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 36 THR OG1 : rot 125:sc= -0.305 USER MOD Set 1.2: A 39 GLN : amide:sc= -1.18 K(o=-1.5,f=-0.38) USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 34 CYS SG : rot -28:sc= 0.222 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.17) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -2.45 (180deg=-3.14!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.728 (180deg=0.226) USER MOD Single : A 44 MET CE :methyl -171:sc= -5.3! (180deg=-5.87!) USER MOD Single : A 47 GLN : amide:sc= -3.27! C(o=-3.3!,f=-6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0083 USER MOD Single : A 74 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.0488 K(o=0.049,f=-1.2!) USER MOD Single : A 95 THR OG1 : rot -150:sc= -2.35! USER MOD Single : A 97 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.49) USER MOD Single : A 98 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0.014) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.021 (180deg=-1.02) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot -7:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -9.188 6.168 0.764 1.00 1.00 N ATOM 88 CA TYR A 6 -10.517 6.059 0.348 1.00 1.00 C ATOM 89 C TYR A 6 -11.210 5.281 1.402 1.00 1.00 C ATOM 90 O TYR A 6 -10.592 4.932 2.396 1.00 1.00 O ATOM 91 CB TYR A 6 -10.582 5.333 -1.000 1.00 1.00 C ATOM 92 CG TYR A 6 -9.841 6.060 -2.096 1.00 1.00 C ATOM 93 CD1 TYR A 6 -10.380 7.186 -2.690 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.595 5.631 -2.519 1.00 1.00 C ATOM 95 CE1 TYR A 6 -9.695 7.867 -3.679 1.00 1.00 C ATOM 96 CE2 TYR A 6 -7.901 6.304 -3.501 1.00 1.00 C ATOM 97 CZ TYR A 6 -8.456 7.420 -4.083 1.00 1.00 C ATOM 98 OH TYR A 6 -7.772 8.097 -5.067 1.00 1.00 O ATOM 0 HA TYR A 6 -10.985 7.034 0.211 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -10.165 4.332 -0.888 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.625 5.212 -1.292 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -11.351 7.539 -2.377 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.158 4.751 -2.070 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -10.129 8.746 -4.133 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.927 5.957 -3.812 1.00 1.00 H new ATOM 0 HH TYR A 6 -6.914 7.653 -5.234 1.00 1.00 H new ATOM 108 N ARG A 7 -12.439 5.011 1.220 1.00 1.00 N ATOM 109 CA ARG A 7 -13.184 4.319 2.239 1.00 1.00 C ATOM 110 C ARG A 7 -13.407 2.880 1.873 1.00 1.00 C ATOM 111 O ARG A 7 -14.027 2.592 0.857 1.00 1.00 O ATOM 112 CB ARG A 7 -14.509 5.017 2.520 1.00 1.00 C ATOM 113 CG ARG A 7 -14.338 6.451 2.962 1.00 1.00 C ATOM 114 CD ARG A 7 -13.660 6.536 4.313 1.00 1.00 C ATOM 115 NE ARG A 7 -13.471 7.919 4.729 1.00 1.00 N ATOM 116 CZ ARG A 7 -12.286 8.517 4.862 1.00 1.00 C ATOM 117 NH1 ARG A 7 -11.151 7.836 4.640 1.00 1.00 N ATOM 118 NH2 ARG A 7 -12.232 9.793 5.225 1.00 1.00 N ATOM 0 H ARG A 7 -12.969 5.250 0.382 1.00 1.00 H new ATOM 0 HA ARG A 7 -12.589 4.342 3.152 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -15.125 4.991 1.621 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -15.047 4.466 3.292 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.748 6.993 2.223 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -15.313 6.937 3.011 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -14.260 6.010 5.056 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -12.694 6.033 4.269 1.00 1.00 H new ATOM 0 HE ARG A 7 -14.305 8.470 4.933 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -11.191 6.854 4.367 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -10.249 8.301 4.744 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -13.093 10.310 5.400 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -11.329 10.256 5.328 1.00 1.00 H new ATOM 132 N PRO A 8 -12.818 1.960 2.643 1.00 1.00 N ATOM 133 CA PRO A 8 -13.094 0.535 2.507 1.00 1.00 C ATOM 134 C PRO A 8 -14.569 0.294 2.755 1.00 1.00 C ATOM 135 O PRO A 8 -15.063 0.448 3.867 1.00 1.00 O ATOM 136 CB PRO A 8 -12.234 -0.119 3.599 1.00 1.00 C ATOM 137 CG PRO A 8 -11.195 0.899 3.937 1.00 1.00 C ATOM 138 CD PRO A 8 -11.808 2.243 3.668 1.00 1.00 C ATOM 0 HA PRO A 8 -12.865 0.134 1.520 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.834 -0.375 4.472 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.779 -1.043 3.242 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -10.893 0.813 4.981 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -10.299 0.754 3.333 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -12.256 2.667 4.567 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -11.066 2.959 3.314 1.00 1.00 H new ATOM 146 N LEU A 9 -15.248 -0.074 1.731 1.00 1.00 N ATOM 147 CA LEU A 9 -16.662 -0.169 1.758 1.00 1.00 C ATOM 148 C LEU A 9 -17.057 -1.633 1.714 1.00 1.00 C ATOM 149 O LEU A 9 -16.577 -2.388 0.870 1.00 1.00 O ATOM 150 CB LEU A 9 -17.197 0.591 0.523 1.00 1.00 C ATOM 151 CG LEU A 9 -18.643 1.126 0.545 1.00 1.00 C ATOM 152 CD1 LEU A 9 -19.681 0.025 0.591 1.00 1.00 C ATOM 153 CD2 LEU A 9 -18.827 2.117 1.674 1.00 1.00 C ATOM 0 H LEU A 9 -14.830 -0.322 0.834 1.00 1.00 H new ATOM 0 HA LEU A 9 -17.081 0.266 2.665 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.535 1.438 0.346 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.104 -0.072 -0.337 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.805 1.646 -0.399 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -20.678 0.465 0.605 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -19.577 -0.610 -0.289 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -19.536 -0.574 1.490 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -19.854 2.483 1.673 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -18.617 1.628 2.625 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -18.143 2.955 1.538 1.00 1.00 H new ATOM 165 N THR A 10 -17.885 -2.039 2.643 1.00 1.00 N ATOM 166 CA THR A 10 -18.393 -3.383 2.650 1.00 1.00 C ATOM 167 C THR A 10 -19.657 -3.395 1.803 1.00 1.00 C ATOM 168 O THR A 10 -20.572 -2.630 2.046 1.00 1.00 O ATOM 169 CB THR A 10 -18.700 -3.829 4.092 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.539 -3.574 4.913 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.030 -5.315 4.148 1.00 1.00 C ATOM 0 H THR A 10 -18.222 -1.453 3.407 1.00 1.00 H new ATOM 0 HA THR A 10 -17.657 -4.077 2.243 1.00 1.00 H new ATOM 0 HB THR A 10 -19.562 -3.270 4.455 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.723 -3.852 5.835 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.242 -5.602 5.178 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.903 -5.517 3.527 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.181 -5.890 3.779 1.00 1.00 H new ATOM 179 N LEU A 11 -19.674 -4.199 0.811 1.00 1.00 N ATOM 180 CA LEU A 11 -20.748 -4.224 -0.121 1.00 1.00 C ATOM 181 C LEU A 11 -21.288 -5.645 -0.258 1.00 1.00 C ATOM 182 O LEU A 11 -20.528 -6.585 -0.295 1.00 1.00 O ATOM 183 CB LEU A 11 -20.211 -3.719 -1.443 1.00 1.00 C ATOM 184 CG LEU A 11 -21.224 -3.287 -2.460 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.080 -2.176 -1.872 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.509 -2.813 -3.714 1.00 1.00 C ATOM 0 H LEU A 11 -18.933 -4.872 0.614 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.571 -3.593 0.214 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.550 -2.876 -1.242 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.599 -4.506 -1.885 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.871 -4.123 -2.726 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.819 -1.858 -2.608 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.590 -2.542 -0.981 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.446 -1.330 -1.605 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.244 -2.498 -4.455 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.860 -1.973 -3.467 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -19.909 -3.627 -4.121 1.00 1.00 H new ATOM 198 N ASN A 12 -22.581 -5.802 -0.330 1.00 1.00 N ATOM 199 CA ASN A 12 -23.167 -7.120 -0.420 1.00 1.00 C ATOM 200 C ASN A 12 -23.488 -7.471 -1.862 1.00 1.00 C ATOM 201 O ASN A 12 -24.282 -6.776 -2.514 1.00 1.00 O ATOM 202 CB ASN A 12 -24.430 -7.199 0.423 1.00 1.00 C ATOM 203 CG ASN A 12 -25.054 -8.575 0.391 1.00 1.00 C ATOM 204 OD1 ASN A 12 -24.755 -9.425 1.219 1.00 1.00 O ATOM 205 ND2 ASN A 12 -25.912 -8.812 -0.566 1.00 1.00 N ATOM 0 H ASN A 12 -23.254 -5.035 -0.328 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.440 -7.838 -0.040 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.194 -6.933 1.453 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.152 -6.466 0.062 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.355 -9.728 -0.639 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.139 -8.081 -1.240 1.00 1.00 H new ATOM 212 N ALA A 13 -22.881 -8.536 -2.362 1.00 1.00 N ATOM 213 CA ALA A 13 -23.112 -8.982 -3.726 1.00 1.00 C ATOM 214 C ALA A 13 -24.443 -9.731 -3.827 1.00 1.00 C ATOM 215 O ALA A 13 -24.652 -10.741 -3.133 1.00 1.00 O ATOM 216 CB ALA A 13 -21.970 -9.879 -4.191 1.00 1.00 C ATOM 0 H ALA A 13 -22.220 -9.111 -1.839 1.00 1.00 H new ATOM 0 HA ALA A 13 -23.156 -8.105 -4.372 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -22.157 -10.205 -5.214 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -21.033 -9.324 -4.153 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.903 -10.750 -3.539 1.00 1.00 H new ATOM 222 N LEU A 14 -25.337 -9.240 -4.666 1.00 1.00 N ATOM 223 CA LEU A 14 -26.646 -9.836 -4.844 1.00 1.00 C ATOM 224 C LEU A 14 -27.147 -9.616 -6.289 1.00 1.00 C ATOM 225 O LEU A 14 -26.547 -8.862 -7.052 1.00 1.00 O ATOM 226 CB LEU A 14 -27.629 -9.220 -3.837 1.00 1.00 C ATOM 227 CG LEU A 14 -28.826 -10.087 -3.452 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.357 -11.310 -2.678 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.825 -9.284 -2.633 1.00 1.00 C ATOM 0 H LEU A 14 -25.174 -8.415 -5.244 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.577 -10.909 -4.668 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -27.079 -8.971 -2.929 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -28.002 -8.283 -4.251 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.324 -10.421 -4.362 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.218 -11.922 -2.408 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.677 -11.894 -3.298 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -27.840 -10.992 -1.773 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.671 -9.918 -2.368 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.344 -8.923 -1.724 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -30.177 -8.435 -3.219 1.00 1.00 H new ATOM 241 N LEU A 15 -28.227 -10.286 -6.655 1.00 1.00 N ATOM 242 CA LEU A 15 -28.807 -10.165 -7.984 1.00 1.00 C ATOM 243 C LEU A 15 -30.298 -9.828 -7.895 1.00 1.00 C ATOM 244 O LEU A 15 -30.978 -10.269 -6.970 1.00 1.00 O ATOM 245 CB LEU A 15 -28.551 -11.440 -8.833 1.00 1.00 C ATOM 246 CG LEU A 15 -29.610 -12.554 -8.787 1.00 1.00 C ATOM 247 CD1 LEU A 15 -29.241 -13.679 -9.737 1.00 1.00 C ATOM 248 CD2 LEU A 15 -29.768 -13.092 -7.381 1.00 1.00 C ATOM 0 H LEU A 15 -28.727 -10.929 -6.041 1.00 1.00 H new ATOM 0 HA LEU A 15 -28.312 -9.340 -8.496 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -28.432 -11.133 -9.872 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -27.600 -11.868 -8.517 1.00 1.00 H new ATOM 0 HG LEU A 15 -30.562 -12.126 -9.101 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -30.002 -14.458 -9.691 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -29.180 -13.291 -10.754 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -28.276 -14.096 -9.449 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -30.523 -13.879 -7.375 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -28.817 -13.499 -7.038 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -30.079 -12.286 -6.716 1.00 1.00 H new ATOM 260 N ALA A 16 -30.787 -9.030 -8.816 1.00 1.00 N ATOM 261 CA ALA A 16 -32.194 -8.653 -8.830 1.00 1.00 C ATOM 262 C ALA A 16 -32.832 -9.007 -10.176 1.00 1.00 C ATOM 263 O ALA A 16 -33.655 -8.257 -10.709 1.00 1.00 O ATOM 264 CB ALA A 16 -32.329 -7.173 -8.557 1.00 1.00 C ATOM 0 H ALA A 16 -30.234 -8.624 -9.571 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.715 -9.208 -8.050 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.383 -6.896 -8.568 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.904 -6.943 -7.580 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.798 -6.611 -9.325 1.00 1.00 H new ATOM 270 N VAL A 17 -32.459 -10.162 -10.708 1.00 1.00 N ATOM 271 CA VAL A 17 -32.930 -10.630 -11.958 1.00 1.00 C ATOM 272 C VAL A 17 -34.459 -10.821 -11.928 1.00 1.00 C ATOM 273 O VAL A 17 -35.165 -10.390 -12.843 1.00 1.00 O ATOM 274 CB VAL A 17 -32.230 -11.960 -12.258 1.00 1.00 C ATOM 275 CG1 VAL A 17 -32.806 -12.592 -13.455 1.00 1.00 C ATOM 276 CG2 VAL A 17 -30.739 -11.751 -12.435 1.00 1.00 C ATOM 0 H VAL A 17 -31.804 -10.798 -10.254 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.707 -9.901 -12.737 1.00 1.00 H new ATOM 0 HB VAL A 17 -32.386 -12.626 -11.409 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -32.295 -13.535 -13.650 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -33.867 -12.781 -13.292 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -32.684 -11.929 -14.311 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -30.260 -12.707 -12.647 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -30.564 -11.065 -13.264 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -30.320 -11.330 -11.521 1.00 1.00 H new ATOM 286 N GLY A 18 -34.949 -11.450 -10.878 1.00 1.00 N ATOM 287 CA GLY A 18 -36.364 -11.618 -10.729 1.00 1.00 C ATOM 288 C GLY A 18 -36.708 -12.702 -9.739 1.00 1.00 C ATOM 289 O GLY A 18 -36.709 -12.462 -8.537 1.00 1.00 O ATOM 0 H GLY A 18 -34.386 -11.847 -10.126 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -36.808 -10.677 -10.403 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -36.803 -11.860 -11.697 1.00 1.00 H new ATOM 293 N PRO A 19 -36.935 -13.929 -10.215 1.00 1.00 N ATOM 294 CA PRO A 19 -37.391 -15.054 -9.377 1.00 1.00 C ATOM 295 C PRO A 19 -36.408 -15.425 -8.264 1.00 1.00 C ATOM 296 O PRO A 19 -36.812 -15.821 -7.168 1.00 1.00 O ATOM 297 CB PRO A 19 -37.516 -16.209 -10.375 1.00 1.00 C ATOM 298 CG PRO A 19 -36.626 -15.826 -11.498 1.00 1.00 C ATOM 299 CD PRO A 19 -36.743 -14.337 -11.611 1.00 1.00 C ATOM 0 HA PRO A 19 -38.315 -14.806 -8.854 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -37.208 -17.154 -9.929 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -38.546 -16.335 -10.710 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -35.596 -16.125 -11.302 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -36.929 -16.315 -12.424 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -35.848 -13.891 -12.045 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -37.583 -14.042 -12.240 1.00 1.00 H new ATOM 307 N GLY A 20 -35.138 -15.260 -8.530 1.00 1.00 N ATOM 308 CA GLY A 20 -34.149 -15.615 -7.583 1.00 1.00 C ATOM 309 C GLY A 20 -33.463 -14.412 -7.015 1.00 1.00 C ATOM 310 O GLY A 20 -32.327 -14.504 -6.569 1.00 1.00 O ATOM 0 H GLY A 20 -34.777 -14.878 -9.404 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -34.608 -16.186 -6.776 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -33.412 -16.265 -8.054 1.00 1.00 H new ATOM 314 N ALA A 21 -34.155 -13.273 -7.026 1.00 1.00 N ATOM 315 CA ALA A 21 -33.603 -12.011 -6.536 1.00 1.00 C ATOM 316 C ALA A 21 -33.365 -12.044 -5.022 1.00 1.00 C ATOM 317 O ALA A 21 -34.186 -11.556 -4.227 1.00 1.00 O ATOM 318 CB ALA A 21 -34.509 -10.847 -6.913 1.00 1.00 C ATOM 0 H ALA A 21 -35.111 -13.199 -7.374 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.635 -11.869 -7.016 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.081 -9.917 -6.539 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.601 -10.794 -7.998 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.495 -10.996 -6.472 1.00 1.00 H new ATOM 324 N GLY A 22 -32.270 -12.656 -4.638 1.00 1.00 N ATOM 325 CA GLY A 22 -31.897 -12.718 -3.266 1.00 1.00 C ATOM 326 C GLY A 22 -31.359 -14.071 -2.880 1.00 1.00 C ATOM 327 O GLY A 22 -30.894 -14.249 -1.764 1.00 1.00 O ATOM 0 H GLY A 22 -31.622 -13.120 -5.274 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.143 -11.958 -3.062 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -32.762 -12.483 -2.646 1.00 1.00 H new ATOM 331 N GLU A 23 -31.401 -15.036 -3.798 1.00 1.00 N ATOM 332 CA GLU A 23 -30.940 -16.387 -3.464 1.00 1.00 C ATOM 333 C GLU A 23 -29.598 -16.749 -4.123 1.00 1.00 C ATOM 334 O GLU A 23 -29.245 -17.930 -4.216 1.00 1.00 O ATOM 335 CB GLU A 23 -31.993 -17.416 -3.840 1.00 1.00 C ATOM 336 CG GLU A 23 -32.251 -17.528 -5.329 1.00 1.00 C ATOM 337 CD GLU A 23 -33.023 -18.765 -5.685 1.00 1.00 C ATOM 338 OE1 GLU A 23 -34.268 -18.752 -5.606 1.00 1.00 O ATOM 339 OE2 GLU A 23 -32.400 -19.776 -6.041 1.00 1.00 O ATOM 0 H GLU A 23 -31.739 -14.916 -4.753 1.00 1.00 H new ATOM 0 HA GLU A 23 -30.779 -16.398 -2.386 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -31.683 -18.390 -3.462 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -32.927 -17.162 -3.339 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -32.801 -16.650 -5.667 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -31.299 -17.531 -5.861 1.00 1.00 H new ATOM 346 N ALA A 24 -28.856 -15.761 -4.564 1.00 1.00 N ATOM 347 CA ALA A 24 -27.606 -16.045 -5.260 1.00 1.00 C ATOM 348 C ALA A 24 -26.481 -16.376 -4.301 1.00 1.00 C ATOM 349 O ALA A 24 -26.123 -17.542 -4.124 1.00 1.00 O ATOM 350 CB ALA A 24 -27.199 -14.896 -6.158 1.00 1.00 C ATOM 0 H ALA A 24 -29.082 -14.772 -4.461 1.00 1.00 H new ATOM 0 HA ALA A 24 -27.791 -16.924 -5.878 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -26.264 -15.141 -6.661 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -27.977 -14.723 -6.902 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -27.063 -13.996 -5.558 1.00 1.00 H new ATOM 356 N GLN A 25 -25.936 -15.366 -3.677 1.00 1.00 N ATOM 357 CA GLN A 25 -24.804 -15.540 -2.805 1.00 1.00 C ATOM 358 C GLN A 25 -24.946 -14.696 -1.536 1.00 1.00 C ATOM 359 O GLN A 25 -24.849 -15.222 -0.435 1.00 1.00 O ATOM 360 CB GLN A 25 -23.513 -15.211 -3.571 1.00 1.00 C ATOM 361 CG GLN A 25 -23.558 -13.872 -4.295 1.00 1.00 C ATOM 362 CD GLN A 25 -22.404 -13.665 -5.227 1.00 1.00 C ATOM 363 OE1 GLN A 25 -21.387 -13.104 -4.861 1.00 1.00 O ATOM 364 NE2 GLN A 25 -22.556 -14.116 -6.433 1.00 1.00 N ATOM 0 H GLN A 25 -26.262 -14.403 -3.758 1.00 1.00 H new ATOM 0 HA GLN A 25 -24.758 -16.580 -2.482 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -22.676 -15.209 -2.872 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -23.320 -16.001 -4.297 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -24.488 -13.802 -4.858 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -23.570 -13.069 -3.559 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.425 -14.580 -6.698 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -21.807 -14.007 -7.117 1.00 1.00 H new ATOM 373 N GLY A 26 -25.189 -13.385 -1.703 1.00 1.00 N ATOM 374 CA GLY A 26 -25.322 -12.495 -0.558 1.00 1.00 C ATOM 375 C GLY A 26 -24.047 -12.448 0.224 1.00 1.00 C ATOM 376 O GLY A 26 -23.998 -12.804 1.406 1.00 1.00 O ATOM 0 H GLY A 26 -25.295 -12.931 -2.610 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.583 -11.493 -0.898 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.135 -12.837 0.082 1.00 1.00 H new ATOM 380 N VAL A 27 -23.008 -12.028 -0.434 1.00 1.00 N ATOM 381 CA VAL A 27 -21.692 -12.030 0.168 1.00 1.00 C ATOM 382 C VAL A 27 -21.184 -10.622 0.333 1.00 1.00 C ATOM 383 O VAL A 27 -21.192 -9.844 -0.626 1.00 1.00 O ATOM 384 CB VAL A 27 -20.676 -12.840 -0.685 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.327 -12.959 0.021 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.232 -14.212 -0.997 1.00 1.00 C ATOM 0 H VAL A 27 -23.038 -11.677 -1.391 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.785 -12.504 1.145 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.516 -12.302 -1.619 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.639 -13.531 -0.602 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -18.918 -11.964 0.194 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.460 -13.467 0.976 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -20.511 -14.769 -1.595 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.423 -14.747 -0.067 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.163 -14.109 -1.554 1.00 1.00 H new ATOM 396 N PRO A 28 -20.768 -10.257 1.546 1.00 1.00 N ATOM 397 CA PRO A 28 -20.178 -8.965 1.794 1.00 1.00 C ATOM 398 C PRO A 28 -18.731 -8.927 1.286 1.00 1.00 C ATOM 399 O PRO A 28 -17.816 -9.491 1.886 1.00 1.00 O ATOM 400 CB PRO A 28 -20.234 -8.824 3.317 1.00 1.00 C ATOM 401 CG PRO A 28 -20.234 -10.219 3.835 1.00 1.00 C ATOM 402 CD PRO A 28 -20.862 -11.077 2.770 1.00 1.00 C ATOM 0 HA PRO A 28 -20.696 -8.154 1.282 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -19.378 -8.264 3.693 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -21.129 -8.287 3.631 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -19.219 -10.552 4.051 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.796 -10.286 4.767 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.333 -12.024 2.657 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.898 -11.317 3.011 1.00 1.00 H new ATOM 410 N VAL A 29 -18.553 -8.297 0.174 1.00 1.00 N ATOM 411 CA VAL A 29 -17.266 -8.136 -0.437 1.00 1.00 C ATOM 412 C VAL A 29 -16.809 -6.720 -0.139 1.00 1.00 C ATOM 413 O VAL A 29 -17.638 -5.844 0.106 1.00 1.00 O ATOM 414 CB VAL A 29 -17.356 -8.358 -1.978 1.00 1.00 C ATOM 415 CG1 VAL A 29 -15.998 -8.239 -2.656 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.014 -9.703 -2.299 1.00 1.00 C ATOM 0 H VAL A 29 -19.314 -7.867 -0.352 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.561 -8.868 -0.043 1.00 1.00 H new ATOM 0 HB VAL A 29 -17.984 -7.563 -2.381 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.111 -8.401 -3.728 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.590 -7.244 -2.481 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.320 -8.987 -2.245 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.065 -9.834 -3.380 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.425 -10.510 -1.863 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.021 -9.724 -1.883 1.00 1.00 H new ATOM 426 N LYS A 30 -15.532 -6.484 -0.114 1.00 1.00 N ATOM 427 CA LYS A 30 -15.070 -5.160 0.167 1.00 1.00 C ATOM 428 C LYS A 30 -14.481 -4.520 -1.044 1.00 1.00 C ATOM 429 O LYS A 30 -13.760 -5.153 -1.827 1.00 1.00 O ATOM 430 CB LYS A 30 -14.097 -5.102 1.333 1.00 1.00 C ATOM 431 CG LYS A 30 -14.707 -5.501 2.659 1.00 1.00 C ATOM 432 CD LYS A 30 -13.714 -5.305 3.775 1.00 1.00 C ATOM 433 CE LYS A 30 -14.288 -5.746 5.114 1.00 1.00 C ATOM 434 NZ LYS A 30 -13.341 -5.494 6.225 1.00 1.00 N ATOM 0 H LYS A 30 -14.803 -7.178 -0.282 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.951 -4.593 0.466 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.252 -5.757 1.121 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.703 -4.089 1.415 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -15.600 -4.905 2.850 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -15.021 -6.544 2.623 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -12.808 -5.872 3.561 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -13.427 -4.255 3.829 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -15.221 -5.215 5.303 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -14.529 -6.808 5.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -13.766 -5.807 7.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -12.460 -6.021 6.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -13.131 -4.477 6.278 1.00 1.00 H new ATOM 448 N VAL A 31 -14.785 -3.280 -1.182 1.00 1.00 N ATOM 449 CA VAL A 31 -14.350 -2.456 -2.282 1.00 1.00 C ATOM 450 C VAL A 31 -13.894 -1.139 -1.730 1.00 1.00 C ATOM 451 O VAL A 31 -13.978 -0.910 -0.515 1.00 1.00 O ATOM 452 CB VAL A 31 -15.478 -2.218 -3.329 1.00 1.00 C ATOM 453 CG1 VAL A 31 -15.747 -3.480 -4.122 1.00 1.00 C ATOM 454 CG2 VAL A 31 -16.757 -1.730 -2.657 1.00 1.00 C ATOM 0 H VAL A 31 -15.367 -2.779 -0.511 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.540 -2.972 -2.797 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.138 -1.442 -4.015 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -16.538 -3.292 -4.848 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.839 -3.782 -4.645 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.057 -4.276 -3.445 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -17.527 -1.572 -3.412 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -17.099 -2.477 -1.940 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -16.560 -0.792 -2.138 1.00 1.00 H new ATOM 464 N LEU A 32 -13.369 -0.305 -2.551 1.00 1.00 N ATOM 465 CA LEU A 32 -13.004 1.005 -2.119 1.00 1.00 C ATOM 466 C LEU A 32 -13.981 2.009 -2.610 1.00 1.00 C ATOM 467 O LEU A 32 -14.694 1.788 -3.584 1.00 1.00 O ATOM 468 CB LEU A 32 -11.599 1.427 -2.547 1.00 1.00 C ATOM 469 CG LEU A 32 -10.434 0.952 -1.693 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.187 1.674 -2.120 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.702 1.210 -0.223 1.00 1.00 C ATOM 0 H LEU A 32 -13.179 -0.503 -3.534 1.00 1.00 H new ATOM 0 HA LEU A 32 -13.010 0.964 -1.030 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.437 1.073 -3.565 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.570 2.516 -2.580 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.308 -0.122 -1.831 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.346 1.339 -1.512 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -8.984 1.460 -3.169 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.325 2.747 -1.988 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.855 0.862 0.368 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.843 2.279 -0.061 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.601 0.675 0.082 1.00 1.00 H new ATOM 483 N ASP A 33 -13.979 3.130 -1.949 1.00 1.00 N ATOM 484 CA ASP A 33 -14.831 4.268 -2.272 1.00 1.00 C ATOM 485 C ASP A 33 -14.545 4.746 -3.693 1.00 1.00 C ATOM 486 O ASP A 33 -15.456 5.266 -4.412 1.00 1.00 O ATOM 487 CB ASP A 33 -14.517 5.370 -1.264 1.00 1.00 C ATOM 488 CG ASP A 33 -15.331 6.612 -1.404 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.545 6.559 -1.252 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.732 7.685 -1.636 1.00 1.00 O ATOM 0 H ASP A 33 -13.372 3.296 -1.146 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.885 3.994 -2.219 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.661 4.972 -0.259 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.463 5.634 -1.355 1.00 1.00 H new ATOM 495 N CYS A 34 -13.270 4.533 -4.099 1.00 1.00 N ATOM 496 CA CYS A 34 -12.728 4.944 -5.386 1.00 1.00 C ATOM 497 C CYS A 34 -13.050 3.954 -6.507 1.00 1.00 C ATOM 498 O CYS A 34 -12.838 4.269 -7.694 1.00 1.00 O ATOM 499 CB CYS A 34 -11.209 5.090 -5.275 1.00 1.00 C ATOM 500 SG CYS A 34 -10.396 5.734 -6.754 1.00 1.00 S ATOM 0 H CYS A 34 -12.584 4.057 -3.514 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.195 5.895 -5.641 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -10.982 5.750 -4.437 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -10.781 4.116 -5.038 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.089 5.410 -7.806 1.00 1.00 H new ATOM 506 N ASP A 35 -13.537 2.774 -6.161 1.00 1.00 N ATOM 507 CA ASP A 35 -13.860 1.807 -7.171 1.00 1.00 C ATOM 508 C ASP A 35 -15.050 2.310 -7.932 1.00 1.00 C ATOM 509 O ASP A 35 -16.037 2.788 -7.340 1.00 1.00 O ATOM 510 CB ASP A 35 -14.152 0.408 -6.569 1.00 1.00 C ATOM 511 CG ASP A 35 -12.896 -0.395 -6.235 1.00 1.00 C ATOM 512 OD1 ASP A 35 -12.385 -0.285 -5.104 1.00 1.00 O ATOM 513 OD2 ASP A 35 -12.398 -1.144 -7.092 1.00 1.00 O ATOM 0 H ASP A 35 -13.712 2.475 -5.202 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.003 1.686 -7.833 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.746 0.530 -5.663 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.759 -0.161 -7.274 1.00 1.00 H new ATOM 518 N THR A 36 -14.956 2.252 -9.221 1.00 1.00 N ATOM 519 CA THR A 36 -16.028 2.670 -10.068 1.00 1.00 C ATOM 520 C THR A 36 -17.057 1.580 -10.093 1.00 1.00 C ATOM 521 O THR A 36 -16.818 0.515 -9.569 1.00 1.00 O ATOM 522 CB THR A 36 -15.557 3.005 -11.511 1.00 1.00 C ATOM 523 OG1 THR A 36 -15.094 1.823 -12.194 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.435 4.028 -11.468 1.00 1.00 C ATOM 0 H THR A 36 -14.132 1.913 -9.718 1.00 1.00 H new ATOM 0 HA THR A 36 -16.448 3.591 -9.665 1.00 1.00 H new ATOM 0 HB THR A 36 -16.409 3.413 -12.055 1.00 1.00 H new ATOM 0 HG1 THR A 36 -15.589 1.714 -13.033 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.112 4.256 -12.484 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.791 4.939 -10.987 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.596 3.624 -10.902 1.00 1.00 H new ATOM 532 N ILE A 37 -18.176 1.824 -10.687 1.00 1.00 N ATOM 533 CA ILE A 37 -19.223 0.844 -10.713 1.00 1.00 C ATOM 534 C ILE A 37 -18.755 -0.439 -11.410 1.00 1.00 C ATOM 535 O ILE A 37 -18.962 -1.528 -10.895 1.00 1.00 O ATOM 536 CB ILE A 37 -20.496 1.400 -11.366 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.918 2.713 -10.671 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.622 0.376 -11.325 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.139 2.611 -9.193 1.00 1.00 C ATOM 0 H ILE A 37 -18.396 2.698 -11.166 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.469 0.594 -9.681 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.283 1.614 -12.413 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.152 3.466 -10.856 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.836 3.072 -11.135 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.512 0.795 -11.794 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.317 -0.522 -11.863 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.844 0.121 -10.289 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.432 3.585 -8.801 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.929 1.887 -8.992 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.218 2.287 -8.709 1.00 1.00 H new ATOM 551 N SER A 38 -18.100 -0.309 -12.544 1.00 1.00 N ATOM 552 CA SER A 38 -17.553 -1.467 -13.224 1.00 1.00 C ATOM 553 C SER A 38 -16.429 -2.080 -12.374 1.00 1.00 C ATOM 554 O SER A 38 -16.355 -3.300 -12.206 1.00 1.00 O ATOM 555 CB SER A 38 -17.033 -1.084 -14.619 1.00 1.00 C ATOM 556 OG SER A 38 -16.591 -2.218 -15.355 1.00 1.00 O ATOM 0 H SER A 38 -17.933 0.581 -13.014 1.00 1.00 H new ATOM 0 HA SER A 38 -18.343 -2.207 -13.355 1.00 1.00 H new ATOM 0 HB2 SER A 38 -17.823 -0.578 -15.174 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.211 -0.376 -14.517 1.00 1.00 H new ATOM 0 HG SER A 38 -16.270 -1.932 -16.236 1.00 1.00 H new ATOM 562 N GLN A 39 -15.599 -1.210 -11.805 1.00 1.00 N ATOM 563 CA GLN A 39 -14.433 -1.614 -11.024 1.00 1.00 C ATOM 564 C GLN A 39 -14.856 -2.331 -9.736 1.00 1.00 C ATOM 565 O GLN A 39 -14.175 -3.226 -9.263 1.00 1.00 O ATOM 566 CB GLN A 39 -13.589 -0.385 -10.705 1.00 1.00 C ATOM 567 CG GLN A 39 -12.186 -0.656 -10.189 1.00 1.00 C ATOM 568 CD GLN A 39 -11.431 0.636 -9.877 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.578 0.681 -8.976 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.723 1.689 -10.611 1.00 1.00 N ATOM 0 H GLN A 39 -15.717 -0.199 -11.873 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.839 -2.315 -11.610 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.512 0.222 -11.607 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -14.119 0.212 -9.963 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.243 -1.269 -9.289 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.631 -1.230 -10.931 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.429 1.620 -11.344 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -11.243 2.574 -10.447 1.00 1.00 H new ATOM 579 N ALA A 40 -15.952 -1.917 -9.169 1.00 1.00 N ATOM 580 CA ALA A 40 -16.460 -2.552 -7.975 1.00 1.00 C ATOM 581 C ALA A 40 -17.229 -3.796 -8.299 1.00 1.00 C ATOM 582 O ALA A 40 -17.117 -4.791 -7.595 1.00 1.00 O ATOM 583 CB ALA A 40 -17.257 -1.602 -7.104 1.00 1.00 C ATOM 0 H ALA A 40 -16.517 -1.140 -9.511 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.593 -2.850 -7.385 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.615 -2.131 -6.221 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -16.622 -0.771 -6.797 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.108 -1.219 -7.667 1.00 1.00 H new ATOM 589 N LYS A 41 -17.987 -3.761 -9.377 1.00 1.00 N ATOM 590 CA LYS A 41 -18.732 -4.929 -9.804 1.00 1.00 C ATOM 591 C LYS A 41 -17.793 -6.069 -10.102 1.00 1.00 C ATOM 592 O LYS A 41 -18.107 -7.240 -9.836 1.00 1.00 O ATOM 593 CB LYS A 41 -19.604 -4.634 -11.019 1.00 1.00 C ATOM 594 CG LYS A 41 -20.940 -3.987 -10.699 1.00 1.00 C ATOM 595 CD LYS A 41 -21.954 -5.017 -10.181 1.00 1.00 C ATOM 596 CE LYS A 41 -22.506 -5.912 -11.305 1.00 1.00 C ATOM 597 NZ LYS A 41 -21.633 -7.076 -11.611 1.00 1.00 N ATOM 0 H LYS A 41 -18.103 -2.940 -9.971 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.393 -5.213 -8.985 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -19.052 -3.981 -11.695 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.786 -5.566 -11.554 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.798 -3.207 -9.951 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -21.335 -3.504 -11.593 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -21.480 -5.641 -9.423 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -22.780 -4.497 -9.695 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -23.495 -6.273 -11.021 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -22.632 -5.314 -12.207 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -22.198 -7.825 -12.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.874 -6.780 -12.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -21.216 -7.439 -10.730 1.00 1.00 H new ATOM 611 N GLU A 42 -16.638 -5.725 -10.638 1.00 1.00 N ATOM 612 CA GLU A 42 -15.636 -6.687 -10.960 1.00 1.00 C ATOM 613 C GLU A 42 -15.098 -7.314 -9.693 1.00 1.00 C ATOM 614 O GLU A 42 -14.915 -8.500 -9.633 1.00 1.00 O ATOM 615 CB GLU A 42 -14.550 -6.041 -11.832 1.00 1.00 C ATOM 616 CG GLU A 42 -13.450 -5.278 -11.131 1.00 1.00 C ATOM 617 CD GLU A 42 -12.102 -5.941 -11.163 1.00 1.00 C ATOM 618 OE1 GLU A 42 -11.443 -5.956 -12.217 1.00 1.00 O ATOM 619 OE2 GLU A 42 -11.661 -6.404 -10.113 1.00 1.00 O ATOM 0 H GLU A 42 -16.380 -4.763 -10.858 1.00 1.00 H new ATOM 0 HA GLU A 42 -16.065 -7.497 -11.550 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -14.086 -6.827 -12.428 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -15.040 -5.360 -12.528 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -13.365 -4.291 -11.586 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -13.739 -5.125 -10.091 1.00 1.00 H new ATOM 626 N LYS A 43 -14.899 -6.492 -8.689 1.00 1.00 N ATOM 627 CA LYS A 43 -14.422 -6.942 -7.362 1.00 1.00 C ATOM 628 C LYS A 43 -15.418 -7.873 -6.688 1.00 1.00 C ATOM 629 O LYS A 43 -15.029 -8.876 -6.082 1.00 1.00 O ATOM 630 CB LYS A 43 -14.147 -5.756 -6.427 1.00 1.00 C ATOM 631 CG LYS A 43 -13.009 -4.865 -6.855 1.00 1.00 C ATOM 632 CD LYS A 43 -11.676 -5.586 -6.798 1.00 1.00 C ATOM 633 CE LYS A 43 -10.565 -4.675 -7.261 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.802 -4.228 -8.648 1.00 1.00 N ATOM 0 H LYS A 43 -15.058 -5.486 -8.749 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.493 -7.483 -7.543 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.052 -5.154 -6.351 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -13.934 -6.140 -5.429 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.187 -4.510 -7.870 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.974 -3.986 -6.212 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.480 -5.921 -5.779 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -11.710 -6.477 -7.425 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.498 -3.810 -6.601 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -9.610 -5.197 -7.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.932 -3.806 -9.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.077 -5.043 -9.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -11.564 -3.520 -8.659 1.00 1.00 H new ATOM 648 N MET A 44 -16.697 -7.539 -6.794 1.00 1.00 N ATOM 649 CA MET A 44 -17.751 -8.317 -6.143 1.00 1.00 C ATOM 650 C MET A 44 -17.763 -9.747 -6.666 1.00 1.00 C ATOM 651 O MET A 44 -17.824 -10.704 -5.898 1.00 1.00 O ATOM 652 CB MET A 44 -19.134 -7.687 -6.401 1.00 1.00 C ATOM 653 CG MET A 44 -19.264 -6.223 -5.995 1.00 1.00 C ATOM 654 SD MET A 44 -18.787 -5.901 -4.292 1.00 1.00 S ATOM 655 CE MET A 44 -19.977 -6.894 -3.430 1.00 1.00 C ATOM 0 H MET A 44 -17.033 -6.735 -7.324 1.00 1.00 H new ATOM 0 HA MET A 44 -17.544 -8.319 -5.073 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.364 -7.775 -7.463 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.885 -8.265 -5.863 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.647 -5.615 -6.657 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.296 -5.905 -6.140 1.00 1.00 H new ATOM 0 HE1 MET A 44 -19.922 -6.683 -2.362 1.00 1.00 H new ATOM 0 HE2 MET A 44 -20.977 -6.662 -3.795 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.764 -7.949 -3.602 1.00 1.00 H new ATOM 665 N LEU A 45 -17.682 -9.888 -7.976 1.00 1.00 N ATOM 666 CA LEU A 45 -17.668 -11.207 -8.589 1.00 1.00 C ATOM 667 C LEU A 45 -16.295 -11.877 -8.460 1.00 1.00 C ATOM 668 O LEU A 45 -16.186 -13.099 -8.435 1.00 1.00 O ATOM 669 CB LEU A 45 -18.152 -11.150 -10.059 1.00 1.00 C ATOM 670 CG LEU A 45 -17.320 -10.327 -11.051 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.213 -11.168 -11.661 1.00 1.00 C ATOM 672 CD2 LEU A 45 -18.209 -9.759 -12.139 1.00 1.00 C ATOM 0 H LEU A 45 -17.625 -9.111 -8.635 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.375 -11.831 -8.042 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.207 -12.172 -10.434 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.167 -10.754 -10.063 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.860 -9.503 -10.506 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.638 -10.561 -12.360 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.556 -11.532 -10.871 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.649 -12.016 -12.190 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.605 -9.177 -12.836 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.696 -10.575 -12.674 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.967 -9.116 -11.691 1.00 1.00 H new ATOM 684 N ASP A 46 -15.265 -11.046 -8.330 1.00 1.00 N ATOM 685 CA ASP A 46 -13.835 -11.447 -8.300 1.00 1.00 C ATOM 686 C ASP A 46 -13.546 -12.446 -7.202 1.00 1.00 C ATOM 687 O ASP A 46 -12.654 -13.246 -7.309 1.00 1.00 O ATOM 688 CB ASP A 46 -12.959 -10.206 -8.103 1.00 1.00 C ATOM 689 CG ASP A 46 -11.476 -10.480 -8.086 1.00 1.00 C ATOM 690 OD1 ASP A 46 -10.857 -10.582 -9.178 1.00 1.00 O ATOM 691 OD2 ASP A 46 -10.900 -10.565 -6.990 1.00 1.00 O ATOM 0 H ASP A 46 -15.392 -10.038 -8.239 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.607 -11.926 -9.252 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.175 -9.495 -8.901 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.237 -9.726 -7.165 1.00 1.00 H new ATOM 696 N GLN A 47 -14.301 -12.386 -6.152 1.00 1.00 N ATOM 697 CA GLN A 47 -14.112 -13.287 -5.030 1.00 1.00 C ATOM 698 C GLN A 47 -14.416 -14.730 -5.427 1.00 1.00 C ATOM 699 O GLN A 47 -13.792 -15.676 -4.926 1.00 1.00 O ATOM 700 CB GLN A 47 -14.996 -12.875 -3.866 1.00 1.00 C ATOM 701 CG GLN A 47 -14.735 -11.473 -3.351 1.00 1.00 C ATOM 702 CD GLN A 47 -13.348 -11.279 -2.742 1.00 1.00 C ATOM 703 OE1 GLN A 47 -12.365 -11.944 -3.108 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.266 -10.375 -1.810 1.00 1.00 N ATOM 0 H GLN A 47 -15.065 -11.720 -6.035 1.00 1.00 H new ATOM 0 HA GLN A 47 -13.067 -13.227 -4.725 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.039 -12.948 -4.173 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -14.854 -13.582 -3.049 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -14.861 -10.767 -4.172 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.487 -11.228 -2.601 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.095 -9.848 -1.536 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.372 -10.193 -1.353 1.00 1.00 H new ATOM 713 N LEU A 48 -15.369 -14.887 -6.309 1.00 1.00 N ATOM 714 CA LEU A 48 -15.800 -16.184 -6.766 1.00 1.00 C ATOM 715 C LEU A 48 -15.099 -16.510 -8.055 1.00 1.00 C ATOM 716 O LEU A 48 -14.621 -17.619 -8.270 1.00 1.00 O ATOM 717 CB LEU A 48 -17.328 -16.196 -7.006 1.00 1.00 C ATOM 718 CG LEU A 48 -18.243 -16.088 -5.768 1.00 1.00 C ATOM 719 CD1 LEU A 48 -17.737 -16.955 -4.636 1.00 1.00 C ATOM 720 CD2 LEU A 48 -18.398 -14.643 -5.319 1.00 1.00 C ATOM 0 H LEU A 48 -15.874 -14.110 -6.735 1.00 1.00 H new ATOM 0 HA LEU A 48 -15.556 -16.924 -6.004 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -17.570 -15.371 -7.676 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -17.579 -17.118 -7.531 1.00 1.00 H new ATOM 0 HG LEU A 48 -19.228 -16.454 -6.056 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -18.402 -16.858 -3.778 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -17.711 -17.996 -4.959 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -16.733 -16.637 -4.355 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -19.048 -14.601 -4.445 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -17.420 -14.234 -5.064 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -18.837 -14.056 -6.126 1.00 1.00 H new ATOM 964 N LEU A 63 -25.723 -4.328 -18.452 1.00 1.00 N ATOM 965 CA LEU A 63 -26.542 -4.659 -17.325 1.00 1.00 C ATOM 966 C LEU A 63 -26.589 -3.486 -16.390 1.00 1.00 C ATOM 967 O LEU A 63 -25.674 -2.682 -16.390 1.00 1.00 O ATOM 968 CB LEU A 63 -26.054 -5.952 -16.615 1.00 1.00 C ATOM 969 CG LEU A 63 -24.667 -5.937 -15.935 1.00 1.00 C ATOM 970 CD1 LEU A 63 -24.722 -5.313 -14.545 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.123 -7.343 -15.850 1.00 1.00 C ATOM 0 HA LEU A 63 -27.553 -4.873 -17.672 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.793 -6.214 -15.857 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -26.054 -6.756 -17.351 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.004 -5.323 -16.545 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -23.726 -5.322 -14.102 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -25.075 -4.285 -14.622 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.404 -5.885 -13.916 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.145 -7.326 -15.370 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -24.804 -7.962 -15.265 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.027 -7.757 -16.854 1.00 1.00 H new ATOM 983 N ASP A 64 -27.617 -3.391 -15.600 1.00 1.00 N ATOM 984 CA ASP A 64 -27.745 -2.288 -14.676 1.00 1.00 C ATOM 985 C ASP A 64 -27.450 -2.835 -13.303 1.00 1.00 C ATOM 986 O ASP A 64 -27.662 -4.038 -13.049 1.00 1.00 O ATOM 987 CB ASP A 64 -29.189 -1.712 -14.632 1.00 1.00 C ATOM 988 CG ASP A 64 -29.869 -1.422 -15.965 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.615 -0.364 -16.567 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.732 -2.249 -16.388 1.00 1.00 O ATOM 0 H ASP A 64 -28.384 -4.062 -15.572 1.00 1.00 H new ATOM 0 HA ASP A 64 -27.068 -1.494 -14.991 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.815 -2.413 -14.080 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -29.165 -0.786 -14.058 1.00 1.00 H new ATOM 995 N VAL A 65 -26.957 -2.028 -12.425 1.00 1.00 N ATOM 996 CA VAL A 65 -26.809 -2.473 -11.076 1.00 1.00 C ATOM 997 C VAL A 65 -27.729 -1.659 -10.202 1.00 1.00 C ATOM 998 O VAL A 65 -27.700 -0.423 -10.224 1.00 1.00 O ATOM 999 CB VAL A 65 -25.316 -2.430 -10.547 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.767 -1.014 -10.444 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.194 -3.130 -9.199 1.00 1.00 C ATOM 0 H VAL A 65 -26.653 -1.072 -12.609 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.083 -3.527 -11.039 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.716 -2.961 -11.287 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.741 -1.047 -10.076 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.785 -0.544 -11.427 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.381 -0.435 -9.754 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.159 -3.086 -8.859 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.837 -2.634 -8.472 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.499 -4.172 -9.301 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.574 -2.313 -9.472 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.407 -1.606 -8.596 1.00 1.00 C ATOM 1013 C GLU A 66 -28.710 -1.541 -7.298 1.00 1.00 C ATOM 1014 O GLU A 66 -28.495 -2.553 -6.624 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.785 -2.248 -8.473 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.699 -1.530 -7.502 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.083 -2.104 -7.471 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.279 -3.193 -6.894 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.006 -1.465 -8.004 1.00 1.00 O ATOM 0 H GLU A 66 -28.694 -3.326 -9.474 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.594 -0.602 -8.978 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.256 -2.270 -9.456 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.668 -3.283 -8.152 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.268 -1.579 -6.502 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.754 -0.476 -7.774 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.332 -0.382 -6.962 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.626 -0.164 -5.803 1.00 1.00 C ATOM 1028 C TRP A 67 -28.574 0.182 -4.712 1.00 1.00 C ATOM 1029 O TRP A 67 -29.386 1.100 -4.834 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.621 0.934 -6.002 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.567 0.907 -4.972 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.746 1.083 -3.643 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.172 0.699 -5.174 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.588 0.977 -2.986 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.568 0.753 -3.916 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.372 0.471 -6.304 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.194 0.585 -3.752 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.015 0.310 -6.135 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.440 0.367 -4.870 1.00 1.00 C ATOM 0 H TRP A 67 -28.516 0.459 -7.509 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.084 -1.070 -5.531 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.167 0.837 -6.988 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.128 1.899 -5.978 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.699 1.283 -3.175 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.468 1.048 -1.976 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.813 0.423 -7.289 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.740 0.626 -2.773 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.388 0.137 -6.997 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.373 0.236 -4.769 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.481 -0.539 -3.667 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.293 -0.342 -2.550 1.00 1.00 C ATOM 1052 C ARG A 68 -28.399 0.149 -1.449 1.00 1.00 C ATOM 1053 O ARG A 68 -27.779 -0.626 -0.715 1.00 1.00 O ATOM 1054 CB ARG A 68 -29.974 -1.659 -2.208 1.00 1.00 C ATOM 1055 CG ARG A 68 -30.790 -2.190 -3.372 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.390 -3.544 -3.102 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.081 -4.044 -4.294 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.751 -5.189 -4.381 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -32.823 -6.010 -3.347 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.349 -5.497 -5.516 1.00 1.00 N ATOM 0 H ARG A 68 -27.815 -1.305 -3.568 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.081 0.392 -2.720 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.221 -2.395 -1.926 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -30.623 -1.519 -1.343 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -31.589 -1.484 -3.600 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.155 -2.250 -4.256 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -30.607 -4.243 -2.807 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.090 -3.479 -2.269 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.045 -3.462 -5.131 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -32.361 -5.768 -2.470 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.340 -6.886 -3.426 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.293 -4.860 -6.311 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -33.867 -6.372 -5.599 1.00 1.00 H new ATOM 1074 N SER A 69 -28.265 1.448 -1.403 1.00 1.00 N ATOM 1075 CA SER A 69 -27.456 2.100 -0.423 1.00 1.00 C ATOM 1076 C SER A 69 -28.208 2.171 0.879 1.00 1.00 C ATOM 1077 O SER A 69 -27.630 2.302 1.951 1.00 1.00 O ATOM 1078 CB SER A 69 -27.075 3.500 -0.921 1.00 1.00 C ATOM 1079 OG SER A 69 -28.231 4.237 -1.308 1.00 1.00 O ATOM 0 H SER A 69 -28.722 2.085 -2.055 1.00 1.00 H new ATOM 0 HA SER A 69 -26.538 1.535 -0.259 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.543 4.037 -0.135 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.393 3.416 -1.767 1.00 1.00 H new ATOM 0 HG SER A 69 -27.963 5.126 -1.620 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.504 2.087 0.768 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.373 2.155 1.925 1.00 1.00 C ATOM 1087 C GLY A 70 -30.661 3.587 2.342 1.00 1.00 C ATOM 1088 O GLY A 70 -31.807 3.950 2.586 1.00 1.00 O ATOM 0 H GLY A 70 -29.993 1.970 -0.120 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.312 1.647 1.703 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -29.911 1.622 2.756 1.00 1.00 H new ATOM 1092 N VAL A 71 -29.618 4.410 2.393 1.00 1.00 N ATOM 1093 CA VAL A 71 -29.755 5.819 2.765 1.00 1.00 C ATOM 1094 C VAL A 71 -30.613 6.573 1.752 1.00 1.00 C ATOM 1095 O VAL A 71 -31.416 7.435 2.116 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.379 6.533 2.946 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -27.641 5.959 4.141 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.517 6.420 1.692 1.00 1.00 C ATOM 0 H VAL A 71 -28.662 4.125 2.180 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.254 5.833 3.734 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.576 7.591 3.121 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -26.683 6.466 4.255 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -28.238 6.104 5.041 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -27.471 4.894 3.986 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.567 6.929 1.856 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.332 5.369 1.471 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -28.035 6.881 0.851 1.00 1.00 H new ATOM 1108 N ALA A 72 -30.429 6.256 0.490 1.00 1.00 N ATOM 1109 CA ALA A 72 -31.222 6.847 -0.559 1.00 1.00 C ATOM 1110 C ALA A 72 -32.224 5.831 -1.087 1.00 1.00 C ATOM 1111 O ALA A 72 -33.122 6.158 -1.860 1.00 1.00 O ATOM 1112 CB ALA A 72 -30.321 7.345 -1.667 1.00 1.00 C ATOM 0 H ALA A 72 -29.731 5.587 0.166 1.00 1.00 H new ATOM 0 HA ALA A 72 -31.775 7.697 -0.159 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.927 7.790 -2.456 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -29.635 8.094 -1.270 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -29.750 6.511 -2.075 1.00 1.00 H new ATOM 1118 N GLY A 73 -32.056 4.597 -0.651 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.917 3.525 -1.070 1.00 1.00 C ATOM 1120 C GLY A 73 -32.270 2.682 -2.136 1.00 1.00 C ATOM 1121 O GLY A 73 -31.136 2.209 -1.962 1.00 1.00 O ATOM 0 H GLY A 73 -31.322 4.318 -0.001 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.166 2.900 -0.212 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.853 3.936 -1.448 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.964 2.522 -3.232 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.484 1.738 -4.359 1.00 1.00 C ATOM 1127 C HIS A 74 -32.394 2.610 -5.607 1.00 1.00 C ATOM 1128 O HIS A 74 -33.396 3.152 -6.083 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.335 0.441 -4.598 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.757 0.648 -5.100 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.183 0.259 -6.354 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.839 1.190 -4.501 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.449 0.564 -6.501 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.871 1.131 -5.395 1.00 1.00 N ATOM 0 H HIS A 74 -33.887 2.932 -3.377 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.481 1.387 -4.118 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.807 -0.187 -5.316 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.381 -0.115 -3.662 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.602 -0.196 -7.058 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.881 1.595 -3.501 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.044 0.380 -7.383 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.202 2.738 -6.112 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.899 3.572 -7.242 1.00 1.00 C ATOM 1145 C LEU A 75 -30.217 2.726 -8.251 1.00 1.00 C ATOM 1146 O LEU A 75 -29.570 1.756 -7.895 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.950 4.716 -6.843 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.511 5.833 -5.956 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -30.603 5.384 -4.510 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -29.649 7.080 -6.062 1.00 1.00 C ATOM 0 H LEU A 75 -30.388 2.251 -5.738 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.820 4.006 -7.631 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.095 4.278 -6.329 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.572 5.173 -7.758 1.00 1.00 H new ATOM 0 HG LEU A 75 -31.516 6.068 -6.307 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -31.004 6.195 -3.902 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.261 4.518 -4.439 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -29.610 5.116 -4.148 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.062 7.863 -5.426 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -28.634 6.849 -5.740 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.632 7.424 -7.096 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.338 3.051 -9.483 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.689 2.266 -10.479 1.00 1.00 C ATOM 1164 C ILE A 76 -28.395 2.948 -10.858 1.00 1.00 C ATOM 1165 O ILE A 76 -28.394 4.087 -11.277 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.547 2.069 -11.735 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -32.021 1.798 -11.370 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.985 0.911 -12.538 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.228 0.639 -10.420 1.00 1.00 C ATOM 0 H ILE A 76 -30.874 3.846 -9.831 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.509 1.276 -10.059 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.518 2.983 -12.328 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.443 2.698 -10.923 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.580 1.605 -12.286 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.588 0.763 -13.434 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.957 1.132 -12.825 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -30.005 0.005 -11.933 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.292 0.520 -10.218 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.840 -0.274 -10.870 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.701 0.835 -9.486 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.316 2.261 -10.666 1.00 1.00 N ATOM 1182 CA LEU A 77 -26.004 2.801 -10.931 1.00 1.00 C ATOM 1183 C LEU A 77 -25.318 2.124 -12.108 1.00 1.00 C ATOM 1184 O LEU A 77 -25.719 1.037 -12.552 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.111 2.675 -9.692 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.185 3.788 -8.634 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.591 3.968 -8.107 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.275 3.435 -7.502 1.00 1.00 C ATOM 0 H LEU A 77 -27.310 1.302 -10.319 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.149 3.851 -11.185 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.351 1.732 -9.202 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.077 2.604 -10.031 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.881 4.726 -9.100 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.601 4.763 -7.362 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.257 4.232 -8.929 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.930 3.038 -7.650 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.318 4.217 -6.744 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.589 2.487 -7.065 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.254 3.343 -7.871 1.00 1.00 H new ATOM 1200 N SER A 78 -24.304 2.786 -12.597 1.00 1.00 N ATOM 1201 CA SER A 78 -23.440 2.335 -13.636 1.00 1.00 C ATOM 1202 C SER A 78 -22.305 3.284 -13.603 1.00 1.00 C ATOM 1203 O SER A 78 -22.419 4.354 -12.983 1.00 1.00 O ATOM 1204 CB SER A 78 -24.091 2.434 -14.997 1.00 1.00 C ATOM 1205 OG SER A 78 -23.372 1.679 -15.970 1.00 1.00 O ATOM 0 H SER A 78 -24.050 3.712 -12.253 1.00 1.00 H new ATOM 0 HA SER A 78 -23.165 1.291 -13.485 1.00 1.00 H new ATOM 0 HB2 SER A 78 -25.118 2.073 -14.939 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.138 3.478 -15.305 1.00 1.00 H new ATOM 0 HG SER A 78 -23.816 1.759 -16.840 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.209 2.955 -14.194 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.157 3.899 -14.210 1.00 1.00 C ATOM 1213 C ASP A 79 -20.194 4.720 -15.453 1.00 1.00 C ATOM 1214 O ASP A 79 -19.426 5.637 -15.622 1.00 1.00 O ATOM 1215 CB ASP A 79 -18.789 3.321 -13.885 1.00 1.00 C ATOM 1216 CG ASP A 79 -18.342 2.168 -14.727 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.184 1.439 -15.238 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -17.110 1.960 -14.838 1.00 1.00 O ATOM 0 H ASP A 79 -21.024 2.066 -14.659 1.00 1.00 H new ATOM 0 HA ASP A 79 -20.336 4.579 -13.377 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.050 4.118 -13.975 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.790 3.004 -12.842 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.120 4.382 -16.303 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.451 5.145 -17.463 1.00 1.00 C ATOM 1225 C GLU A 80 -22.959 5.152 -17.586 1.00 1.00 C ATOM 1226 O GLU A 80 -23.540 4.455 -18.417 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.757 4.627 -18.739 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.249 4.875 -18.744 1.00 1.00 C ATOM 1229 CD GLU A 80 -18.545 4.353 -19.969 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -18.732 3.178 -20.316 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -17.764 5.105 -20.583 1.00 1.00 O ATOM 0 H GLU A 80 -21.683 3.537 -16.200 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.081 6.164 -17.350 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.944 3.558 -18.838 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.202 5.110 -19.609 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -19.067 5.947 -18.662 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -18.812 4.410 -17.861 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.292 7.627 -15.087 1.00 1.00 N ATOM 1434 CA LEU A 93 -16.820 6.466 -14.451 1.00 1.00 C ATOM 1435 C LEU A 93 -17.340 6.846 -13.065 1.00 1.00 C ATOM 1436 O LEU A 93 -16.699 7.644 -12.350 1.00 1.00 O ATOM 1437 CB LEU A 93 -15.752 5.381 -14.364 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.136 4.930 -15.696 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.118 3.831 -15.470 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.205 4.475 -16.670 1.00 1.00 C ATOM 0 HA LEU A 93 -17.648 6.067 -15.038 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -14.950 5.740 -13.719 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.188 4.510 -13.875 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.627 5.788 -16.135 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.694 3.526 -16.426 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.323 4.199 -14.821 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.604 2.976 -14.999 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.737 4.162 -17.603 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.755 3.638 -16.241 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -16.892 5.298 -16.867 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.477 6.296 -12.678 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.082 6.635 -11.406 1.00 1.00 C ATOM 1454 C ASN A 94 -18.574 5.719 -10.338 1.00 1.00 C ATOM 1455 O ASN A 94 -18.364 4.548 -10.576 1.00 1.00 O ATOM 1456 CB ASN A 94 -20.624 6.596 -11.474 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.190 7.713 -12.336 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -20.610 8.795 -12.410 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.313 7.473 -12.987 1.00 1.00 N ATOM 0 H ASN A 94 -18.999 5.613 -13.227 1.00 1.00 H new ATOM 0 HA ASN A 94 -18.798 7.659 -11.162 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -20.944 5.634 -11.873 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.032 6.675 -10.466 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -22.727 8.197 -13.575 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.767 6.564 -12.902 1.00 1.00 H new ATOM 1466 N THR A 95 -18.348 6.264 -9.191 1.00 1.00 N ATOM 1467 CA THR A 95 -17.860 5.565 -8.048 1.00 1.00 C ATOM 1468 C THR A 95 -18.962 5.405 -7.045 1.00 1.00 C ATOM 1469 O THR A 95 -20.056 5.969 -7.224 1.00 1.00 O ATOM 1470 CB THR A 95 -16.793 6.426 -7.418 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.156 7.814 -7.624 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.453 6.152 -8.019 1.00 1.00 C ATOM 0 H THR A 95 -18.506 7.256 -9.015 1.00 1.00 H new ATOM 0 HA THR A 95 -17.480 4.586 -8.341 1.00 1.00 H new ATOM 0 HB THR A 95 -16.726 6.201 -6.354 1.00 1.00 H new ATOM 0 HG1 THR A 95 -16.344 8.360 -7.679 1.00 1.00 H new ATOM 0 HG21 THR A 95 -14.705 6.787 -7.545 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.192 5.105 -7.863 1.00 1.00 H new ATOM 0 HG23 THR A 95 -15.484 6.363 -9.088 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.708 4.663 -5.994 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.672 4.592 -4.936 1.00 1.00 C ATOM 1482 C LEU A 96 -19.663 5.906 -4.178 1.00 1.00 C ATOM 1483 O LEU A 96 -20.658 6.285 -3.583 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.510 3.355 -4.024 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.289 3.280 -3.103 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.547 3.993 -1.776 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.927 1.835 -2.862 1.00 1.00 C ATOM 0 H LEU A 96 -17.860 4.113 -5.854 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.658 4.447 -5.378 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.401 3.285 -3.400 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.498 2.472 -4.663 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.457 3.787 -3.592 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.661 3.921 -1.146 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.774 5.042 -1.965 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.391 3.525 -1.270 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.058 1.782 -2.206 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.767 1.323 -2.393 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.694 1.355 -3.812 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.510 6.623 -4.225 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.428 7.968 -3.643 1.00 1.00 C ATOM 1501 C GLN A 97 -19.304 8.946 -4.411 1.00 1.00 C ATOM 1502 O GLN A 97 -19.738 9.953 -3.883 1.00 1.00 O ATOM 1503 CB GLN A 97 -16.992 8.471 -3.603 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.459 9.087 -4.881 1.00 1.00 C ATOM 1505 CD GLN A 97 -14.972 8.924 -4.998 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.247 9.846 -5.386 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.515 7.746 -4.722 1.00 1.00 N ATOM 0 H GLN A 97 -17.646 6.291 -4.653 1.00 1.00 H new ATOM 0 HA GLN A 97 -18.793 7.901 -2.618 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -16.911 9.211 -2.807 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.345 7.637 -3.330 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -16.945 8.622 -5.739 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -16.712 10.147 -4.907 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.150 7.014 -4.404 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.519 7.549 -4.822 1.00 1.00 H new ATOM 1516 N HIS A 98 -19.547 8.640 -5.668 1.00 1.00 N ATOM 1517 CA HIS A 98 -20.347 9.494 -6.526 1.00 1.00 C ATOM 1518 C HIS A 98 -21.777 9.551 -5.990 1.00 1.00 C ATOM 1519 O HIS A 98 -22.419 10.588 -6.032 1.00 1.00 O ATOM 1520 CB HIS A 98 -20.317 8.973 -7.971 1.00 1.00 C ATOM 1521 CG HIS A 98 -20.805 9.935 -9.020 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -19.995 10.883 -9.597 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -22.009 10.064 -9.623 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -20.672 11.544 -10.503 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -21.896 11.066 -10.538 1.00 1.00 N ATOM 0 H HIS A 98 -19.198 7.797 -6.124 1.00 1.00 H new ATOM 0 HA HIS A 98 -19.934 10.503 -6.528 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -19.294 8.687 -8.214 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -20.922 8.068 -8.024 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -22.895 9.481 -9.417 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -20.289 12.346 -11.117 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -22.642 11.393 -11.152 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.258 8.422 -5.489 1.00 1.00 N ATOM 1535 CA TYR A 99 -23.594 8.345 -4.913 1.00 1.00 C ATOM 1536 C TYR A 99 -23.555 8.297 -3.369 1.00 1.00 C ATOM 1537 O TYR A 99 -24.602 8.275 -2.714 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.338 7.135 -5.488 1.00 1.00 C ATOM 1539 CG TYR A 99 -24.696 7.290 -6.967 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -23.778 6.978 -7.975 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -25.947 7.756 -7.351 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.099 7.137 -9.318 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.277 7.910 -8.688 1.00 1.00 C ATOM 1544 CZ TYR A 99 -25.351 7.604 -9.669 1.00 1.00 C ATOM 1545 OH TYR A 99 -25.679 7.783 -11.010 1.00 1.00 O ATOM 0 H TYR A 99 -21.741 7.543 -5.470 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.134 9.253 -5.183 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -23.721 6.245 -5.362 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.251 6.973 -4.915 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -22.801 6.606 -7.705 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -26.676 8.003 -6.593 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -23.374 6.897 -10.082 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.257 8.269 -8.964 1.00 1.00 H new ATOM 0 HH TYR A 99 -26.598 8.116 -11.080 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.341 8.295 -2.816 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.076 8.271 -1.365 1.00 1.00 C ATOM 1557 C LYS A 100 -22.855 7.182 -0.635 1.00 1.00 C ATOM 1558 O LYS A 100 -23.762 7.474 0.160 1.00 1.00 O ATOM 1559 CB LYS A 100 -22.303 9.645 -0.698 1.00 1.00 C ATOM 1560 CG LYS A 100 -21.371 10.761 -1.172 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.902 10.460 -0.861 1.00 1.00 C ATOM 1562 CE LYS A 100 -19.498 10.899 0.535 1.00 1.00 C ATOM 1563 NZ LYS A 100 -19.823 9.891 1.565 1.00 1.00 N ATOM 0 H LYS A 100 -21.488 8.310 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.017 8.028 -1.273 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -23.333 9.953 -0.878 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.188 9.531 0.380 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -21.492 10.901 -2.246 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -21.657 11.698 -0.694 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.724 9.390 -0.967 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.269 10.962 -1.593 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.427 11.099 0.553 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -20.001 11.835 0.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -19.136 9.956 2.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -20.780 10.066 1.932 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -19.782 8.940 1.145 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.532 5.937 -0.916 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.188 4.840 -0.221 1.00 1.00 C ATOM 1579 C VAL A 101 -22.501 4.525 1.115 1.00 1.00 C ATOM 1580 O VAL A 101 -21.300 4.775 1.285 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.301 3.545 -1.081 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.512 3.863 -2.544 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.130 2.571 -0.869 1.00 1.00 C ATOM 0 H VAL A 101 -21.834 5.658 -1.606 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.203 5.187 -0.026 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.189 3.023 -0.725 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.586 2.935 -3.111 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.432 4.435 -2.663 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.670 4.448 -2.914 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.270 1.691 -1.497 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.195 3.063 -1.137 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.094 2.268 0.177 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.259 4.023 2.092 1.00 1.00 N ATOM 1594 CA PRO A 102 -22.715 3.599 3.376 1.00 1.00 C ATOM 1595 C PRO A 102 -22.088 2.219 3.298 1.00 1.00 C ATOM 1596 O PRO A 102 -22.413 1.417 2.405 1.00 1.00 O ATOM 1597 CB PRO A 102 -23.935 3.571 4.278 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.044 3.205 3.367 1.00 1.00 C ATOM 1599 CD PRO A 102 -24.713 3.827 2.034 1.00 1.00 C ATOM 0 HA PRO A 102 -21.922 4.260 3.727 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -23.821 2.843 5.081 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.107 4.540 4.748 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.136 2.122 3.280 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -25.997 3.576 3.744 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -24.996 3.176 1.207 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.239 4.771 1.891 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.174 1.949 4.196 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.590 0.639 4.286 1.00 1.00 C ATOM 1609 C ASP A 103 -21.644 -0.342 4.738 1.00 1.00 C ATOM 1610 O ASP A 103 -22.285 -0.163 5.771 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.320 0.592 5.173 1.00 1.00 C ATOM 1612 CG ASP A 103 -19.578 0.726 6.664 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -19.880 1.851 7.133 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -19.440 -0.285 7.390 1.00 1.00 O ATOM 0 H ASP A 103 -20.819 2.622 4.875 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.240 0.355 3.293 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -18.802 -0.350 4.992 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -18.647 1.391 4.862 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.854 -1.329 3.942 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.868 -2.299 4.218 1.00 1.00 C ATOM 1621 C GLY A 104 -23.955 -2.234 3.175 1.00 1.00 C ATOM 1622 O GLY A 104 -25.015 -2.860 3.321 1.00 1.00 O ATOM 0 H GLY A 104 -21.332 -1.492 3.081 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.430 -3.297 4.235 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.292 -2.120 5.206 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.698 -1.478 2.097 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.676 -1.324 1.045 1.00 1.00 C ATOM 1628 C ALA A 105 -24.850 -2.626 0.261 1.00 1.00 C ATOM 1629 O ALA A 105 -24.007 -3.523 0.315 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.299 -0.182 0.129 1.00 1.00 C ATOM 0 H ALA A 105 -22.825 -0.973 1.944 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.635 -1.085 1.505 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.048 -0.083 -0.656 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.250 0.744 0.703 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.326 -0.382 -0.321 1.00 1.00 H new ATOM 1636 N THR A 106 -25.921 -2.727 -0.454 1.00 1.00 N ATOM 1637 CA THR A 106 -26.238 -3.936 -1.172 1.00 1.00 C ATOM 1638 C THR A 106 -26.355 -3.639 -2.659 1.00 1.00 C ATOM 1639 O THR A 106 -26.974 -2.666 -3.044 1.00 1.00 O ATOM 1640 CB THR A 106 -27.562 -4.542 -0.639 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.446 -4.755 0.778 1.00 1.00 O ATOM 1642 CG2 THR A 106 -27.885 -5.871 -1.321 1.00 1.00 C ATOM 0 H THR A 106 -26.606 -1.980 -0.563 1.00 1.00 H new ATOM 0 HA THR A 106 -25.438 -4.660 -1.019 1.00 1.00 H new ATOM 0 HB THR A 106 -28.369 -3.842 -0.857 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.281 -5.137 1.121 1.00 1.00 H new ATOM 0 HG21 THR A 106 -28.819 -6.267 -0.923 1.00 1.00 H new ATOM 0 HG22 THR A 106 -27.986 -5.714 -2.395 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.080 -6.582 -1.132 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.732 -4.439 -3.481 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.807 -4.229 -4.903 1.00 1.00 C ATOM 1652 C VAL A 107 -26.500 -5.376 -5.566 1.00 1.00 C ATOM 1653 O VAL A 107 -26.255 -6.531 -5.241 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.429 -3.992 -5.562 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.818 -2.734 -5.021 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.478 -5.167 -5.353 1.00 1.00 C ATOM 0 H VAL A 107 -25.169 -5.239 -3.193 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.384 -3.315 -5.045 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.591 -3.894 -6.635 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.847 -2.571 -5.488 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.472 -1.889 -5.238 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.691 -2.826 -3.942 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.524 -4.953 -5.834 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.320 -5.321 -4.286 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -23.910 -6.067 -5.790 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.380 -5.062 -6.452 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.112 -6.060 -7.155 1.00 1.00 C ATOM 1668 C ALA A 108 -27.877 -5.952 -8.641 1.00 1.00 C ATOM 1669 O ALA A 108 -27.870 -4.876 -9.205 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.576 -5.976 -6.831 1.00 1.00 C ATOM 0 H ALA A 108 -27.614 -4.104 -6.711 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.753 -7.037 -6.830 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -30.115 -6.748 -7.380 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.721 -6.123 -5.761 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.956 -4.995 -7.117 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.706 -7.060 -9.248 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.395 -7.150 -10.654 1.00 1.00 C ATOM 1678 C LEU A 109 -28.651 -7.424 -11.443 1.00 1.00 C ATOM 1679 O LEU A 109 -29.385 -8.364 -11.129 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.374 -8.297 -10.861 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.746 -8.465 -12.262 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.420 -9.173 -12.136 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -26.656 -9.259 -13.197 1.00 1.00 C ATOM 0 H LEU A 109 -27.776 -7.966 -8.785 1.00 1.00 H new ATOM 0 HA LEU A 109 -26.969 -6.209 -11.002 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.563 -8.155 -10.147 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.867 -9.234 -10.602 1.00 1.00 H new ATOM 0 HG LEU A 109 -25.607 -7.472 -12.689 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.976 -9.292 -13.124 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -23.752 -8.585 -11.506 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -24.573 -10.154 -11.686 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -26.180 -9.356 -14.173 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.832 -10.250 -12.779 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -27.607 -8.738 -13.308 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.917 -6.607 -12.444 1.00 1.00 N ATOM 1696 CA VAL A 110 -30.035 -6.836 -13.314 1.00 1.00 C ATOM 1697 C VAL A 110 -29.559 -6.814 -14.769 1.00 1.00 C ATOM 1698 O VAL A 110 -28.882 -5.879 -15.188 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.214 -5.827 -13.097 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.761 -5.911 -11.703 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.827 -4.404 -13.402 1.00 1.00 C ATOM 0 H VAL A 110 -28.367 -5.778 -12.669 1.00 1.00 H new ATOM 0 HA VAL A 110 -30.440 -7.817 -13.067 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.989 -6.122 -13.804 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.577 -5.197 -11.589 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -32.132 -6.919 -11.518 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.972 -5.678 -10.988 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.683 -3.750 -13.234 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.007 -4.102 -12.751 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.511 -4.328 -14.442 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.867 -7.853 -15.550 1.00 1.00 N ATOM 1712 CA PRO A 111 -29.447 -7.932 -16.953 1.00 1.00 C ATOM 1713 C PRO A 111 -30.196 -6.924 -17.829 1.00 1.00 C ATOM 1714 O PRO A 111 -31.218 -7.256 -18.443 1.00 1.00 O ATOM 1715 CB PRO A 111 -29.796 -9.374 -17.354 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.883 -9.778 -16.417 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.629 -9.044 -15.130 1.00 1.00 C ATOM 0 HA PRO A 111 -28.391 -7.694 -17.083 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -30.128 -9.427 -18.391 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -28.931 -10.030 -17.262 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.861 -9.522 -16.824 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -30.877 -10.856 -16.257 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.561 -8.769 -14.635 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.062 -9.654 -14.426 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.704 -5.669 -17.812 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.227 -4.510 -18.594 1.00 1.00 C ATOM 1727 C CYS A 112 -31.712 -4.358 -18.406 1.00 1.00 C ATOM 1728 O CYS A 112 -32.441 -3.893 -19.288 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.869 -4.609 -20.079 1.00 1.00 C ATOM 1730 SG CYS A 112 -30.494 -6.059 -20.975 1.00 1.00 S ATOM 0 H CYS A 112 -28.902 -5.416 -17.235 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.740 -3.615 -18.206 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.241 -3.714 -20.579 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -28.783 -4.596 -20.168 1.00 1.00 H new ATOM 0 HG CYS A 112 -31.050 -6.881 -20.136 1.00 1.00 H new