 0.388 -12.201 -23.042 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.608 -10.378 -23.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.328 -10.121 -22.615 1.00 0.00 H new ATOM 1050 N ASP A 66 1.437 -9.630 -24.818 1.00 0.00 N ATOM 1051 CA ASP A 66 2.157 -8.798 -25.779 1.00 0.00 C ATOM 1052 C ASP A 66 1.552 -8.941 -27.161 1.00 0.00 C ATOM 1053 O ASP A 66 1.337 -7.949 -27.860 1.00 0.00 O ATOM 1054 CB ASP A 66 3.650 -9.143 -25.831 1.00 0.00 C ATOM 1055 CG ASP A 66 4.463 -8.396 -24.799 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.407 -7.141 -24.791 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.194 -9.047 -24.020 1.00 0.00 O1- ATOM 0 H ASP A 66 2.007 -10.339 -24.357 1.00 0.00 H new ATOM 0 HA ASP A 66 2.062 -7.765 -25.444 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.775 -10.215 -25.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.036 -8.915 -26.825 1.00 0.00 H new ATOM 1062 N GLN A 67 1.266 -10.178 -27.545 1.00 0.00 N ATOM 1063 CA GLN A 67 0.662 -10.460 -28.840 1.00 0.00 C ATOM 1064 C GLN A 67 -0.726 -9.837 -28.945 1.00 0.00 C ATOM 1065 O GLN A 67 -1.091 -9.302 -29.988 1.00 0.00 O ATOM 1066 CB GLN A 67 0.589 -11.963 -29.089 1.00 0.00 C ATOM 1067 CG GLN A 67 1.948 -12.627 -29.211 1.00 0.00 C ATOM 1068 CD GLN A 67 1.850 -14.110 -29.489 1.00 0.00 C ATOM 1069 OE1 GLN A 67 0.900 -14.773 -29.068 1.00 0.00 O ATOM 1070 NE2 GLN A 67 2.824 -14.639 -30.200 1.00 0.00 N ATOM 0 H GLN A 67 1.444 -11.005 -26.975 1.00 0.00 H new ATOM 0 HA GLN A 67 1.296 -10.013 -29.606 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.037 -12.431 -28.274 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.022 -12.144 -30.002 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.511 -12.148 -30.012 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.508 -12.471 -28.289 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.592 -14.053 -30.529 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.811 -15.634 -30.422 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.490 -9.899 -27.855 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.824 -9.307 -27.821 1.00 0.00 C ATOM 1081 C TRP A 68 -2.742 -7.804 -28.081 1.00 0.00 C ATOM 1082 O TRP A 68 -3.581 -7.235 -28.779 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.526 -9.585 -26.482 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.971 -9.173 -26.486 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.029 -9.908 -26.937 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.515 -7.927 -26.031 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.192 -9.195 -26.800 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.905 -7.977 -26.245 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.963 -6.772 -25.467 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.749 -6.920 -25.916 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -5.802 -5.725 -25.141 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.181 -5.806 -25.365 1.00 0.00 C ATOM 0 H TRP A 68 -1.208 -10.353 -26.986 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.418 -9.769 -28.609 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.457 -10.649 -26.255 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.004 -9.054 -25.686 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.960 -10.906 -27.343 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.121 -9.520 -27.068 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.900 -6.701 -25.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.813 -6.978 -26.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.387 -4.828 -24.706 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.810 -4.970 -25.097 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.704 -7.176 -27.537 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.504 -5.747 -27.710 1.00 0.00 C ATOM 1105 C VAL A 69 -1.193 -5.451 -29.174 1.00 0.00 C ATOM 1106 O VAL A 69 -1.665 -4.463 -29.737 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.356 -5.209 -26.813 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.114 -3.725 -27.067 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.672 -5.446 -25.346 1.00 0.00 C ATOM 0 H VAL A 69 -0.990 -7.637 -26.973 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.422 -5.242 -27.410 1.00 0.00 H new ATOM 0 HB VAL A 69 0.554 -5.752 -27.069 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.695 -3.373 -26.426 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.159 -3.574 -28.111 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.022 -3.165 -26.845 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.143 -5.063 -24.732 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.596 -4.931 -25.085 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.790 -6.515 -25.167 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.418 -6.339 -29.793 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.053 -6.197 -31.195 1.00 0.00 C ATOM 1121 C GLN A 70 -1.276 -6.381 -32.081 1.00 0.00 C ATOM 1122 O GLN A 70 -1.455 -5.668 -33.070 1.00 0.00 O ATOM 1123 CB GLN A 70 1.041 -7.201 -31.569 1.00 0.00 C ATOM 1124 CG GLN A 70 2.361 -6.948 -30.858 1.00 0.00 C ATOM 1125 CD GLN A 70 2.948 -5.590 -31.198 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.760 -5.080 -32.305 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.649 -4.994 -30.254 1.00 0.00 N ATOM 0 H GLN A 70 -0.031 -7.167 -29.341 1.00 0.00 H new ATOM 0 HA GLN A 70 0.338 -5.192 -31.352 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.696 -8.208 -31.332 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.204 -7.165 -32.646 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.210 -7.016 -29.781 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.073 -7.727 -31.130 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.781 -5.451 -29.351 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.060 -4.076 -30.426 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.123 -7.338 -31.715 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.368 -7.578 -32.431 1.00 0.00 C ATOM 1138 C LEU A 71 -4.260 -6.348 -32.342 1.00 0.00 C ATOM 1139 O LEU A 71 -4.904 -5.964 -33.314 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.095 -8.793 -31.846 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.427 -10.150 -32.059 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -4.112 -11.215 -31.217 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.475 -10.536 -33.527 1.00 0.00 C ATOM 0 H LEU A 71 -1.967 -7.962 -30.923 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.137 -7.780 -33.477 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.216 -8.636 -30.774 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.095 -8.833 -32.277 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.385 -10.075 -31.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.625 -12.176 -31.380 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.042 -10.946 -30.163 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.161 -11.287 -31.504 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.995 -11.505 -33.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.513 -10.595 -33.854 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.951 -9.785 -34.118 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.272 -5.730 -31.165 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.052 -4.522 -30.940 1.00 0.00 C ATOM 1157 C PHE A 72 -4.547 -3.391 -31.832 1.00 0.00 C ATOM 1158 O PHE A 72 -5.336 -2.616 -32.377 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.005 -4.097 -29.466 1.00 0.00 C ATOM 1160 CG PHE A 72 -5.831 -2.873 -29.173 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.205 -2.971 -29.022 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -5.236 -1.625 -29.057 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -7.969 -1.851 -28.763 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -5.996 -0.500 -28.796 1.00 0.00 C ATOM 1165 CZ PHE A 72 -7.364 -0.614 -28.651 1.00 0.00 C ATOM 0 H PHE A 72 -3.747 -6.049 -30.350 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.089 -4.739 -31.196 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.357 -4.921 -28.846 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.970 -3.905 -29.183 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.684 -3.935 -29.108 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.166 -1.531 -29.172 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.039 -1.942 -28.648 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.521 0.466 -28.706 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.961 0.263 -28.450 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.229 -3.311 -31.988 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.622 -2.295 -32.840 1.00 0.00 C ATOM 1177 C GLN A 73 -3.054 -2.494 -34.282 1.00 0.00 C ATOM 1178 O GLN A 73 -3.381 -1.537 -34.984 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.097 -2.344 -32.741 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.561 -2.052 -31.351 1.00 0.00 C ATOM 1181 CD GLN A 73 -0.979 -0.688 -30.834 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -1.185 0.250 -31.606 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -1.106 -0.570 -29.530 1.00 0.00 N ATOM 0 H GLN A 73 -2.562 -3.937 -31.536 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.960 -1.317 -32.498 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.754 -3.331 -33.052 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.674 -1.624 -33.442 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.913 -2.820 -30.662 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.527 -2.112 -31.366 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.926 -1.372 -28.925 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.385 0.323 -29.123 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.072 -3.749 -34.715 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.497 -4.084 -36.062 1.00 0.00 C ATOM 1194 C ARG A 74 -4.988 -3.821 -36.222 1.00 0.00 C ATOM 1195 O ARG A 74 -5.446 -3.418 -37.287 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.173 -5.541 -36.385 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.688 -5.863 -36.354 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.426 -7.301 -36.756 1.00 0.00 C ATOM 1199 NE ARG A 74 -0.010 -7.658 -36.640 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.563 -8.686 -37.276 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -0.146 -9.427 -38.125 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 1.844 -8.960 -37.072 1.00 0.00 N ATOM 0 H ARG A 74 -2.796 -4.551 -34.148 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.952 -3.452 -36.764 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.689 -6.184 -35.672 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.566 -5.780 -37.373 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.154 -5.192 -37.027 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.297 -5.686 -35.352 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.019 -7.966 -36.128 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.755 -7.455 -37.784 1.00 0.00 H new ATOM 0 HE ARG A 74 0.578 -7.085 -36.034 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.129 -9.212 -38.292 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.294 -10.210 -38.608 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.392 -8.387 -36.430 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.281 -9.744 -37.557 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.736 -4.064 -35.148 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.170 -3.797 -35.124 1.00 0.00 C ATOM 1218 C PHE A 75 -7.417 -2.302 -35.324 1.00 0.00 C ATOM 1219 O PHE A 75 -8.237 -1.904 -36.146 1.00 0.00 O ATOM 1220 CB PHE A 75 -7.779 -4.277 -33.796 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.269 -4.088 -33.692 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.137 -4.965 -34.324 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -9.801 -3.042 -32.954 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.506 -4.801 -34.225 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.169 -2.872 -32.851 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.022 -3.754 -33.488 1.00 0.00 C ATOM 0 H PHE A 75 -5.368 -4.448 -34.278 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.651 -4.344 -35.935 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.549 -5.334 -33.666 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.299 -3.743 -32.976 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.739 -5.787 -34.901 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.139 -2.351 -32.453 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.171 -5.491 -34.723 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.571 -2.052 -32.274 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.091 -3.624 -33.409 1.00 0.00 H new ATOM 1236 N ARG A 76 -6.684 -1.482 -34.569 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.757 -0.027 -34.712 1.00 0.00 C ATOM 1238 C ARG A 76 -6.389 0.378 -36.136 1.00 0.00 C ATOM 1239 O ARG A 76 -7.029 1.241 -36.736 1.00 0.00 O ATOM 1240 CB ARG A 76 -5.812 0.668 -33.716 1.00 0.00 C ATOM 1241 CG ARG A 76 -5.690 2.175 -33.933 1.00 0.00 C ATOM 1242 CD ARG A 76 -6.999 2.888 -33.640 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.312 3.917 -34.641 1.00 0.00 N ATOM 1244 CZ ARG A 76 -8.094 4.978 -34.410 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -8.498 5.258 -33.177 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -8.430 5.776 -35.404 1.00 0.00 N ATOM 0 H ARG A 76 -6.033 -1.801 -33.852 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.779 0.286 -34.499 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.168 0.484 -32.702 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.822 0.218 -33.793 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.906 2.574 -33.290 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.390 2.372 -34.962 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.808 2.158 -33.608 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.946 3.349 -32.654 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.907 3.816 -35.572 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.212 4.663 -32.399 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.094 6.068 -33.007 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.094 5.584 -36.348 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.026 6.585 -35.229 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.394 -0.301 -36.680 1.00 0.00 N ATOM 1261 CA GLU A 77 -4.888 -0.026 -38.005 1.00 0.00 C ATOM 1262 C GLU A 77 -5.946 -0.355 -39.049 1.00 0.00 C ATOM 1263 O GLU A 77 -6.087 0.345 -40.054 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.650 -0.879 -38.245 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.033 -0.709 -39.606 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.071 -1.819 -39.932 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.484 -2.785 -40.609 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -0.902 -1.738 -39.513 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.913 -1.065 -36.206 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.634 1.031 -38.086 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.904 -0.636 -37.488 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.914 -1.928 -38.107 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.820 -0.679 -40.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.512 0.247 -39.651 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.701 -1.409 -38.786 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.735 -1.871 -39.686 1.00 0.00 C ATOM 1277 C ALA A 78 -8.889 -0.888 -39.722 1.00 0.00 C ATOM 1278 O ALA A 78 -9.542 -0.718 -40.753 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.213 -3.251 -39.276 1.00 0.00 C ATOM 0 H ALA A 78 -6.610 -1.968 -37.938 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.317 -1.938 -40.690 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.991 -3.585 -39.962 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.377 -3.950 -39.307 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.615 -3.211 -38.264 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.121 -0.213 -38.594 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.194 0.765 -38.493 1.00 0.00 C ATOM 1287 C ILE A 79 -9.810 1.988 -39.301 1.00 0.00 C ATOM 1288 O ILE A 79 -10.637 2.592 -39.985 1.00 0.00 O ATOM 1289 CB ILE A 79 -10.424 1.197 -37.018 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -10.834 -0.002 -36.165 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -11.482 2.295 -36.936 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -10.936 0.306 -34.687 1.00 0.00 C ATOM 0 H ILE A 79 -8.577 -0.330 -37.739 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.112 0.315 -38.871 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.486 1.594 -36.629 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.797 -0.374 -36.516 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.110 -0.804 -36.310 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.628 2.583 -35.895 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.152 3.161 -37.509 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.422 1.926 -37.345 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.231 -0.594 -34.147 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.969 0.649 -34.319 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.681 1.085 -34.528 1.00 0.00 H new ATOM 1304 N ASP A 80 -8.526 2.316 -39.250 1.00 0.00 N ATOM 1305 CA ASP A 80 -7.994 3.464 -39.958 1.00 0.00 C ATOM 1306 C ASP A 80 -8.042 3.210 -41.458 1.00 0.00 C ATOM 1307 O ASP A 80 -8.242 4.129 -42.254 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.548 3.748 -39.524 1.00 0.00 C ATOM 1309 CG ASP A 80 -6.413 4.150 -38.064 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.180 5.015 -37.604 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.513 3.626 -37.379 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.830 1.794 -38.718 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.604 4.334 -39.717 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.943 2.859 -39.704 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.140 4.542 -40.149 1.00 0.00 H new ATOM 1316 N LYS A 81 -7.877 1.950 -41.832 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.891 1.543 -43.230 1.00 0.00 C ATOM 1318 C LYS A 81 -9.311 1.358 -43.751 1.00 0.00 C ATOM 1319 O LYS A 81 -9.519 1.233 -44.957 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.120 0.231 -43.416 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.619 0.348 -43.232 1.00 0.00 C ATOM 1322 CD LYS A 81 -4.955 -1.018 -43.307 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.442 -0.903 -43.305 1.00 0.00 C ATOM 1324 NZ LYS A 81 -2.783 -2.232 -43.252 1.00 0.00 N1+ ATOM 0 H LYS A 81 -7.730 1.182 -41.177 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.412 2.340 -43.798 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.503 -0.504 -42.708 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.321 -0.155 -44.415 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.204 1.001 -44.000 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.402 0.810 -42.269 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.276 -1.626 -42.461 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.280 -1.533 -44.211 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.118 -0.373 -44.201 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.125 -0.307 -42.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.819 -2.157 -43.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.740 -2.559 -42.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.328 -2.913 -43.819 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.290 1.349 -42.852 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.657 1.096 -43.269 1.00 0.00 C ATOM 1340 C GLY A 82 -11.848 -0.326 -43.763 1.00 0.00 C ATOM 1341 O GLY A 82 -12.738 -0.596 -44.570 1.00 0.00 O ATOM 0 H GLY A 82 -10.164 1.510 -41.853 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.331 1.283 -42.433 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.929 1.794 -44.060 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.019 -1.234 -43.282 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.058 -2.615 -43.726 1.00 0.00 C ATOM 1347 C ASP A 83 -11.945 -3.437 -42.807 1.00 0.00 C ATOM 1348 O ASP A 83 -11.537 -3.830 -41.719 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.651 -3.207 -43.800 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.620 -4.524 -44.548 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.854 -5.578 -43.919 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.354 -4.509 -45.772 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.306 -1.038 -42.579 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.481 -2.642 -44.730 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.986 -2.497 -44.291 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.268 -3.356 -42.790 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.164 -3.677 -43.250 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.157 -4.364 -42.434 1.00 0.00 C ATOM 1359 C LYS A 84 -13.794 -5.836 -42.241 1.00 0.00 C ATOM 1360 O LYS A 84 -14.071 -6.422 -41.193 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.551 -4.236 -43.068 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.638 -5.042 -42.365 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.986 -4.867 -43.044 1.00 0.00 C ATOM 1364 CE LYS A 84 -19.035 -5.799 -42.454 1.00 0.00 C ATOM 1365 NZ LYS A 84 -18.724 -7.229 -42.719 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.496 -3.406 -44.176 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.171 -3.890 -41.452 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.840 -3.185 -43.072 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.494 -4.555 -44.109 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.365 -6.097 -42.361 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.710 -4.728 -41.324 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.316 -3.833 -42.938 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.884 -5.062 -44.112 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.101 -5.636 -41.378 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.012 -5.557 -42.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.472 -7.828 -42.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.670 -7.388 -43.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.812 -7.473 -42.282 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.140 -6.412 -43.241 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.795 -7.829 -43.209 1.00 0.00 C ATOM 1381 C ASP A 85 -11.815 -8.154 -42.102 1.00 0.00 C ATOM 1382 O ASP A 85 -12.058 -9.064 -41.304 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.231 -8.285 -44.551 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.292 -8.406 -45.615 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.929 -9.478 -45.707 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.499 -7.434 -46.367 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.838 -5.922 -44.083 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.719 -8.371 -43.007 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.470 -7.577 -44.881 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.737 -9.248 -44.425 1.00 0.00 H new ATOM 1391 N SER A 86 -10.714 -7.417 -42.025 1.00 0.00 N ATOM 1392 CA SER A 86 -9.717 -7.664 -41.001 1.00 0.00 C ATOM 1393 C SER A 86 -10.255 -7.376 -39.612 1.00 0.00 C ATOM 1394 O SER A 86 -9.869 -8.033 -38.655 1.00 0.00 O ATOM 1395 CB SER A 86 -8.451 -6.852 -41.269 1.00 0.00 C ATOM 1396 OG SER A 86 -8.759 -5.494 -41.493 1.00 0.00 O ATOM 0 H SER A 86 -10.493 -6.648 -42.658 1.00 0.00 H new ATOM 0 HA SER A 86 -9.464 -8.723 -41.042 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.772 -6.939 -40.421 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.931 -7.258 -42.136 1.00 0.00 H new ATOM 0 HG SER A 86 -9.117 -5.385 -42.399 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.167 -6.412 -39.504 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.742 -6.060 -38.212 1.00 0.00 C ATOM 1404 C LEU A 87 -12.441 -7.257 -37.603 1.00 0.00 C ATOM 1405 O LEU A 87 -12.226 -7.584 -36.440 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.738 -4.905 -38.359 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.135 -3.539 -38.676 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.232 -2.514 -38.916 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.236 -3.090 -37.542 1.00 0.00 C ATOM 0 H LEU A 87 -11.520 -5.866 -40.290 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.931 -5.745 -37.556 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.446 -5.160 -39.148 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.308 -4.823 -37.434 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.539 -3.625 -39.585 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.783 -1.546 -39.140 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.849 -2.832 -39.757 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.851 -2.428 -38.023 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.811 -2.114 -37.779 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.818 -3.019 -36.623 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.431 -3.813 -37.407 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.260 -7.915 -38.399 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.977 -9.098 -37.956 1.00 0.00 C ATOM 1423 C GLU A 88 -13.013 -10.229 -37.597 1.00 0.00 C ATOM 1424 O GLU A 88 -13.196 -10.918 -36.590 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.945 -9.546 -39.043 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.934 -8.467 -39.441 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.823 -8.880 -40.583 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -17.769 -9.656 -40.350 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.600 -8.414 -41.716 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.448 -7.648 -39.365 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.538 -8.846 -37.056 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.378 -9.853 -39.922 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.493 -10.422 -38.695 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.552 -8.212 -38.580 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.388 -7.566 -39.720 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.979 -10.402 -38.408 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.996 -11.457 -38.179 1.00 0.00 C ATOM 1438 C GLN A 89 -10.167 -11.178 -36.922 1.00 0.00 C ATOM 1439 O GLN A 89 -9.941 -12.071 -36.099 1.00 0.00 O ATOM 1440 CB GLN A 89 -10.068 -11.605 -39.391 1.00 0.00 C ATOM 1441 CG GLN A 89 -10.788 -11.901 -40.702 1.00 0.00 C ATOM 1442 CD GLN A 89 -11.646 -13.150 -40.637 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -11.355 -14.083 -39.891 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -12.700 -13.180 -41.421 1.00 0.00 N ATOM 0 H GLN A 89 -11.797 -9.827 -39.231 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.542 -12.389 -38.033 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.491 -10.687 -39.506 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.356 -12.406 -39.193 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.415 -11.049 -40.966 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.051 -12.014 -41.497 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.908 -12.386 -42.026 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.310 -13.998 -41.424 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.718 -9.941 -36.784 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.902 -9.537 -35.645 1.00 0.00 C ATOM 1455 C LEU A 90 -9.708 -9.525 -34.357 1.00 0.00 C ATOM 1456 O LEU A 90 -9.204 -9.899 -33.308 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.266 -8.169 -35.895 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.238 -8.115 -37.028 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.835 -6.683 -37.318 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.013 -8.951 -36.680 1.00 0.00 C ATOM 0 H LEU A 90 -9.906 -9.192 -37.451 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.107 -10.274 -35.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.059 -7.454 -36.114 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.784 -7.839 -34.975 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.698 -8.531 -37.924 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.104 -6.667 -38.126 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.714 -6.110 -37.613 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.397 -6.240 -36.424 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.294 -8.900 -37.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.555 -8.564 -35.769 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.312 -9.987 -36.524 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.966 -9.109 -34.444 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.835 -9.055 -33.274 1.00 0.00 C ATOM 1474 C LEU A 91 -12.029 -10.453 -32.694 1.00 0.00 C ATOM 1475 O LEU A 91 -11.967 -10.647 -31.476 1.00 0.00 O ATOM 1476 CB LEU A 91 -13.188 -8.436 -33.637 1.00 0.00 C ATOM 1477 CG LEU A 91 -14.140 -8.181 -32.469 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.546 -7.172 -31.496 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.490 -7.703 -32.978 1.00 0.00 C ATOM 0 H LEU A 91 -11.407 -8.804 -35.312 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.361 -8.427 -32.520 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.008 -7.490 -34.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.686 -9.092 -34.350 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.285 -9.121 -31.936 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.242 -7.007 -30.673 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.604 -7.556 -31.103 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.366 -6.230 -32.014 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.156 -7.526 -32.133 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.361 -6.777 -33.538 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.923 -8.463 -33.629 1.00 0.00 H new ATOM 1491 N GLU A 92 -12.236 -11.424 -33.576 1.00 0.00 N ATOM 1492 CA GLU A 92 -12.396 -12.811 -33.166 1.00 0.00 C ATOM 1493 C GLU A 92 -11.115 -13.318 -32.511 1.00 0.00 C ATOM 1494 O GLU A 92 -11.155 -14.004 -31.478 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.750 -13.688 -34.370 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.841 -15.172 -34.047 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.110 -16.017 -35.268 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -12.231 -16.096 -36.148 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -14.196 -16.623 -35.350 1.00 0.00 O1- ATOM 0 H GLU A 92 -12.297 -11.274 -34.583 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.210 -12.865 -32.443 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.704 -13.356 -34.780 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.000 -13.541 -35.147 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.910 -15.497 -33.583 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.634 -15.333 -33.317 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.981 -12.968 -33.108 1.00 0.00 N ATOM 1507 CA GLU A 93 -8.685 -13.371 -32.594 1.00 0.00 C ATOM 1508 C GLU A 93 -8.438 -12.733 -31.228 1.00 0.00 C ATOM 1509 O GLU A 93 -7.928 -13.378 -30.309 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.580 -12.960 -33.569 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.246 -13.634 -33.306 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.282 -15.116 -33.608 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -6.784 -15.891 -32.770 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.814 -15.515 -34.691 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.938 -12.401 -33.955 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.675 -14.455 -32.484 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.900 -13.193 -34.585 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.447 -11.879 -33.517 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.476 -13.160 -33.915 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.965 -13.485 -32.263 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.834 -11.467 -31.095 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.673 -10.736 -29.846 1.00 0.00 C ATOM 1523 C LEU A 94 -9.444 -11.423 -28.733 1.00 0.00 C ATOM 1524 O LEU A 94 -8.932 -11.601 -27.634 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.169 -9.289 -29.990 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.293 -8.348 -30.819 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.995 -7.016 -31.026 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.954 -8.133 -30.138 1.00 0.00 C ATOM 0 H LEU A 94 -9.270 -10.928 -31.843 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.611 -10.722 -29.600 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.163 -9.312 -30.436 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.277 -8.864 -28.992 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.120 -8.807 -31.792 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.359 -6.358 -31.618 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.936 -7.179 -31.551 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.194 -6.555 -30.058 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.343 -7.461 -30.741 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.113 -7.694 -29.153 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.443 -9.090 -30.030 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.680 -11.801 -29.035 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.547 -12.480 -28.080 1.00 0.00 C ATOM 1542 C GLU A 95 -10.944 -13.807 -27.619 1.00 0.00 C ATOM 1543 O GLU A 95 -10.915 -14.107 -26.423 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.916 -12.729 -28.716 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.861 -13.550 -27.858 1.00 0.00 C ATOM 1546 CD GLU A 95 -15.103 -13.957 -28.607 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -14.984 -14.736 -29.582 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -16.205 -13.511 -28.234 1.00 0.00 O1- ATOM 0 H GLU A 95 -11.109 -11.646 -29.947 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.654 -11.838 -27.206 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.383 -11.768 -28.934 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.774 -13.238 -29.669 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.344 -14.442 -27.503 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.143 -12.973 -26.977 1.00 0.00 H new ATOM 1555 N GLN A 96 -10.430 -14.581 -28.565 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.881 -15.894 -28.266 1.00 0.00 C ATOM 1557 C GLN A 96 -8.606 -15.780 -27.442 1.00 0.00 C ATOM 1558 O GLN A 96 -8.411 -16.515 -26.475 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.614 -16.657 -29.563 1.00 0.00 C ATOM 1560 CG GLN A 96 -8.948 -18.004 -29.364 1.00 0.00 C ATOM 1561 CD GLN A 96 -8.868 -18.803 -30.644 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.735 -18.698 -31.512 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -7.823 -19.588 -30.782 1.00 0.00 N ATOM 0 H GLN A 96 -10.382 -14.320 -29.550 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.612 -16.445 -27.675 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.559 -16.805 -30.086 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.985 -16.045 -30.209 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.943 -17.854 -28.969 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.502 -18.573 -28.618 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.127 -19.646 -30.039 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.708 -20.139 -31.633 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.760 -14.843 -27.821 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.503 -14.626 -27.126 1.00 0.00 C ATOM 1574 C ALA A 97 -6.764 -14.088 -25.728 1.00 0.00 C ATOM 1575 O ALA A 97 -6.142 -14.519 -24.761 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.613 -13.676 -27.913 1.00 0.00 C ATOM 0 H ALA A 97 -7.920 -14.216 -28.610 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.983 -15.580 -27.038 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.676 -13.526 -27.376 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.405 -14.102 -28.894 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.120 -12.718 -28.033 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.723 -13.175 -25.626 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.089 -12.572 -24.353 1.00 0.00 C ATOM 1584 C LEU A 98 -8.591 -13.641 -23.384 1.00 0.00 C ATOM 1585 O LEU A 98 -8.177 -13.689 -22.220 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.159 -11.476 -24.583 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.732 -10.773 -23.339 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.106 -9.339 -23.677 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.960 -11.512 -22.822 1.00 0.00 C ATOM 0 H LEU A 98 -8.265 -12.834 -26.420 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.210 -12.107 -23.908 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.727 -10.714 -25.231 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.989 -11.925 -25.128 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.968 -10.775 -22.562 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.510 -8.850 -22.791 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.220 -8.802 -24.015 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.856 -9.335 -24.468 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.350 -10.999 -21.943 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.725 -11.534 -23.598 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.685 -12.532 -22.555 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.472 -14.497 -23.872 1.00 0.00 N ATOM 1602 CA GLN A 99 -10.016 -15.575 -23.065 1.00 0.00 C ATOM 1603 C GLN A 99 -8.944 -16.559 -22.616 1.00 0.00 C ATOM 1604 O GLN A 99 -8.997 -17.066 -21.497 1.00 0.00 O ATOM 1605 CB GLN A 99 -11.131 -16.299 -23.812 1.00 0.00 C ATOM 1606 CG GLN A 99 -12.428 -15.516 -23.861 1.00 0.00 C ATOM 1607 CD GLN A 99 -13.019 -15.308 -22.480 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.714 -14.329 -21.795 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.866 -16.228 -22.060 1.00 0.00 N ATOM 0 H GLN A 99 -9.827 -14.466 -24.828 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.432 -15.121 -22.166 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.801 -16.506 -24.830 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.314 -17.261 -23.334 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.249 -14.548 -24.328 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.147 -16.044 -24.487 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.092 -17.023 -22.657 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.294 -16.144 -21.138 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.953 -16.810 -23.467 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.900 -17.757 -23.131 1.00 0.00 C ATOM 1620 C LYS A 100 -5.978 -17.196 -22.060 1.00 0.00 C ATOM 1621 O LYS A 100 -5.564 -17.915 -21.143 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.104 -18.152 -24.377 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.898 -19.000 -25.354 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.014 -19.582 -26.442 1.00 0.00 C ATOM 1625 CE LYS A 100 -6.825 -20.407 -27.430 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.572 -21.507 -26.763 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.859 -16.375 -24.385 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.374 -18.653 -22.730 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.764 -17.249 -24.884 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.213 -18.701 -24.071 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.392 -19.809 -24.815 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.682 -18.394 -25.808 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.505 -18.776 -26.970 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.242 -20.206 -25.992 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.527 -19.758 -27.953 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.159 -20.827 -28.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.928 -22.170 -27.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.938 -22.011 -26.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.372 -21.110 -26.231 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.660 -15.910 -22.176 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.809 -15.237 -21.206 1.00 0.00 C ATOM 1642 C ILE A 101 -5.451 -15.256 -19.823 1.00 0.00 C ATOM 1643 O ILE A 101 -4.796 -15.580 -18.839 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.516 -13.774 -21.623 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.769 -13.745 -22.957 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.703 -13.058 -20.543 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.598 -12.359 -23.532 1.00 0.00 C ATOM 0 H ILE A 101 -5.982 -15.312 -22.937 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.864 -15.780 -21.173 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.465 -13.251 -21.740 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.786 -14.195 -22.822 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.306 -14.363 -23.677 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.508 -12.032 -20.855 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.264 -13.053 -19.609 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.757 -13.579 -20.395 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.059 -12.421 -24.478 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.578 -11.912 -23.701 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.033 -11.742 -22.833 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.746 -14.930 -19.753 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.471 -14.933 -18.476 1.00 0.00 C ATOM 1661 C ARG A 102 -7.418 -16.304 -17.821 1.00 0.00 C ATOM 1662 O ARG A 102 -7.325 -16.419 -16.596 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.937 -14.544 -18.684 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.155 -13.127 -19.175 1.00 0.00 C ATOM 1665 CD ARG A 102 -10.635 -12.847 -19.393 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.411 -12.959 -18.149 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.651 -13.460 -18.071 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -13.261 -13.925 -19.159 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -13.278 -13.497 -16.902 1.00 0.00 N ATOM 0 H ARG A 102 -7.311 -14.662 -20.559 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.986 -14.204 -17.827 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.383 -15.234 -19.400 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.470 -14.673 -17.742 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.751 -12.421 -18.450 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.611 -12.974 -20.107 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.757 -11.846 -19.806 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.030 -13.546 -20.130 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.975 -12.633 -17.286 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.784 -13.901 -20.060 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.205 -14.305 -19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.816 -13.144 -16.064 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.222 -13.878 -16.842 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.486 -17.338 -18.638 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.451 -18.700 -18.150 1.00 0.00 C ATOM 1685 C GLU A 103 -6.111 -19.041 -17.527 1.00 0.00 C ATOM 1686 O GLU A 103 -6.056 -19.632 -16.450 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.776 -19.672 -19.274 1.00 0.00 C ATOM 1688 CG GLU A 103 -9.244 -19.700 -19.638 1.00 0.00 C ATOM 1689 CD GLU A 103 -10.095 -20.229 -18.510 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -10.462 -19.447 -17.615 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -10.398 -21.446 -18.511 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.566 -17.257 -19.652 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.208 -18.791 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.196 -19.403 -20.156 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.463 -20.674 -18.980 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.572 -18.694 -19.899 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.387 -20.321 -20.522 1.00 0.00 H new ATOM 1698 N LEU A 104 -5.035 -18.684 -18.200 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.700 -18.951 -17.696 1.00 0.00 C ATOM 1700 C LEU A 104 -3.336 -18.026 -16.538 1.00 0.00 C ATOM 1701 O LEU A 104 -2.798 -18.464 -15.540 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.672 -18.797 -18.825 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.719 -19.863 -19.929 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.931 -19.402 -21.137 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.151 -21.179 -19.425 1.00 0.00 C ATOM 0 H LEU A 104 -5.058 -18.206 -19.101 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.687 -19.975 -17.323 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.812 -17.819 -19.286 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.675 -18.802 -18.385 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.760 -20.012 -20.214 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.973 -20.167 -21.912 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.359 -18.475 -21.519 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.893 -19.231 -20.851 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.193 -21.922 -20.221 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.115 -21.034 -19.118 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.737 -21.526 -18.574 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.672 -16.760 -16.663 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.263 -15.750 -15.690 1.00 0.00 C ATOM 1719 C ALA A 105 -3.819 -15.984 -14.283 1.00 0.00 C ATOM 1720 O ALA A 105 -3.158 -15.662 -13.298 1.00 0.00 O ATOM 1721 CB ALA A 105 -3.655 -14.374 -16.182 1.00 0.00 C ATOM 0 H ALA A 105 -4.232 -16.396 -17.434 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.179 -15.828 -15.603 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.347 -13.625 -15.452 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.165 -14.175 -17.135 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.736 -14.329 -16.314 1.00 0.00 H new