USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 94 ASN : amide:sc= 0.0186 K(o=0.019,f=-1.1) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -160:sc= 1.41 (180deg=0.454) USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= -0.76 USER MOD Set 3.2: A 39 GLN : amide:sc= -1.14 K(o=-1.9,f=-0.77) USER MOD Set 4.1: A 6 TYR OH : rot 180:sc= 0.0699 USER MOD Set 4.2: A 34 CYS SG : rot 139:sc= 0.805 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.28! K(o=-3.3!,f=-0.54) USER MOD Single : A 25 GLN : amide:sc=-0.00545 K(o=-0.0054,f=-0.81) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 1.97 (180deg=1.45) USER MOD Single : A 44 MET CE :methyl -171:sc= -5.87! (180deg=-6.05!) USER MOD Single : A 47 GLN : amide:sc= -2.58! C(o=-2.6!,f=-5.8!) USER MOD Single : A 69 SER OG : rot -126:sc= -0.402 USER MOD Single : A 74 HIS : no HE2:sc= 1.04 K(o=1,f=-5.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -150:sc= -2.37! USER MOD Single : A 97 GLN : amide:sc= -2.3! K(o=-2.3!,f=-0.67) USER MOD Single : A 98 HIS : no HD1:sc= -0.262 X(o=-0.26,f=0.057) USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= -0.115 (180deg=-1.18) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 3:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -9.281 6.202 0.932 1.00 1.00 N ATOM 88 CA TYR A 6 -10.571 6.219 0.413 1.00 1.00 C ATOM 89 C TYR A 6 -11.332 5.368 1.359 1.00 1.00 C ATOM 90 O TYR A 6 -10.748 4.858 2.313 1.00 1.00 O ATOM 91 CB TYR A 6 -10.616 5.613 -0.994 1.00 1.00 C ATOM 92 CG TYR A 6 -10.068 6.492 -2.101 1.00 1.00 C ATOM 93 CD1 TYR A 6 -10.703 7.678 -2.454 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.934 6.131 -2.804 1.00 1.00 C ATOM 95 CE1 TYR A 6 -10.217 8.475 -3.478 1.00 1.00 C ATOM 96 CE2 TYR A 6 -8.445 6.914 -3.832 1.00 1.00 C ATOM 97 CZ TYR A 6 -9.091 8.086 -4.166 1.00 1.00 C ATOM 98 OH TYR A 6 -8.615 8.862 -5.206 1.00 1.00 O ATOM 0 HA TYR A 6 -10.967 7.230 0.317 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -10.056 4.678 -0.986 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.650 5.364 -1.230 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -11.591 7.983 -1.920 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.419 5.218 -2.544 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -10.719 9.396 -3.734 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -7.561 6.610 -4.372 1.00 1.00 H new ATOM 0 HH TYR A 6 -7.813 8.446 -5.584 1.00 1.00 H new ATOM 108 N ARG A 7 -12.559 5.168 1.130 1.00 1.00 N ATOM 109 CA ARG A 7 -13.346 4.470 2.118 1.00 1.00 C ATOM 110 C ARG A 7 -13.564 3.023 1.740 1.00 1.00 C ATOM 111 O ARG A 7 -14.205 2.737 0.736 1.00 1.00 O ATOM 112 CB ARG A 7 -14.667 5.192 2.361 1.00 1.00 C ATOM 113 CG ARG A 7 -14.493 6.690 2.531 1.00 1.00 C ATOM 114 CD ARG A 7 -13.840 7.046 3.860 1.00 1.00 C ATOM 115 NE ARG A 7 -13.593 8.489 3.955 1.00 1.00 N ATOM 116 CZ ARG A 7 -12.480 9.061 4.449 1.00 1.00 C ATOM 117 NH1 ARG A 7 -11.530 8.325 5.012 1.00 1.00 N ATOM 118 NH2 ARG A 7 -12.344 10.376 4.406 1.00 1.00 N ATOM 0 H ARG A 7 -13.059 5.461 0.291 1.00 1.00 H new ATOM 0 HA ARG A 7 -12.785 4.470 3.053 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -15.340 5.001 1.525 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -15.142 4.782 3.252 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.885 7.079 1.714 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -15.466 7.177 2.464 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -14.482 6.729 4.681 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -12.899 6.505 3.964 1.00 1.00 H new ATOM 0 HE ARG A 7 -14.327 9.111 3.618 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -11.639 7.313 5.074 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -10.691 8.772 5.383 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -13.081 10.952 4.000 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -11.502 10.814 4.779 1.00 1.00 H new ATOM 132 N PRO A 8 -12.938 2.093 2.488 1.00 1.00 N ATOM 133 CA PRO A 8 -13.189 0.667 2.331 1.00 1.00 C ATOM 134 C PRO A 8 -14.646 0.401 2.612 1.00 1.00 C ATOM 135 O PRO A 8 -15.144 0.667 3.712 1.00 1.00 O ATOM 136 CB PRO A 8 -12.301 0.006 3.392 1.00 1.00 C ATOM 137 CG PRO A 8 -11.275 1.034 3.741 1.00 1.00 C ATOM 138 CD PRO A 8 -11.915 2.369 3.506 1.00 1.00 C ATOM 0 HA PRO A 8 -12.971 0.290 1.332 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.882 -0.283 4.268 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.835 -0.900 3.006 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -10.961 0.932 4.780 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -10.383 0.917 3.125 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -12.357 2.767 4.419 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -11.190 3.104 3.156 1.00 1.00 H new ATOM 146 N LEU A 9 -15.312 -0.110 1.651 1.00 1.00 N ATOM 147 CA LEU A 9 -16.715 -0.249 1.721 1.00 1.00 C ATOM 148 C LEU A 9 -17.070 -1.726 1.722 1.00 1.00 C ATOM 149 O LEU A 9 -16.580 -2.487 0.889 1.00 1.00 O ATOM 150 CB LEU A 9 -17.306 0.474 0.486 1.00 1.00 C ATOM 151 CG LEU A 9 -18.741 1.020 0.558 1.00 1.00 C ATOM 152 CD1 LEU A 9 -19.776 -0.070 0.707 1.00 1.00 C ATOM 153 CD2 LEU A 9 -18.860 2.055 1.658 1.00 1.00 C ATOM 0 H LEU A 9 -14.896 -0.448 0.783 1.00 1.00 H new ATOM 0 HA LEU A 9 -17.122 0.189 2.632 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.648 1.309 0.248 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.259 -0.219 -0.354 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.949 1.503 -0.397 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -20.770 0.376 0.752 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -19.720 -0.745 -0.147 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -19.587 -0.629 1.624 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -19.882 2.431 1.695 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -18.606 1.599 2.615 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -18.177 2.880 1.457 1.00 1.00 H new ATOM 165 N THR A 10 -17.867 -2.134 2.678 1.00 1.00 N ATOM 166 CA THR A 10 -18.371 -3.472 2.701 1.00 1.00 C ATOM 167 C THR A 10 -19.643 -3.480 1.873 1.00 1.00 C ATOM 168 O THR A 10 -20.576 -2.740 2.149 1.00 1.00 O ATOM 169 CB THR A 10 -18.662 -3.933 4.143 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.441 -3.877 4.911 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.215 -5.355 4.164 1.00 1.00 C ATOM 0 H THR A 10 -18.179 -1.549 3.453 1.00 1.00 H new ATOM 0 HA THR A 10 -17.633 -4.163 2.292 1.00 1.00 H new ATOM 0 HB THR A 10 -19.411 -3.271 4.577 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.619 -4.167 5.830 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.411 -5.654 5.194 1.00 1.00 H new ATOM 0 HG22 THR A 10 -20.142 -5.393 3.592 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.487 -6.035 3.721 1.00 1.00 H new ATOM 179 N LEU A 11 -19.654 -4.260 0.862 1.00 1.00 N ATOM 180 CA LEU A 11 -20.731 -4.279 -0.057 1.00 1.00 C ATOM 181 C LEU A 11 -21.276 -5.696 -0.172 1.00 1.00 C ATOM 182 O LEU A 11 -20.525 -6.650 -0.121 1.00 1.00 O ATOM 183 CB LEU A 11 -20.201 -3.783 -1.390 1.00 1.00 C ATOM 184 CG LEU A 11 -21.210 -3.336 -2.406 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.021 -2.190 -1.838 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.496 -2.907 -3.672 1.00 1.00 C ATOM 0 H LEU A 11 -18.904 -4.916 0.643 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.548 -3.638 0.274 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.525 -2.950 -1.196 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.605 -4.580 -1.834 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.884 -4.158 -2.646 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.755 -1.863 -2.575 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.535 -2.520 -0.935 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.357 -1.360 -1.595 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.229 -2.582 -4.411 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.818 -2.083 -3.446 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -19.926 -3.746 -4.071 1.00 1.00 H new ATOM 198 N ASN A 12 -22.561 -5.835 -0.306 1.00 1.00 N ATOM 199 CA ASN A 12 -23.169 -7.138 -0.388 1.00 1.00 C ATOM 200 C ASN A 12 -23.449 -7.514 -1.836 1.00 1.00 C ATOM 201 O ASN A 12 -24.237 -6.840 -2.520 1.00 1.00 O ATOM 202 CB ASN A 12 -24.456 -7.162 0.417 1.00 1.00 C ATOM 203 CG ASN A 12 -25.120 -8.514 0.413 1.00 1.00 C ATOM 204 OD1 ASN A 12 -24.832 -9.356 1.247 1.00 1.00 O ATOM 205 ND2 ASN A 12 -26.003 -8.735 -0.519 1.00 1.00 N ATOM 0 H ASN A 12 -23.218 -5.057 -0.362 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.475 -7.869 0.027 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.242 -6.870 1.445 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.146 -6.422 0.013 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.479 -9.636 -0.568 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.219 -8.007 -1.200 1.00 1.00 H new ATOM 212 N ALA A 13 -22.803 -8.575 -2.298 1.00 1.00 N ATOM 213 CA ALA A 13 -22.973 -9.071 -3.652 1.00 1.00 C ATOM 214 C ALA A 13 -24.291 -9.809 -3.776 1.00 1.00 C ATOM 215 O ALA A 13 -24.507 -10.834 -3.104 1.00 1.00 O ATOM 216 CB ALA A 13 -21.829 -10.009 -4.024 1.00 1.00 C ATOM 0 H ALA A 13 -22.144 -9.117 -1.740 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.970 -8.219 -4.332 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.972 -10.372 -5.042 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.883 -9.472 -3.960 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.814 -10.855 -3.336 1.00 1.00 H new ATOM 222 N LEU A 14 -25.171 -9.298 -4.604 1.00 1.00 N ATOM 223 CA LEU A 14 -26.449 -9.906 -4.809 1.00 1.00 C ATOM 224 C LEU A 14 -26.908 -9.635 -6.256 1.00 1.00 C ATOM 225 O LEU A 14 -26.380 -8.741 -6.916 1.00 1.00 O ATOM 226 CB LEU A 14 -27.450 -9.314 -3.811 1.00 1.00 C ATOM 227 CG LEU A 14 -28.780 -10.026 -3.700 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.548 -11.449 -3.225 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.697 -9.279 -2.751 1.00 1.00 C ATOM 0 H LEU A 14 -25.015 -8.451 -5.150 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.387 -10.983 -4.652 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.985 -9.301 -2.825 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.638 -8.277 -4.088 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.262 -10.055 -4.677 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.504 -11.966 -3.144 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.912 -11.972 -3.940 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.060 -11.432 -2.250 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.651 -9.802 -2.680 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.236 -9.228 -1.764 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.864 -8.269 -3.126 1.00 1.00 H new ATOM 241 N LEU A 15 -27.852 -10.408 -6.757 1.00 1.00 N ATOM 242 CA LEU A 15 -28.377 -10.167 -8.083 1.00 1.00 C ATOM 243 C LEU A 15 -29.897 -10.101 -8.057 1.00 1.00 C ATOM 244 O LEU A 15 -30.537 -10.837 -7.315 1.00 1.00 O ATOM 245 CB LEU A 15 -27.796 -11.156 -9.142 1.00 1.00 C ATOM 246 CG LEU A 15 -28.598 -12.410 -9.520 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.897 -13.143 -10.648 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.740 -13.332 -8.346 1.00 1.00 C ATOM 0 H LEU A 15 -28.267 -11.202 -6.269 1.00 1.00 H new ATOM 0 HA LEU A 15 -28.035 -9.186 -8.414 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.622 -10.590 -10.057 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.822 -11.487 -8.782 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.592 -12.095 -9.839 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.468 -14.032 -10.914 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.820 -12.488 -11.516 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.898 -13.436 -10.326 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -29.312 -14.212 -8.641 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.752 -13.640 -8.003 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -29.259 -12.816 -7.539 1.00 1.00 H new ATOM 260 N ALA A 16 -30.458 -9.204 -8.830 1.00 1.00 N ATOM 261 CA ALA A 16 -31.886 -8.981 -8.838 1.00 1.00 C ATOM 262 C ALA A 16 -32.481 -9.336 -10.183 1.00 1.00 C ATOM 263 O ALA A 16 -33.155 -8.533 -10.809 1.00 1.00 O ATOM 264 CB ALA A 16 -32.191 -7.536 -8.484 1.00 1.00 C ATOM 0 H ALA A 16 -29.938 -8.606 -9.473 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.340 -9.629 -8.089 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.270 -7.379 -8.493 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.800 -7.314 -7.491 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.722 -6.876 -9.214 1.00 1.00 H new ATOM 270 N VAL A 17 -32.222 -10.542 -10.631 1.00 1.00 N ATOM 271 CA VAL A 17 -32.729 -11.008 -11.861 1.00 1.00 C ATOM 272 C VAL A 17 -34.253 -11.165 -11.771 1.00 1.00 C ATOM 273 O VAL A 17 -34.997 -10.788 -12.681 1.00 1.00 O ATOM 274 CB VAL A 17 -32.045 -12.334 -12.203 1.00 1.00 C ATOM 275 CG1 VAL A 17 -32.734 -12.998 -13.318 1.00 1.00 C ATOM 276 CG2 VAL A 17 -30.593 -12.101 -12.555 1.00 1.00 C ATOM 0 H VAL A 17 -31.645 -11.220 -10.132 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.520 -10.292 -12.656 1.00 1.00 H new ATOM 0 HB VAL A 17 -32.096 -12.982 -11.328 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -32.233 -13.939 -13.547 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -33.769 -13.196 -13.040 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -32.711 -12.352 -14.196 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -30.120 -13.053 -12.796 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -30.530 -11.436 -13.416 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -30.082 -11.646 -11.707 1.00 1.00 H new ATOM 286 N GLY A 18 -34.695 -11.714 -10.672 1.00 1.00 N ATOM 287 CA GLY A 18 -36.093 -11.904 -10.453 1.00 1.00 C ATOM 288 C GLY A 18 -36.334 -13.015 -9.477 1.00 1.00 C ATOM 289 O GLY A 18 -36.470 -12.763 -8.282 1.00 1.00 O ATOM 0 H GLY A 18 -34.097 -12.038 -9.912 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -36.535 -10.981 -10.077 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -36.586 -12.131 -11.398 1.00 1.00 H new ATOM 293 N PRO A 19 -36.359 -14.265 -9.945 1.00 1.00 N ATOM 294 CA PRO A 19 -36.575 -15.433 -9.082 1.00 1.00 C ATOM 295 C PRO A 19 -35.462 -15.598 -8.046 1.00 1.00 C ATOM 296 O PRO A 19 -35.705 -16.026 -6.937 1.00 1.00 O ATOM 297 CB PRO A 19 -36.565 -16.608 -10.064 1.00 1.00 C ATOM 298 CG PRO A 19 -35.829 -16.098 -11.250 1.00 1.00 C ATOM 299 CD PRO A 19 -36.180 -14.654 -11.354 1.00 1.00 C ATOM 0 HA PRO A 19 -37.496 -15.350 -8.505 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -36.070 -17.479 -9.635 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -37.578 -16.914 -10.327 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -34.754 -16.232 -11.130 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -36.119 -16.637 -12.152 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -35.390 -14.078 -11.836 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -37.088 -14.498 -11.936 1.00 1.00 H new ATOM 307 N GLY A 20 -34.252 -15.216 -8.417 1.00 1.00 N ATOM 308 CA GLY A 20 -33.130 -15.335 -7.534 1.00 1.00 C ATOM 309 C GLY A 20 -32.750 -14.014 -6.917 1.00 1.00 C ATOM 310 O GLY A 20 -31.641 -13.854 -6.399 1.00 1.00 O ATOM 0 H GLY A 20 -34.032 -14.820 -9.331 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -33.365 -16.049 -6.744 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -32.278 -15.736 -8.083 1.00 1.00 H new ATOM 314 N ALA A 21 -33.676 -13.061 -6.949 1.00 1.00 N ATOM 315 CA ALA A 21 -33.427 -11.716 -6.443 1.00 1.00 C ATOM 316 C ALA A 21 -33.494 -11.659 -4.923 1.00 1.00 C ATOM 317 O ALA A 21 -34.377 -11.014 -4.338 1.00 1.00 O ATOM 318 CB ALA A 21 -34.397 -10.719 -7.056 1.00 1.00 C ATOM 0 H ALA A 21 -34.615 -13.198 -7.324 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.414 -11.444 -6.738 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.192 -9.723 -6.663 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.277 -10.714 -8.139 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.419 -11.004 -6.805 1.00 1.00 H new ATOM 324 N GLY A 22 -32.588 -12.344 -4.300 1.00 1.00 N ATOM 325 CA GLY A 22 -32.506 -12.320 -2.868 1.00 1.00 C ATOM 326 C GLY A 22 -32.096 -13.646 -2.335 1.00 1.00 C ATOM 327 O GLY A 22 -31.442 -13.733 -1.303 1.00 1.00 O ATOM 0 H GLY A 22 -31.891 -12.930 -4.759 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.790 -11.561 -2.554 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.472 -12.039 -2.450 1.00 1.00 H new ATOM 331 N GLU A 23 -32.448 -14.685 -3.055 1.00 1.00 N ATOM 332 CA GLU A 23 -32.110 -16.041 -2.653 1.00 1.00 C ATOM 333 C GLU A 23 -30.812 -16.505 -3.312 1.00 1.00 C ATOM 334 O GLU A 23 -30.519 -17.703 -3.371 1.00 1.00 O ATOM 335 CB GLU A 23 -33.249 -17.012 -2.980 1.00 1.00 C ATOM 336 CG GLU A 23 -33.608 -17.103 -4.456 1.00 1.00 C ATOM 337 CD GLU A 23 -34.536 -18.262 -4.770 1.00 1.00 C ATOM 338 OE1 GLU A 23 -35.695 -18.269 -4.294 1.00 1.00 O ATOM 339 OE2 GLU A 23 -34.114 -19.179 -5.516 1.00 1.00 O ATOM 0 H GLU A 23 -32.972 -14.622 -3.928 1.00 1.00 H new ATOM 0 HA GLU A 23 -31.962 -16.035 -1.573 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -32.973 -18.005 -2.626 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.136 -16.710 -2.423 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.081 -16.172 -4.767 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -32.694 -17.208 -5.041 1.00 1.00 H new ATOM 346 N ALA A 24 -30.040 -15.562 -3.800 1.00 1.00 N ATOM 347 CA ALA A 24 -28.824 -15.876 -4.512 1.00 1.00 C ATOM 348 C ALA A 24 -27.690 -16.272 -3.581 1.00 1.00 C ATOM 349 O ALA A 24 -27.451 -17.448 -3.356 1.00 1.00 O ATOM 350 CB ALA A 24 -28.412 -14.713 -5.370 1.00 1.00 C ATOM 0 H ALA A 24 -30.235 -14.564 -3.716 1.00 1.00 H new ATOM 0 HA ALA A 24 -29.034 -16.739 -5.144 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.494 -14.961 -5.902 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.201 -14.494 -6.090 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.242 -13.839 -4.741 1.00 1.00 H new ATOM 356 N GLN A 25 -27.002 -15.285 -3.040 1.00 1.00 N ATOM 357 CA GLN A 25 -25.873 -15.542 -2.184 1.00 1.00 C ATOM 358 C GLN A 25 -25.789 -14.526 -1.044 1.00 1.00 C ATOM 359 O GLN A 25 -25.929 -14.892 0.119 1.00 1.00 O ATOM 360 CB GLN A 25 -24.581 -15.586 -3.018 1.00 1.00 C ATOM 361 CG GLN A 25 -24.427 -14.424 -3.995 1.00 1.00 C ATOM 362 CD GLN A 25 -23.380 -14.681 -5.034 1.00 1.00 C ATOM 363 OE1 GLN A 25 -22.214 -14.408 -4.835 1.00 1.00 O ATOM 364 NE2 GLN A 25 -23.794 -15.222 -6.145 1.00 1.00 N ATOM 0 H GLN A 25 -27.210 -14.297 -3.182 1.00 1.00 H new ATOM 0 HA GLN A 25 -26.006 -16.517 -1.715 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.726 -15.594 -2.342 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -24.554 -16.522 -3.577 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.382 -14.237 -4.485 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.171 -13.520 -3.442 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -24.784 -15.435 -6.271 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -23.129 -15.432 -6.889 1.00 1.00 H new ATOM 373 N GLY A 26 -25.602 -13.251 -1.383 1.00 1.00 N ATOM 374 CA GLY A 26 -25.482 -12.238 -0.367 1.00 1.00 C ATOM 375 C GLY A 26 -24.160 -12.339 0.329 1.00 1.00 C ATOM 376 O GLY A 26 -24.073 -12.781 1.476 1.00 1.00 O ATOM 0 H GLY A 26 -25.533 -12.911 -2.342 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.587 -11.251 -0.817 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.289 -12.346 0.358 1.00 1.00 H new ATOM 380 N VAL A 27 -23.131 -11.949 -0.369 1.00 1.00 N ATOM 381 CA VAL A 27 -21.776 -12.066 0.144 1.00 1.00 C ATOM 382 C VAL A 27 -21.170 -10.683 0.355 1.00 1.00 C ATOM 383 O VAL A 27 -21.180 -9.858 -0.559 1.00 1.00 O ATOM 384 CB VAL A 27 -20.868 -12.877 -0.829 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.501 -13.160 -0.210 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.544 -14.171 -1.249 1.00 1.00 C ATOM 0 H VAL A 27 -23.196 -11.543 -1.303 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.830 -12.596 1.095 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.712 -12.267 -1.719 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.893 -13.727 -0.915 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.004 -12.218 0.022 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.629 -13.737 0.706 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -20.891 -14.719 -1.928 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.744 -14.780 -0.367 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.483 -13.944 -1.754 1.00 1.00 H new ATOM 396 N PRO A 28 -20.656 -10.399 1.559 1.00 1.00 N ATOM 397 CA PRO A 28 -20.011 -9.129 1.833 1.00 1.00 C ATOM 398 C PRO A 28 -18.601 -9.072 1.228 1.00 1.00 C ATOM 399 O PRO A 28 -17.653 -9.712 1.712 1.00 1.00 O ATOM 400 CB PRO A 28 -19.951 -9.072 3.361 1.00 1.00 C ATOM 401 CG PRO A 28 -19.971 -10.497 3.804 1.00 1.00 C ATOM 402 CD PRO A 28 -20.688 -11.285 2.737 1.00 1.00 C ATOM 0 HA PRO A 28 -20.550 -8.288 1.397 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -19.048 -8.566 3.701 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.798 -8.520 3.769 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.957 -10.871 3.943 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.481 -10.595 4.763 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.189 -12.233 2.537 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.711 -11.519 3.033 1.00 1.00 H new ATOM 410 N VAL A 29 -18.478 -8.327 0.171 1.00 1.00 N ATOM 411 CA VAL A 29 -17.227 -8.147 -0.524 1.00 1.00 C ATOM 412 C VAL A 29 -16.743 -6.720 -0.317 1.00 1.00 C ATOM 413 O VAL A 29 -17.550 -5.795 -0.236 1.00 1.00 O ATOM 414 CB VAL A 29 -17.356 -8.460 -2.038 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.009 -8.380 -2.739 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.012 -9.821 -2.264 1.00 1.00 C ATOM 0 H VAL A 29 -19.256 -7.815 -0.245 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.501 -8.849 -0.113 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.001 -7.699 -2.477 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.136 -8.605 -3.798 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.600 -7.376 -2.628 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.324 -9.102 -2.294 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.090 -10.014 -3.334 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.407 -10.599 -1.798 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.008 -9.823 -1.822 1.00 1.00 H new ATOM 426 N LYS A 30 -15.448 -6.547 -0.170 1.00 1.00 N ATOM 427 CA LYS A 30 -14.902 -5.229 0.080 1.00 1.00 C ATOM 428 C LYS A 30 -14.485 -4.546 -1.196 1.00 1.00 C ATOM 429 O LYS A 30 -13.929 -5.175 -2.113 1.00 1.00 O ATOM 430 CB LYS A 30 -13.718 -5.276 1.025 1.00 1.00 C ATOM 431 CG LYS A 30 -14.045 -5.747 2.416 1.00 1.00 C ATOM 432 CD LYS A 30 -12.805 -5.717 3.265 1.00 1.00 C ATOM 433 CE LYS A 30 -13.078 -6.230 4.670 1.00 1.00 C ATOM 434 NZ LYS A 30 -11.868 -6.206 5.515 1.00 1.00 N ATOM 0 H LYS A 30 -14.757 -7.296 -0.219 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.703 -4.655 0.546 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -12.958 -5.933 0.602 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.279 -4.280 1.087 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -14.813 -5.110 2.855 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -14.450 -6.758 2.382 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -12.029 -6.325 2.799 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.423 -4.697 3.317 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -13.855 -5.622 5.133 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -13.461 -7.249 4.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -12.100 -6.564 6.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.134 -6.807 5.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.516 -5.230 5.590 1.00 1.00 H new ATOM 448 N VAL A 31 -14.750 -3.281 -1.236 1.00 1.00 N ATOM 449 CA VAL A 31 -14.428 -2.404 -2.358 1.00 1.00 C ATOM 450 C VAL A 31 -13.971 -1.065 -1.823 1.00 1.00 C ATOM 451 O VAL A 31 -14.022 -0.830 -0.606 1.00 1.00 O ATOM 452 CB VAL A 31 -15.638 -2.181 -3.320 1.00 1.00 C ATOM 453 CG1 VAL A 31 -15.944 -3.426 -4.112 1.00 1.00 C ATOM 454 CG2 VAL A 31 -16.870 -1.713 -2.561 1.00 1.00 C ATOM 0 H VAL A 31 -15.214 -2.794 -0.469 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.640 -2.890 -2.933 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.355 -1.395 -4.020 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -16.791 -3.238 -4.772 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -15.074 -3.701 -4.708 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.189 -4.240 -3.430 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -17.694 -1.567 -3.259 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -17.149 -2.464 -1.822 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -16.651 -0.772 -2.057 1.00 1.00 H new ATOM 464 N LEU A 32 -13.506 -0.205 -2.688 1.00 1.00 N ATOM 465 CA LEU A 32 -13.126 1.126 -2.274 1.00 1.00 C ATOM 466 C LEU A 32 -14.102 2.150 -2.759 1.00 1.00 C ATOM 467 O LEU A 32 -14.818 1.940 -3.730 1.00 1.00 O ATOM 468 CB LEU A 32 -11.725 1.536 -2.738 1.00 1.00 C ATOM 469 CG LEU A 32 -10.542 1.110 -1.882 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.312 1.876 -2.322 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.816 1.372 -0.411 1.00 1.00 C ATOM 0 H LEU A 32 -13.380 -0.397 -3.682 1.00 1.00 H new ATOM 0 HA LEU A 32 -13.125 1.089 -1.185 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.574 1.137 -3.741 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.704 2.623 -2.821 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.379 0.040 -2.010 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.459 1.576 -1.713 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.104 1.659 -3.370 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.486 2.945 -2.201 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.956 1.059 0.181 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.994 2.436 -0.258 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.695 0.809 -0.099 1.00 1.00 H new ATOM 483 N ASP A 33 -14.091 3.274 -2.082 1.00 1.00 N ATOM 484 CA ASP A 33 -14.918 4.440 -2.396 1.00 1.00 C ATOM 485 C ASP A 33 -14.618 4.927 -3.804 1.00 1.00 C ATOM 486 O ASP A 33 -15.515 5.435 -4.522 1.00 1.00 O ATOM 487 CB ASP A 33 -14.575 5.527 -1.369 1.00 1.00 C ATOM 488 CG ASP A 33 -15.289 6.845 -1.526 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.491 6.927 -1.237 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.619 7.837 -1.885 1.00 1.00 O ATOM 0 H ASP A 33 -13.491 3.418 -1.270 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.978 4.190 -2.350 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.791 5.138 -0.374 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.502 5.712 -1.413 1.00 1.00 H new ATOM 495 N CYS A 34 -13.353 4.715 -4.210 1.00 1.00 N ATOM 496 CA CYS A 34 -12.837 5.146 -5.494 1.00 1.00 C ATOM 497 C CYS A 34 -13.051 4.100 -6.584 1.00 1.00 C ATOM 498 O CYS A 34 -12.709 4.346 -7.749 1.00 1.00 O ATOM 499 CB CYS A 34 -11.351 5.470 -5.384 1.00 1.00 C ATOM 500 SG CYS A 34 -10.714 6.544 -6.690 1.00 1.00 S ATOM 0 H CYS A 34 -12.662 4.231 -3.637 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.392 6.040 -5.777 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.167 5.944 -4.420 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -10.788 4.537 -5.393 1.00 1.00 H new ATOM 0 HG CYS A 34 -9.887 7.407 -6.178 1.00 1.00 H new ATOM 506 N ASP A 35 -13.586 2.946 -6.241 1.00 1.00 N ATOM 507 CA ASP A 35 -13.855 1.968 -7.250 1.00 1.00 C ATOM 508 C ASP A 35 -15.040 2.443 -8.031 1.00 1.00 C ATOM 509 O ASP A 35 -16.044 2.892 -7.454 1.00 1.00 O ATOM 510 CB ASP A 35 -14.122 0.553 -6.663 1.00 1.00 C ATOM 511 CG ASP A 35 -12.853 -0.258 -6.388 1.00 1.00 C ATOM 512 OD1 ASP A 35 -12.160 0.021 -5.391 1.00 1.00 O ATOM 513 OD2 ASP A 35 -12.534 -1.195 -7.160 1.00 1.00 O ATOM 0 H ASP A 35 -13.835 2.675 -5.290 1.00 1.00 H new ATOM 0 HA ASP A 35 -12.976 1.865 -7.886 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.683 0.656 -5.734 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.753 -0.003 -7.356 1.00 1.00 H new ATOM 518 N THR A 36 -14.922 2.397 -9.319 1.00 1.00 N ATOM 519 CA THR A 36 -15.988 2.794 -10.180 1.00 1.00 C ATOM 520 C THR A 36 -17.045 1.730 -10.172 1.00 1.00 C ATOM 521 O THR A 36 -16.826 0.663 -9.630 1.00 1.00 O ATOM 522 CB THR A 36 -15.498 3.063 -11.625 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.868 1.898 -12.163 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.517 4.211 -11.648 1.00 1.00 C ATOM 0 H THR A 36 -14.082 2.082 -9.804 1.00 1.00 H new ATOM 0 HA THR A 36 -16.401 3.731 -9.807 1.00 1.00 H new ATOM 0 HB THR A 36 -16.366 3.319 -12.232 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.565 2.082 -13.077 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.184 4.385 -12.671 1.00 1.00 H new ATOM 0 HG22 THR A 36 -15.000 5.110 -11.266 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.658 3.968 -11.023 1.00 1.00 H new ATOM 532 N ILE A 37 -18.161 1.980 -10.771 1.00 1.00 N ATOM 533 CA ILE A 37 -19.245 1.043 -10.757 1.00 1.00 C ATOM 534 C ILE A 37 -18.832 -0.294 -11.392 1.00 1.00 C ATOM 535 O ILE A 37 -19.092 -1.343 -10.820 1.00 1.00 O ATOM 536 CB ILE A 37 -20.506 1.605 -11.439 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.901 2.931 -10.763 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.664 0.604 -11.362 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.142 2.834 -9.295 1.00 1.00 C ATOM 0 H ILE A 37 -18.352 2.839 -11.286 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.494 0.863 -9.711 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.288 1.782 -12.492 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.113 3.663 -10.940 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.803 3.312 -11.241 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.542 1.025 -11.851 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.379 -0.321 -11.863 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.895 0.395 -10.318 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.415 3.815 -8.905 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.952 2.130 -9.105 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.236 2.486 -8.800 1.00 1.00 H new ATOM 551 N SER A 38 -18.162 -0.252 -12.518 1.00 1.00 N ATOM 552 CA SER A 38 -17.711 -1.493 -13.112 1.00 1.00 C ATOM 553 C SER A 38 -16.558 -2.092 -12.296 1.00 1.00 C ATOM 554 O SER A 38 -16.467 -3.330 -12.142 1.00 1.00 O ATOM 555 CB SER A 38 -17.314 -1.318 -14.578 1.00 1.00 C ATOM 556 OG SER A 38 -17.353 -2.576 -15.259 1.00 1.00 O ATOM 0 H SER A 38 -17.921 0.597 -13.030 1.00 1.00 H new ATOM 0 HA SER A 38 -18.549 -2.189 -13.092 1.00 1.00 H new ATOM 0 HB2 SER A 38 -17.990 -0.614 -15.063 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.312 -0.894 -14.642 1.00 1.00 H new ATOM 0 HG SER A 38 -17.098 -2.448 -16.197 1.00 1.00 H new ATOM 562 N GLN A 39 -15.700 -1.220 -11.756 1.00 1.00 N ATOM 563 CA GLN A 39 -14.536 -1.626 -10.973 1.00 1.00 C ATOM 564 C GLN A 39 -14.963 -2.255 -9.636 1.00 1.00 C ATOM 565 O GLN A 39 -14.352 -3.178 -9.158 1.00 1.00 O ATOM 566 CB GLN A 39 -13.633 -0.421 -10.741 1.00 1.00 C ATOM 567 CG GLN A 39 -12.247 -0.726 -10.201 1.00 1.00 C ATOM 568 CD GLN A 39 -11.415 0.538 -10.014 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.584 0.628 -9.104 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.627 1.521 -10.863 1.00 1.00 N ATOM 0 H GLN A 39 -15.797 -0.209 -11.852 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.983 -2.383 -11.530 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.525 0.115 -11.684 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -14.132 0.254 -10.046 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.336 -1.246 -9.247 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.732 -1.401 -10.885 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.321 1.415 -11.603 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -11.098 2.389 -10.781 1.00 1.00 H new ATOM 579 N ALA A 40 -15.984 -1.730 -9.030 1.00 1.00 N ATOM 580 CA ALA A 40 -16.507 -2.309 -7.806 1.00 1.00 C ATOM 581 C ALA A 40 -17.254 -3.586 -8.100 1.00 1.00 C ATOM 582 O ALA A 40 -17.122 -4.578 -7.389 1.00 1.00 O ATOM 583 CB ALA A 40 -17.355 -1.322 -7.025 1.00 1.00 C ATOM 0 H ALA A 40 -16.480 -0.900 -9.355 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.660 -2.556 -7.167 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.725 -1.799 -6.117 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -16.751 -0.454 -6.759 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.199 -1.003 -7.637 1.00 1.00 H new ATOM 589 N LYS A 41 -17.995 -3.566 -9.190 1.00 1.00 N ATOM 590 CA LYS A 41 -18.757 -4.714 -9.647 1.00 1.00 C ATOM 591 C LYS A 41 -17.835 -5.901 -9.880 1.00 1.00 C ATOM 592 O LYS A 41 -18.194 -7.047 -9.614 1.00 1.00 O ATOM 593 CB LYS A 41 -19.479 -4.348 -10.958 1.00 1.00 C ATOM 594 CG LYS A 41 -20.376 -5.433 -11.544 1.00 1.00 C ATOM 595 CD LYS A 41 -19.657 -6.190 -12.668 1.00 1.00 C ATOM 596 CE LYS A 41 -19.336 -5.292 -13.860 1.00 1.00 C ATOM 597 NZ LYS A 41 -17.873 -5.058 -14.026 1.00 1.00 N ATOM 0 H LYS A 41 -18.087 -2.746 -9.790 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.488 -4.988 -8.886 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -20.084 -3.458 -10.782 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -18.729 -4.081 -11.702 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.669 -6.131 -10.760 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -21.291 -4.984 -11.930 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -18.733 -6.619 -12.280 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -20.280 -7.021 -12.999 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -19.733 -5.745 -14.768 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -19.841 -4.334 -13.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -17.721 -4.207 -14.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -17.434 -4.926 -13.092 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -17.442 -5.878 -14.498 1.00 1.00 H new ATOM 611 N GLU A 42 -16.638 -5.612 -10.361 1.00 1.00 N ATOM 612 CA GLU A 42 -15.701 -6.619 -10.690 1.00 1.00 C ATOM 613 C GLU A 42 -15.220 -7.304 -9.434 1.00 1.00 C ATOM 614 O GLU A 42 -15.087 -8.496 -9.406 1.00 1.00 O ATOM 615 CB GLU A 42 -14.545 -6.005 -11.461 1.00 1.00 C ATOM 616 CG GLU A 42 -13.463 -5.408 -10.612 1.00 1.00 C ATOM 617 CD GLU A 42 -12.140 -5.315 -11.264 1.00 1.00 C ATOM 618 OE1 GLU A 42 -11.949 -5.924 -12.321 1.00 1.00 O ATOM 619 OE2 GLU A 42 -11.260 -4.626 -10.708 1.00 1.00 O ATOM 0 H GLU A 42 -16.308 -4.661 -10.527 1.00 1.00 H new ATOM 0 HA GLU A 42 -16.174 -7.370 -11.322 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -14.105 -6.772 -12.098 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -14.938 -5.231 -12.120 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -13.772 -4.409 -10.305 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -13.363 -6.003 -9.704 1.00 1.00 H new ATOM 626 N LYS A 43 -15.000 -6.509 -8.404 1.00 1.00 N ATOM 627 CA LYS A 43 -14.502 -6.993 -7.128 1.00 1.00 C ATOM 628 C LYS A 43 -15.503 -7.928 -6.498 1.00 1.00 C ATOM 629 O LYS A 43 -15.134 -8.968 -5.936 1.00 1.00 O ATOM 630 CB LYS A 43 -14.245 -5.834 -6.159 1.00 1.00 C ATOM 631 CG LYS A 43 -13.226 -4.796 -6.614 1.00 1.00 C ATOM 632 CD LYS A 43 -11.857 -5.398 -6.869 1.00 1.00 C ATOM 633 CE LYS A 43 -10.829 -4.312 -7.178 1.00 1.00 C ATOM 634 NZ LYS A 43 -11.258 -3.398 -8.268 1.00 1.00 N ATOM 0 H LYS A 43 -15.163 -5.502 -8.428 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.566 -7.517 -7.320 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.191 -5.327 -5.971 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -13.911 -6.249 -5.208 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.583 -4.316 -7.525 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -13.141 -4.018 -5.855 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.538 -5.967 -5.996 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -11.913 -6.098 -7.703 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.642 -3.730 -6.276 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -9.885 -4.782 -7.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -10.451 -2.817 -8.571 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.604 -3.957 -9.074 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.020 -2.780 -7.923 1.00 1.00 H new ATOM 648 N MET A 44 -16.774 -7.549 -6.598 1.00 1.00 N ATOM 649 CA MET A 44 -17.858 -8.307 -5.995 1.00 1.00 C ATOM 650 C MET A 44 -17.929 -9.706 -6.586 1.00 1.00 C ATOM 651 O MET A 44 -17.988 -10.700 -5.864 1.00 1.00 O ATOM 652 CB MET A 44 -19.199 -7.603 -6.247 1.00 1.00 C ATOM 653 CG MET A 44 -19.251 -6.151 -5.800 1.00 1.00 C ATOM 654 SD MET A 44 -18.783 -5.927 -4.086 1.00 1.00 S ATOM 655 CE MET A 44 -20.046 -6.876 -3.280 1.00 1.00 C ATOM 0 H MET A 44 -17.077 -6.712 -7.097 1.00 1.00 H new ATOM 0 HA MET A 44 -17.665 -8.373 -4.924 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.422 -7.649 -7.313 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.985 -8.155 -5.733 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.589 -5.559 -6.432 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.260 -5.767 -5.948 1.00 1.00 H new ATOM 0 HE1 MET A 44 -19.995 -6.710 -2.204 1.00 1.00 H new ATOM 0 HE2 MET A 44 -21.024 -6.567 -3.649 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.896 -7.935 -3.491 1.00 1.00 H new ATOM 665 N LEU A 45 -17.900 -9.779 -7.906 1.00 1.00 N ATOM 666 CA LEU A 45 -17.955 -11.058 -8.577 1.00 1.00 C ATOM 667 C LEU A 45 -16.624 -11.795 -8.540 1.00 1.00 C ATOM 668 O LEU A 45 -16.595 -13.000 -8.613 1.00 1.00 O ATOM 669 CB LEU A 45 -18.574 -10.977 -9.994 1.00 1.00 C ATOM 670 CG LEU A 45 -18.032 -9.923 -10.961 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.704 -10.343 -11.538 1.00 1.00 C ATOM 672 CD2 LEU A 45 -19.030 -9.672 -12.075 1.00 1.00 C ATOM 0 H LEU A 45 -17.839 -8.972 -8.527 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.648 -11.670 -8.000 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.456 -11.953 -10.465 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.644 -10.805 -9.880 1.00 1.00 H new ATOM 0 HG LEU A 45 -17.881 -8.999 -10.402 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -16.345 -9.574 -12.221 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.983 -10.478 -10.732 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.823 -11.282 -12.079 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -18.633 -8.920 -12.757 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -19.207 -10.599 -12.621 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -19.968 -9.316 -11.650 1.00 1.00 H new ATOM 684 N ASP A 46 -15.536 -11.042 -8.398 1.00 1.00 N ATOM 685 CA ASP A 46 -14.131 -11.555 -8.384 1.00 1.00 C ATOM 686 C ASP A 46 -13.940 -12.672 -7.368 1.00 1.00 C ATOM 687 O ASP A 46 -13.110 -13.538 -7.547 1.00 1.00 O ATOM 688 CB ASP A 46 -13.155 -10.400 -8.076 1.00 1.00 C ATOM 689 CG ASP A 46 -11.717 -10.827 -7.877 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.041 -11.179 -8.871 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.225 -10.780 -6.716 1.00 1.00 O ATOM 0 H ASP A 46 -15.587 -10.030 -8.285 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.922 -11.967 -9.371 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.197 -9.679 -8.893 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.495 -9.884 -7.178 1.00 1.00 H new ATOM 696 N GLN A 47 -14.715 -12.643 -6.321 1.00 1.00 N ATOM 697 CA GLN A 47 -14.638 -13.654 -5.285 1.00 1.00 C ATOM 698 C GLN A 47 -15.089 -15.011 -5.831 1.00 1.00 C ATOM 699 O GLN A 47 -14.546 -16.049 -5.486 1.00 1.00 O ATOM 700 CB GLN A 47 -15.511 -13.259 -4.093 1.00 1.00 C ATOM 701 CG GLN A 47 -15.185 -11.898 -3.480 1.00 1.00 C ATOM 702 CD GLN A 47 -13.791 -11.791 -2.870 1.00 1.00 C ATOM 703 OE1 GLN A 47 -12.849 -12.465 -3.279 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.665 -10.951 -1.877 1.00 1.00 N ATOM 0 H GLN A 47 -15.419 -11.923 -6.154 1.00 1.00 H new ATOM 0 HA GLN A 47 -13.602 -13.732 -4.956 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.554 -13.258 -4.410 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.413 -14.022 -3.321 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.289 -11.134 -4.250 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.922 -11.676 -2.708 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.469 -10.407 -1.564 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.762 -10.839 -1.415 1.00 1.00 H new ATOM 713 N LEU A 48 -16.083 -14.980 -6.692 1.00 1.00 N ATOM 714 CA LEU A 48 -16.660 -16.188 -7.258 1.00 1.00 C ATOM 715 C LEU A 48 -16.015 -16.479 -8.591 1.00 1.00 C ATOM 716 O LEU A 48 -15.674 -17.609 -8.906 1.00 1.00 O ATOM 717 CB LEU A 48 -18.185 -16.018 -7.448 1.00 1.00 C ATOM 718 CG LEU A 48 -19.047 -15.887 -6.172 1.00 1.00 C ATOM 719 CD1 LEU A 48 -18.591 -16.853 -5.090 1.00 1.00 C ATOM 720 CD2 LEU A 48 -19.054 -14.450 -5.655 1.00 1.00 C ATOM 0 H LEU A 48 -16.517 -14.118 -7.022 1.00 1.00 H new ATOM 0 HA LEU A 48 -16.480 -17.018 -6.574 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -18.352 -15.132 -8.061 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -18.552 -16.873 -8.017 1.00 1.00 H new ATOM 0 HG LEU A 48 -20.070 -16.152 -6.441 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -19.219 -16.733 -4.207 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -18.673 -17.876 -5.458 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -17.554 -16.643 -4.828 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -19.669 -14.389 -4.757 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -18.035 -14.143 -5.419 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -19.463 -13.790 -6.420 1.00 1.00 H new ATOM 964 N LEU A 63 -26.265 -4.689 -18.790 1.00 1.00 N ATOM 965 CA LEU A 63 -27.031 -4.926 -17.603 1.00 1.00 C ATOM 966 C LEU A 63 -26.985 -3.698 -16.734 1.00 1.00 C ATOM 967 O LEU A 63 -26.142 -2.876 -16.918 1.00 1.00 O ATOM 968 CB LEU A 63 -26.518 -6.178 -16.864 1.00 1.00 C ATOM 969 CG LEU A 63 -25.082 -6.138 -16.314 1.00 1.00 C ATOM 970 CD1 LEU A 63 -25.044 -5.517 -14.925 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.496 -7.533 -16.292 1.00 1.00 C ATOM 0 HA LEU A 63 -28.070 -5.122 -17.867 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -27.192 -6.377 -16.031 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -26.594 -7.026 -17.545 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.479 -5.513 -16.973 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -24.017 -5.502 -14.561 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -25.428 -4.498 -14.972 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.661 -6.106 -14.246 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.479 -7.494 -15.901 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.106 -8.174 -15.655 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.480 -7.937 -17.304 1.00 1.00 H new ATOM 983 N ASP A 64 -27.883 -3.579 -15.824 1.00 1.00 N ATOM 984 CA ASP A 64 -27.930 -2.409 -14.968 1.00 1.00 C ATOM 985 C ASP A 64 -27.666 -2.875 -13.540 1.00 1.00 C ATOM 986 O ASP A 64 -27.944 -4.038 -13.218 1.00 1.00 O ATOM 987 CB ASP A 64 -29.327 -1.739 -15.054 1.00 1.00 C ATOM 988 CG ASP A 64 -29.864 -1.550 -16.481 1.00 1.00 C ATOM 989 OD1 ASP A 64 -30.507 -2.491 -17.018 1.00 1.00 O ATOM 990 OD2 ASP A 64 -29.677 -0.467 -17.081 1.00 1.00 O ATOM 0 H ASP A 64 -28.608 -4.272 -15.638 1.00 1.00 H new ATOM 0 HA ASP A 64 -27.184 -1.678 -15.280 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -30.039 -2.342 -14.490 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -29.278 -0.765 -14.567 1.00 1.00 H new ATOM 995 N VAL A 65 -27.122 -2.031 -12.683 1.00 1.00 N ATOM 996 CA VAL A 65 -26.925 -2.457 -11.313 1.00 1.00 C ATOM 997 C VAL A 65 -27.777 -1.615 -10.375 1.00 1.00 C ATOM 998 O VAL A 65 -27.733 -0.395 -10.406 1.00 1.00 O ATOM 999 CB VAL A 65 -25.402 -2.462 -10.873 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.814 -1.066 -10.730 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.205 -3.250 -9.585 1.00 1.00 C ATOM 0 H VAL A 65 -26.819 -1.082 -12.900 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.250 -3.495 -11.249 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.860 -2.954 -11.681 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.770 -1.140 -10.427 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.878 -0.544 -11.685 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.372 -0.512 -9.976 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.151 -3.236 -9.308 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.796 -2.798 -8.788 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.527 -4.280 -9.736 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.575 -2.260 -9.568 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.357 -1.545 -8.634 1.00 1.00 C ATOM 1013 C GLU A 66 -28.598 -1.504 -7.361 1.00 1.00 C ATOM 1014 O GLU A 66 -28.378 -2.528 -6.710 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.725 -2.180 -8.418 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.606 -1.374 -7.478 1.00 1.00 C ATOM 1017 CD GLU A 66 -32.956 -1.979 -7.259 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.030 -3.140 -6.831 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -33.975 -1.277 -7.470 1.00 1.00 O ATOM 0 H GLU A 66 -28.691 -3.273 -9.548 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.545 -0.541 -9.014 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.228 -2.285 -9.379 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.595 -3.184 -8.015 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.102 -1.274 -6.517 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.728 -0.368 -7.880 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.196 -0.352 -7.013 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.469 -0.168 -5.845 1.00 1.00 C ATOM 1028 C TRP A 67 -28.411 0.187 -4.736 1.00 1.00 C ATOM 1029 O TRP A 67 -29.170 1.151 -4.824 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.448 0.921 -6.023 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.401 0.884 -4.981 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.595 1.049 -3.651 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.005 0.672 -5.169 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.446 0.932 -2.981 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.419 0.707 -3.903 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.194 0.445 -6.293 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.044 0.534 -3.724 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -21.841 0.272 -6.111 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.279 0.326 -4.838 1.00 1.00 C ATOM 0 H TRP A 67 -28.369 0.501 -7.545 1.00 1.00 H new ATOM 0 HA TRP A 67 -26.942 -1.090 -5.601 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -25.984 0.824 -7.005 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -26.946 1.890 -6.000 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.552 1.249 -3.193 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.336 0.996 -1.969 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.625 0.407 -7.283 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.601 0.564 -2.740 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.207 0.092 -6.966 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.212 0.200 -4.728 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.355 -0.566 -3.707 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.172 -0.370 -2.588 1.00 1.00 C ATOM 1052 C ARG A 68 -28.283 0.115 -1.475 1.00 1.00 C ATOM 1053 O ARG A 68 -27.686 -0.661 -0.733 1.00 1.00 O ATOM 1054 CB ARG A 68 -29.875 -1.687 -2.241 1.00 1.00 C ATOM 1055 CG ARG A 68 -30.687 -2.224 -3.417 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.329 -3.563 -3.130 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.041 -4.061 -4.319 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.745 -5.189 -4.389 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -32.850 -5.994 -3.339 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.362 -5.490 -5.516 1.00 1.00 N ATOM 0 H ARG A 68 -27.718 -1.358 -3.623 1.00 1.00 H new ATOM 0 HA ARG A 68 -29.953 0.368 -2.769 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.133 -2.428 -1.944 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -30.533 -1.533 -1.385 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -31.463 -1.503 -3.675 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.037 -2.318 -4.287 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -30.566 -4.281 -2.829 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.024 -3.468 -2.296 1.00 1.00 H new ATOM 0 HE ARG A 68 -31.990 -3.491 -5.164 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -32.388 -5.752 -2.463 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.393 -6.855 -3.408 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.296 -4.862 -6.317 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -33.905 -6.350 -5.586 1.00 1.00 H new ATOM 1074 N SER A 69 -28.149 1.406 -1.418 1.00 1.00 N ATOM 1075 CA SER A 69 -27.332 2.064 -0.433 1.00 1.00 C ATOM 1076 C SER A 69 -28.116 2.259 0.844 1.00 1.00 C ATOM 1077 O SER A 69 -27.566 2.596 1.882 1.00 1.00 O ATOM 1078 CB SER A 69 -26.866 3.410 -0.991 1.00 1.00 C ATOM 1079 OG SER A 69 -27.966 4.158 -1.498 1.00 1.00 O ATOM 0 H SER A 69 -28.611 2.046 -2.064 1.00 1.00 H new ATOM 0 HA SER A 69 -26.461 1.450 -0.206 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.364 3.979 -0.208 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.136 3.246 -1.784 1.00 1.00 H new ATOM 0 HG SER A 69 -27.783 4.422 -2.424 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.403 2.070 0.739 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.299 2.211 1.883 1.00 1.00 C ATOM 1087 C GLY A 70 -30.600 3.668 2.209 1.00 1.00 C ATOM 1088 O GLY A 70 -31.752 4.081 2.218 1.00 1.00 O ATOM 0 H GLY A 70 -29.870 1.815 -0.131 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.232 1.687 1.677 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -29.851 1.732 2.753 1.00 1.00 H new ATOM 1092 N VAL A 71 -29.547 4.444 2.432 1.00 1.00 N ATOM 1093 CA VAL A 71 -29.659 5.864 2.749 1.00 1.00 C ATOM 1094 C VAL A 71 -30.266 6.645 1.587 1.00 1.00 C ATOM 1095 O VAL A 71 -31.081 7.533 1.786 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.294 6.485 3.165 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -27.834 5.908 4.491 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.228 6.259 2.097 1.00 1.00 C ATOM 0 H VAL A 71 -28.586 4.105 2.398 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.329 5.939 3.606 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.439 7.560 3.273 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -26.878 6.352 4.769 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -28.574 6.129 5.260 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -27.719 4.828 4.398 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.288 6.706 2.421 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.087 5.189 1.944 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -27.546 6.721 1.162 1.00 1.00 H new ATOM 1108 N ALA A 72 -29.858 6.313 0.382 1.00 1.00 N ATOM 1109 CA ALA A 72 -30.418 6.936 -0.791 1.00 1.00 C ATOM 1110 C ALA A 72 -31.518 6.048 -1.346 1.00 1.00 C ATOM 1111 O ALA A 72 -32.290 6.444 -2.215 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.336 7.183 -1.829 1.00 1.00 C ATOM 0 H ALA A 72 -29.140 5.614 0.191 1.00 1.00 H new ATOM 0 HA ALA A 72 -30.844 7.903 -0.525 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -29.776 7.654 -2.708 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -28.573 7.839 -1.410 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -28.882 6.234 -2.114 1.00 1.00 H new ATOM 1118 N GLY A 73 -31.584 4.848 -0.818 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.551 3.890 -1.239 1.00 1.00 C ATOM 1120 C GLY A 73 -31.950 2.890 -2.188 1.00 1.00 C ATOM 1121 O GLY A 73 -30.896 2.294 -1.901 1.00 1.00 O ATOM 0 H GLY A 73 -30.961 4.518 -0.081 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -32.956 3.372 -0.370 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.384 4.399 -1.723 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.591 2.720 -3.306 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.147 1.800 -4.335 1.00 1.00 C ATOM 1127 C HIS A 74 -32.135 2.503 -5.687 1.00 1.00 C ATOM 1128 O HIS A 74 -33.179 2.775 -6.274 1.00 1.00 O ATOM 1129 CB HIS A 74 -32.978 0.478 -4.354 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.479 0.611 -4.524 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.179 0.016 -5.547 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.404 1.248 -3.774 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.461 0.278 -5.416 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.622 1.024 -4.349 1.00 1.00 N ATOM 0 H HIS A 74 -33.449 3.218 -3.541 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.127 1.494 -4.102 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.600 -0.148 -5.162 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -32.788 -0.055 -3.422 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.767 -0.543 -6.294 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.215 1.828 -2.883 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.247 -0.063 -6.074 1.00 1.00 H new ATOM 1143 N LEU A 75 -30.954 2.770 -6.172 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.746 3.548 -7.363 1.00 1.00 C ATOM 1145 C LEU A 75 -30.079 2.693 -8.375 1.00 1.00 C ATOM 1146 O LEU A 75 -29.362 1.774 -8.021 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.832 4.747 -7.068 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.443 5.932 -6.321 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -30.583 5.626 -4.844 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -29.601 7.169 -6.520 1.00 1.00 C ATOM 0 H LEU A 75 -30.089 2.445 -5.740 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.709 3.909 -7.725 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -28.981 4.387 -6.490 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.440 5.113 -8.017 1.00 1.00 H new ATOM 0 HG LEU A 75 -31.438 6.114 -6.728 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -31.020 6.485 -4.334 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.229 4.758 -4.712 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -29.601 5.415 -4.421 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.049 8.004 -5.982 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -28.595 6.990 -6.140 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.550 7.407 -7.582 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.293 2.962 -9.615 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.646 2.189 -10.618 1.00 1.00 C ATOM 1164 C ILE A 76 -28.376 2.901 -11.014 1.00 1.00 C ATOM 1165 O ILE A 76 -28.404 4.052 -11.424 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.525 1.974 -11.863 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.991 1.671 -11.476 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.949 0.831 -12.690 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.162 0.505 -10.524 1.00 1.00 C ATOM 0 H ILE A 76 -30.904 3.703 -9.958 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.438 1.202 -10.205 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.526 2.892 -12.451 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.425 2.562 -11.021 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.559 1.468 -12.384 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.567 0.674 -13.574 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.933 1.080 -12.998 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.934 -0.080 -12.091 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.221 0.365 -10.307 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.762 -0.400 -10.981 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.626 0.710 -9.597 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.283 2.230 -10.841 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.973 2.780 -11.123 1.00 1.00 C ATOM 1183 C LEU A 77 -25.303 2.113 -12.333 1.00 1.00 C ATOM 1184 O LEU A 77 -25.742 1.051 -12.813 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.058 2.625 -9.900 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.181 3.658 -8.765 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.582 3.718 -8.202 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.223 3.313 -7.672 1.00 1.00 C ATOM 0 H LEU A 77 -27.262 1.270 -10.496 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.120 3.834 -11.357 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.237 1.638 -9.473 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.026 2.638 -10.252 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.947 4.638 -9.182 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.622 4.460 -7.404 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.280 3.996 -8.992 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.856 2.741 -7.803 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.310 4.044 -6.868 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.454 2.320 -7.286 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.206 3.323 -8.063 1.00 1.00 H new ATOM 1200 N SER A 78 -24.269 2.765 -12.816 1.00 1.00 N ATOM 1201 CA SER A 78 -23.406 2.303 -13.864 1.00 1.00 C ATOM 1202 C SER A 78 -22.233 3.213 -13.830 1.00 1.00 C ATOM 1203 O SER A 78 -22.327 4.322 -13.292 1.00 1.00 O ATOM 1204 CB SER A 78 -24.042 2.417 -15.231 1.00 1.00 C ATOM 1205 OG SER A 78 -23.446 1.509 -16.161 1.00 1.00 O ATOM 0 H SER A 78 -23.998 3.683 -12.463 1.00 1.00 H new ATOM 0 HA SER A 78 -23.164 1.252 -13.708 1.00 1.00 H new ATOM 0 HB2 SER A 78 -25.110 2.214 -15.155 1.00 1.00 H new ATOM 0 HB3 SER A 78 -23.937 3.438 -15.599 1.00 1.00 H new ATOM 0 HG SER A 78 -23.879 1.605 -17.035 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.125 2.786 -14.345 1.00 1.00 N ATOM 1212 CA ASP A 79 -19.993 3.655 -14.376 1.00 1.00 C ATOM 1213 C ASP A 79 -20.122 4.643 -15.498 1.00 1.00 C ATOM 1214 O ASP A 79 -19.513 5.686 -15.477 1.00 1.00 O ATOM 1215 CB ASP A 79 -18.671 2.914 -14.388 1.00 1.00 C ATOM 1216 CG ASP A 79 -18.542 1.887 -15.469 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.356 0.959 -15.510 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -17.606 1.970 -16.278 1.00 1.00 O ATOM 0 H ASP A 79 -20.980 1.858 -14.743 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.984 4.215 -13.441 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -17.864 3.639 -14.496 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.534 2.426 -13.423 1.00 1.00 H new ATOM 1223 N GLU A 80 -20.956 4.313 -16.444 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.296 5.194 -17.525 1.00 1.00 C ATOM 1225 C GLU A 80 -22.795 5.205 -17.679 1.00 1.00 C ATOM 1226 O GLU A 80 -23.352 4.535 -18.543 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.580 4.842 -18.850 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.090 5.170 -18.839 1.00 1.00 C ATOM 1229 CD GLU A 80 -18.371 4.809 -20.131 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -17.994 3.633 -20.317 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -18.140 5.688 -20.965 1.00 1.00 O ATOM 0 H GLU A 80 -21.426 3.409 -16.486 1.00 1.00 H new ATOM 0 HA GLU A 80 -20.942 6.195 -17.278 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.709 3.779 -19.053 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.058 5.383 -19.667 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -18.964 6.236 -18.650 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -18.617 4.641 -18.011 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.623 8.304 -15.239 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.057 7.073 -14.613 1.00 1.00 C ATOM 1435 C LEU A 93 -17.652 7.381 -13.246 1.00 1.00 C ATOM 1436 O LEU A 93 -17.250 8.370 -12.594 1.00 1.00 O ATOM 1437 CB LEU A 93 -15.884 6.112 -14.456 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.218 5.635 -15.748 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -13.975 4.827 -15.430 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.182 4.809 -16.570 1.00 1.00 C ATOM 0 HA LEU A 93 -17.811 6.604 -15.245 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.126 6.596 -13.839 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.231 5.237 -13.907 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.930 6.510 -16.330 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.511 4.494 -16.358 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.271 5.446 -14.874 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.249 3.960 -14.829 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.690 4.479 -17.485 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.499 3.939 -15.994 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.053 5.413 -16.824 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.615 6.580 -12.811 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.216 6.787 -11.514 1.00 1.00 C ATOM 1454 C ASN A 94 -18.603 5.861 -10.505 1.00 1.00 C ATOM 1455 O ASN A 94 -18.290 4.721 -10.819 1.00 1.00 O ATOM 1456 CB ASN A 94 -20.735 6.581 -11.560 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.480 7.739 -12.198 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -21.069 8.895 -12.091 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.570 7.449 -12.854 1.00 1.00 N ATOM 0 H ASN A 94 -18.990 5.790 -13.336 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.025 7.819 -11.219 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -20.954 5.668 -12.114 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.106 6.435 -10.545 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.111 8.191 -13.298 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.881 6.480 -12.923 1.00 1.00 H new ATOM 1466 N THR A 95 -18.393 6.368 -9.324 1.00 1.00 N ATOM 1467 CA THR A 95 -17.873 5.650 -8.206 1.00 1.00 C ATOM 1468 C THR A 95 -18.956 5.504 -7.174 1.00 1.00 C ATOM 1469 O THR A 95 -20.035 6.110 -7.317 1.00 1.00 O ATOM 1470 CB THR A 95 -16.797 6.504 -7.594 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.159 7.885 -7.810 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.462 6.224 -8.198 1.00 1.00 C ATOM 0 H THR A 95 -18.592 7.345 -9.109 1.00 1.00 H new ATOM 0 HA THR A 95 -17.502 4.673 -8.517 1.00 1.00 H new ATOM 0 HB THR A 95 -16.718 6.282 -6.530 1.00 1.00 H new ATOM 0 HG1 THR A 95 -16.347 8.429 -7.878 1.00 1.00 H new ATOM 0 HG21 THR A 95 -14.710 6.860 -7.730 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.202 5.178 -8.038 1.00 1.00 H new ATOM 0 HG23 THR A 95 -15.496 6.430 -9.268 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.698 4.744 -6.127 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.667 4.665 -5.060 1.00 1.00 C ATOM 1482 C LEU A 96 -19.672 5.967 -4.284 1.00 1.00 C ATOM 1483 O LEU A 96 -20.662 6.305 -3.644 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.511 3.410 -4.155 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.298 3.308 -3.212 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.522 4.069 -1.902 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.989 1.853 -2.923 1.00 1.00 C ATOM 0 H LEU A 96 -17.852 4.190 -5.996 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.649 4.529 -5.513 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.410 3.334 -3.543 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.494 2.536 -4.806 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.449 3.770 -3.716 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.641 3.969 -1.268 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.696 5.123 -2.119 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.389 3.657 -1.386 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.130 1.789 -2.255 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.852 1.385 -2.450 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.763 1.337 -3.856 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.552 6.715 -4.363 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.478 8.048 -3.739 1.00 1.00 C ATOM 1501 C GLN A 97 -19.433 9.027 -4.409 1.00 1.00 C ATOM 1502 O GLN A 97 -19.863 9.993 -3.799 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.064 8.609 -3.782 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.608 9.159 -5.130 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.122 9.037 -5.317 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.473 9.908 -5.892 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.603 7.923 -4.900 1.00 1.00 N ATOM 0 H GLN A 97 -17.701 6.424 -4.844 1.00 1.00 H new ATOM 0 HA GLN A 97 -18.772 7.923 -2.697 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -16.987 9.405 -3.041 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.372 7.823 -3.479 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.119 8.624 -5.931 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -16.898 10.207 -5.211 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.188 7.233 -4.428 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.610 7.737 -5.044 1.00 1.00 H new ATOM 1516 N HIS A 98 -19.739 8.778 -5.675 1.00 1.00 N ATOM 1517 CA HIS A 98 -20.637 9.646 -6.429 1.00 1.00 C ATOM 1518 C HIS A 98 -22.035 9.558 -5.848 1.00 1.00 C ATOM 1519 O HIS A 98 -22.728 10.547 -5.734 1.00 1.00 O ATOM 1520 CB HIS A 98 -20.641 9.274 -7.930 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.478 10.185 -8.811 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -20.977 11.309 -9.428 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -22.780 10.109 -9.190 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -21.930 11.885 -10.139 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -23.032 11.174 -10.010 1.00 1.00 N ATOM 0 H HIS A 98 -19.379 7.983 -6.203 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.282 10.673 -6.348 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -19.614 9.283 -8.295 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.008 8.253 -8.036 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -23.487 9.347 -8.897 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -21.824 12.785 -10.726 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -23.928 11.384 -10.450 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.430 8.353 -5.493 1.00 1.00 N ATOM 1535 CA TYR A 99 -23.745 8.112 -4.931 1.00 1.00 C ATOM 1536 C TYR A 99 -23.702 8.051 -3.396 1.00 1.00 C ATOM 1537 O TYR A 99 -24.734 7.873 -2.747 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.332 6.831 -5.528 1.00 1.00 C ATOM 1539 CG TYR A 99 -24.659 6.945 -7.020 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -23.680 6.747 -8.003 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -25.941 7.259 -7.438 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -23.991 6.858 -9.357 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.256 7.370 -8.782 1.00 1.00 C ATOM 1544 CZ TYR A 99 -25.282 7.172 -9.740 1.00 1.00 C ATOM 1545 OH TYR A 99 -25.604 7.301 -11.089 1.00 1.00 O ATOM 0 H TYR A 99 -21.853 7.517 -5.585 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.394 8.948 -5.191 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -23.625 6.014 -5.381 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.240 6.569 -4.984 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -22.670 6.505 -7.707 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -26.712 7.421 -6.700 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -23.227 6.699 -10.104 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.265 7.612 -9.081 1.00 1.00 H new ATOM 0 HH TYR A 99 -26.554 7.523 -11.179 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.491 8.197 -2.844 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.219 8.219 -1.399 1.00 1.00 C ATOM 1557 C LYS A 100 -22.876 7.081 -0.640 1.00 1.00 C ATOM 1558 O LYS A 100 -23.747 7.303 0.201 1.00 1.00 O ATOM 1559 CB LYS A 100 -22.576 9.573 -0.766 1.00 1.00 C ATOM 1560 CG LYS A 100 -21.623 10.709 -1.120 1.00 1.00 C ATOM 1561 CD LYS A 100 -20.199 10.462 -0.604 1.00 1.00 C ATOM 1562 CE LYS A 100 -20.108 10.521 0.918 1.00 1.00 C ATOM 1563 NZ LYS A 100 -20.317 9.194 1.553 1.00 1.00 N ATOM 0 H LYS A 100 -21.647 8.306 -3.406 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.143 8.072 -1.310 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -23.583 9.851 -1.077 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.597 9.458 0.318 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -21.597 10.834 -2.203 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -22.002 11.641 -0.701 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.856 9.486 -0.947 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.527 11.205 -1.034 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -19.130 10.908 1.205 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -20.852 11.222 1.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -20.988 9.288 2.342 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -20.700 8.529 0.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -19.410 8.834 1.912 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.486 5.874 -0.938 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.070 4.753 -0.235 1.00 1.00 C ATOM 1579 C VAL A 101 -22.373 4.467 1.100 1.00 1.00 C ATOM 1580 O VAL A 101 -21.162 4.693 1.254 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.164 3.465 -1.093 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.368 3.797 -2.550 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -21.977 2.512 -0.886 1.00 1.00 C ATOM 0 H VAL A 101 -21.786 5.638 -1.642 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.092 5.063 -0.019 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.043 2.923 -0.743 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.430 2.875 -3.128 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.292 4.363 -2.668 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.529 4.394 -2.908 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.104 1.631 -1.515 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.051 3.020 -1.156 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -21.933 2.208 0.160 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.137 4.011 2.090 1.00 1.00 N ATOM 1594 CA PRO A 102 -22.609 3.632 3.384 1.00 1.00 C ATOM 1595 C PRO A 102 -22.000 2.252 3.359 1.00 1.00 C ATOM 1596 O PRO A 102 -22.309 1.431 2.477 1.00 1.00 O ATOM 1597 CB PRO A 102 -23.835 3.657 4.284 1.00 1.00 C ATOM 1598 CG PRO A 102 -24.945 3.271 3.379 1.00 1.00 C ATOM 1599 CD PRO A 102 -24.591 3.823 2.023 1.00 1.00 C ATOM 0 HA PRO A 102 -21.810 4.295 3.716 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -23.735 2.959 5.115 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -23.995 4.645 4.715 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.058 2.188 3.341 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -25.893 3.678 3.730 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -24.869 3.134 1.226 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.107 4.763 1.826 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.129 1.997 4.300 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.548 0.698 4.436 1.00 1.00 C ATOM 1609 C ASP A 103 -21.626 -0.277 4.830 1.00 1.00 C ATOM 1610 O ASP A 103 -22.352 -0.081 5.815 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.345 0.677 5.422 1.00 1.00 C ATOM 1612 CG ASP A 103 -19.719 0.860 6.882 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -19.924 2.019 7.327 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -19.806 -0.141 7.613 1.00 1.00 O ATOM 0 H ASP A 103 -20.808 2.681 4.985 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.129 0.400 3.475 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -18.819 -0.271 5.312 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -18.646 1.464 5.138 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.778 -1.274 4.030 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.788 -2.261 4.271 1.00 1.00 C ATOM 1621 C GLY A 104 -23.886 -2.170 3.245 1.00 1.00 C ATOM 1622 O GLY A 104 -24.967 -2.741 3.425 1.00 1.00 O ATOM 0 H GLY A 104 -21.214 -1.434 3.195 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.343 -3.256 4.246 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.205 -2.124 5.269 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.618 -1.447 2.154 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.584 -1.298 1.092 1.00 1.00 C ATOM 1628 C ALA A 105 -24.743 -2.608 0.318 1.00 1.00 C ATOM 1629 O ALA A 105 -23.901 -3.499 0.393 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.199 -0.165 0.168 1.00 1.00 C ATOM 0 H ALA A 105 -22.736 -0.960 1.994 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.547 -1.051 1.540 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -24.942 -0.073 -0.624 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.153 0.766 0.733 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.223 -0.370 -0.272 1.00 1.00 H new ATOM 1636 N THR A 106 -25.799 -2.715 -0.413 1.00 1.00 N ATOM 1637 CA THR A 106 -26.105 -3.930 -1.133 1.00 1.00 C ATOM 1638 C THR A 106 -26.250 -3.630 -2.619 1.00 1.00 C ATOM 1639 O THR A 106 -26.870 -2.653 -2.989 1.00 1.00 O ATOM 1640 CB THR A 106 -27.405 -4.567 -0.575 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.209 -4.887 0.815 1.00 1.00 O ATOM 1642 CG2 THR A 106 -27.797 -5.829 -1.338 1.00 1.00 C ATOM 0 H THR A 106 -26.483 -1.969 -0.537 1.00 1.00 H new ATOM 0 HA THR A 106 -25.289 -4.640 -1.000 1.00 1.00 H new ATOM 0 HB THR A 106 -28.214 -3.846 -0.694 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.026 -5.289 1.177 1.00 1.00 H new ATOM 0 HG21 THR A 106 -28.712 -6.241 -0.913 1.00 1.00 H new ATOM 0 HG22 THR A 106 -27.962 -5.583 -2.387 1.00 1.00 H new ATOM 0 HG23 THR A 106 -26.997 -6.565 -1.259 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.654 -4.437 -3.454 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.754 -4.228 -4.876 1.00 1.00 C ATOM 1652 C VAL A 107 -26.482 -5.365 -5.522 1.00 1.00 C ATOM 1653 O VAL A 107 -26.304 -6.519 -5.135 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.382 -4.025 -5.559 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.739 -2.773 -5.047 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.460 -5.224 -5.351 1.00 1.00 C ATOM 0 H VAL A 107 -25.095 -5.244 -3.177 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.316 -3.304 -5.012 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.552 -3.931 -6.632 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.773 -2.636 -5.532 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.380 -1.919 -5.266 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.596 -2.852 -3.969 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.507 -5.040 -5.847 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.292 -5.373 -4.284 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -23.923 -6.116 -5.773 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.330 -5.046 -6.449 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.055 -6.039 -7.160 1.00 1.00 C ATOM 1668 C ALA A 108 -27.872 -5.865 -8.646 1.00 1.00 C ATOM 1669 O ALA A 108 -27.972 -4.785 -9.171 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.510 -6.014 -6.795 1.00 1.00 C ATOM 0 H ALA A 108 -27.536 -4.088 -6.731 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.659 -7.014 -6.876 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -30.039 -6.785 -7.355 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.620 -6.201 -5.727 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.929 -5.037 -7.037 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.642 -6.930 -9.291 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.366 -6.955 -10.710 1.00 1.00 C ATOM 1678 C LEU A 109 -28.623 -7.348 -11.458 1.00 1.00 C ATOM 1679 O LEU A 109 -29.228 -8.374 -11.153 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.227 -7.976 -10.968 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.673 -8.103 -12.398 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.213 -8.536 -12.357 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -26.484 -9.113 -13.213 1.00 1.00 C ATOM 0 H LEU A 109 -27.634 -7.853 -8.857 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.053 -5.972 -11.061 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.396 -7.720 -10.311 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.585 -8.959 -10.661 1.00 1.00 H new ATOM 0 HG LEU A 109 -25.750 -7.127 -12.878 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.831 -8.623 -13.374 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -23.629 -7.795 -11.812 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -24.134 -9.501 -11.856 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -26.071 -9.183 -14.219 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.437 -10.090 -12.732 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -27.522 -8.786 -13.269 1.00 1.00 H new ATOM 1695 N VAL A 110 -29.029 -6.538 -12.412 1.00 1.00 N ATOM 1696 CA VAL A 110 -30.203 -6.845 -13.197 1.00 1.00 C ATOM 1697 C VAL A 110 -29.855 -6.977 -14.677 1.00 1.00 C ATOM 1698 O VAL A 110 -29.182 -6.109 -15.249 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.371 -5.827 -13.000 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.809 -5.776 -11.557 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -31.019 -4.440 -13.477 1.00 1.00 C ATOM 0 H VAL A 110 -28.565 -5.665 -12.662 1.00 1.00 H new ATOM 0 HA VAL A 110 -30.564 -7.804 -12.826 1.00 1.00 H new ATOM 0 HB VAL A 110 -32.196 -6.187 -13.614 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.623 -5.059 -11.449 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -32.151 -6.763 -11.245 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.970 -5.469 -10.933 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.867 -3.774 -13.316 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.157 -4.072 -12.920 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.778 -4.471 -14.540 1.00 1.00 H new ATOM 1711 N PRO A 111 -30.297 -8.059 -15.319 1.00 1.00 N ATOM 1712 CA PRO A 111 -30.009 -8.302 -16.721 1.00 1.00 C ATOM 1713 C PRO A 111 -30.851 -7.410 -17.634 1.00 1.00 C ATOM 1714 O PRO A 111 -31.950 -7.778 -18.041 1.00 1.00 O ATOM 1715 CB PRO A 111 -30.368 -9.777 -16.911 1.00 1.00 C ATOM 1716 CG PRO A 111 -31.404 -10.055 -15.874 1.00 1.00 C ATOM 1717 CD PRO A 111 -31.119 -9.130 -14.722 1.00 1.00 C ATOM 0 HA PRO A 111 -28.974 -8.077 -16.978 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -30.752 -9.964 -17.914 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -29.495 -10.416 -16.779 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -32.405 -9.883 -16.270 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -31.362 -11.096 -15.554 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -32.039 -8.734 -14.291 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.586 -9.642 -13.921 1.00 1.00 H new ATOM 1725 N CYS A 112 -30.335 -6.199 -17.882 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.929 -5.163 -18.776 1.00 1.00 C ATOM 1727 C CYS A 112 -32.346 -4.783 -18.409 1.00 1.00 C ATOM 1728 O CYS A 112 -33.076 -4.167 -19.196 1.00 1.00 O ATOM 1729 CB CYS A 112 -30.817 -5.533 -20.269 1.00 1.00 C ATOM 1730 SG CYS A 112 -31.480 -7.140 -20.788 1.00 1.00 S ATOM 0 H CYS A 112 -29.461 -5.890 -17.456 1.00 1.00 H new ATOM 0 HA CYS A 112 -30.322 -4.273 -18.612 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -31.323 -4.759 -20.846 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -29.763 -5.499 -20.545 1.00 1.00 H new ATOM 0 HG CYS A 112 -32.019 -7.737 -19.767 1.00 1.00 H new