USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 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= 1.2 K(o=2.3,f=-0.5) USER MOD Set 1.2: A 98 HIS : no HE2:sc= 1.05 K(o=2.3,f=-6.8!) USER MOD Set 2.1: A 36 THR OG1 : rot 117:sc= 1.72 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0.964 USER MOD Set 2.3: A 39 GLN : amide:sc= 0.823 K(o=3.5,f=2.7) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.057) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -41:sc= -0.131 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.364 (180deg=-0.596) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 1.3 (180deg=0.956) USER MOD Single : A 44 MET CE :methyl -178:sc= -1.49 (180deg=-1.53) USER MOD Single : A 47 GLN : amide:sc= -1.23 K(o=-1.2,f=-5.6!) USER MOD Single : A 69 SER OG : rot -130:sc= 0.41 USER MOD Single : A 74 HIS : no HE2:sc= 0.0072! C(o=0.0072!,f=-5.4!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 95 THR OG1 : rot -148:sc= -2.58! USER MOD Single : A 97 GLN : amide:sc= -2.71! K(o=-2.7!,f=-1.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00736) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot -1:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -7.907 5.245 -0.189 1.00 1.00 N ATOM 88 CA TYR A 6 -9.267 5.641 -0.343 1.00 1.00 C ATOM 89 C TYR A 6 -9.979 4.898 0.752 1.00 1.00 C ATOM 90 O TYR A 6 -9.316 4.213 1.522 1.00 1.00 O ATOM 91 CB TYR A 6 -9.827 5.255 -1.722 1.00 1.00 C ATOM 92 CG TYR A 6 -9.195 5.992 -2.898 1.00 1.00 C ATOM 93 CD1 TYR A 6 -8.951 7.362 -2.842 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.847 5.321 -4.059 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.383 8.036 -3.906 1.00 1.00 C ATOM 96 CE2 TYR A 6 -8.283 5.990 -5.131 1.00 1.00 C ATOM 97 CZ TYR A 6 -8.056 7.347 -5.046 1.00 1.00 C ATOM 98 OH TYR A 6 -7.492 8.011 -6.111 1.00 1.00 O ATOM 0 HA TYR A 6 -9.390 6.722 -0.280 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.690 4.183 -1.867 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -10.901 5.443 -1.728 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -9.211 7.909 -1.948 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -9.019 4.257 -4.129 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -8.198 9.098 -3.841 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -8.022 5.452 -6.030 1.00 1.00 H new ATOM 0 HH TYR A 6 -7.321 7.377 -6.838 1.00 1.00 H new ATOM 108 N ARG A 7 -11.266 4.993 0.854 1.00 1.00 N ATOM 109 CA ARG A 7 -11.926 4.361 1.985 1.00 1.00 C ATOM 110 C ARG A 7 -12.547 3.037 1.598 1.00 1.00 C ATOM 111 O ARG A 7 -13.492 2.998 0.833 1.00 1.00 O ATOM 112 CB ARG A 7 -12.962 5.290 2.604 1.00 1.00 C ATOM 113 CG ARG A 7 -12.363 6.574 3.135 1.00 1.00 C ATOM 114 CD ARG A 7 -11.505 6.342 4.360 1.00 1.00 C ATOM 115 NE ARG A 7 -10.948 7.597 4.876 1.00 1.00 N ATOM 116 CZ ARG A 7 -10.222 7.712 5.993 1.00 1.00 C ATOM 117 NH1 ARG A 7 -9.976 6.644 6.746 1.00 1.00 N ATOM 118 NH2 ARG A 7 -9.743 8.895 6.348 1.00 1.00 N ATOM 0 H ARG A 7 -11.877 5.482 0.200 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.163 4.158 2.736 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -13.719 5.530 1.857 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -13.470 4.769 3.416 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -11.761 7.042 2.356 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -13.164 7.272 3.381 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -12.101 5.862 5.136 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -10.693 5.658 4.112 1.00 1.00 H new ATOM 0 HE ARG A 7 -11.128 8.447 4.342 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -10.342 5.732 6.472 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -9.422 6.737 7.597 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -9.928 9.715 5.770 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -9.189 8.986 7.199 1.00 1.00 H new ATOM 132 N PRO A 8 -11.977 1.926 2.076 1.00 1.00 N ATOM 133 CA PRO A 8 -12.515 0.598 1.812 1.00 1.00 C ATOM 134 C PRO A 8 -13.897 0.460 2.396 1.00 1.00 C ATOM 135 O PRO A 8 -14.169 0.927 3.507 1.00 1.00 O ATOM 136 CB PRO A 8 -11.542 -0.345 2.525 1.00 1.00 C ATOM 137 CG PRO A 8 -10.308 0.461 2.726 1.00 1.00 C ATOM 138 CD PRO A 8 -10.767 1.875 2.901 1.00 1.00 C ATOM 0 HA PRO A 8 -12.605 0.388 0.746 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -11.949 -0.688 3.476 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.341 -1.233 1.925 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.756 0.118 3.601 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.638 0.370 1.871 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -10.979 2.106 3.945 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.016 2.589 2.563 1.00 1.00 H new ATOM 146 N LEU A 9 -14.761 -0.163 1.674 1.00 1.00 N ATOM 147 CA LEU A 9 -16.096 -0.322 2.103 1.00 1.00 C ATOM 148 C LEU A 9 -16.545 -1.732 1.863 1.00 1.00 C ATOM 149 O LEU A 9 -15.959 -2.451 1.043 1.00 1.00 O ATOM 150 CB LEU A 9 -16.997 0.624 1.346 1.00 1.00 C ATOM 151 CG LEU A 9 -18.350 0.852 1.972 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.289 1.960 2.994 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.378 1.121 0.928 1.00 1.00 C ATOM 0 H LEU A 9 -14.555 -0.577 0.765 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.151 -0.100 3.169 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.491 1.585 1.249 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.140 0.237 0.337 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.645 -0.058 2.494 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.277 2.106 3.432 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.580 1.693 3.778 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -17.966 2.883 2.512 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.346 1.282 1.403 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.099 2.010 0.363 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.443 0.268 0.253 1.00 1.00 H new ATOM 165 N THR A 10 -17.552 -2.126 2.572 1.00 1.00 N ATOM 166 CA THR A 10 -18.136 -3.420 2.409 1.00 1.00 C ATOM 167 C THR A 10 -19.398 -3.259 1.559 1.00 1.00 C ATOM 168 O THR A 10 -20.212 -2.381 1.822 1.00 1.00 O ATOM 169 CB THR A 10 -18.499 -4.017 3.784 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.361 -3.910 4.659 1.00 1.00 O ATOM 171 CG2 THR A 10 -18.892 -5.484 3.649 1.00 1.00 C ATOM 0 H THR A 10 -17.998 -1.554 3.289 1.00 1.00 H new ATOM 0 HA THR A 10 -17.431 -4.094 1.922 1.00 1.00 H new ATOM 0 HB THR A 10 -19.345 -3.465 4.194 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.586 -4.286 5.536 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.144 -5.885 4.631 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.755 -5.570 2.989 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.058 -6.047 3.230 1.00 1.00 H new ATOM 179 N LEU A 11 -19.518 -4.024 0.529 1.00 1.00 N ATOM 180 CA LEU A 11 -20.661 -3.961 -0.326 1.00 1.00 C ATOM 181 C LEU A 11 -21.230 -5.376 -0.475 1.00 1.00 C ATOM 182 O LEU A 11 -20.474 -6.340 -0.594 1.00 1.00 O ATOM 183 CB LEU A 11 -20.261 -3.353 -1.671 1.00 1.00 C ATOM 184 CG LEU A 11 -21.401 -2.943 -2.600 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.301 -1.930 -1.906 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.842 -2.348 -3.882 1.00 1.00 C ATOM 0 H LEU A 11 -18.823 -4.717 0.251 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.435 -3.322 0.098 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.645 -2.474 -1.478 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.634 -4.073 -2.198 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.988 -3.827 -2.848 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -23.111 -1.644 -2.577 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.718 -2.373 -1.002 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.719 -1.047 -1.642 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.664 -2.059 -4.537 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -20.242 -1.470 -3.644 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -20.219 -3.088 -4.385 1.00 1.00 H new ATOM 198 N ASN A 12 -22.526 -5.510 -0.447 1.00 1.00 N ATOM 199 CA ASN A 12 -23.145 -6.817 -0.503 1.00 1.00 C ATOM 200 C ASN A 12 -23.446 -7.204 -1.941 1.00 1.00 C ATOM 201 O ASN A 12 -24.256 -6.540 -2.614 1.00 1.00 O ATOM 202 CB ASN A 12 -24.419 -6.827 0.341 1.00 1.00 C ATOM 203 CG ASN A 12 -25.136 -8.156 0.345 1.00 1.00 C ATOM 204 OD1 ASN A 12 -24.916 -8.995 1.214 1.00 1.00 O ATOM 205 ND2 ASN A 12 -25.988 -8.363 -0.624 1.00 1.00 N ATOM 0 H ASN A 12 -23.182 -4.731 -0.386 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.452 -7.553 -0.095 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.167 -6.558 1.367 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.097 -6.060 -0.032 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.497 -9.246 -0.676 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.144 -7.642 -1.328 1.00 1.00 H new ATOM 212 N ALA A 13 -22.809 -8.271 -2.403 1.00 1.00 N ATOM 213 CA ALA A 13 -22.975 -8.748 -3.761 1.00 1.00 C ATOM 214 C ALA A 13 -24.252 -9.539 -3.865 1.00 1.00 C ATOM 215 O ALA A 13 -24.422 -10.564 -3.185 1.00 1.00 O ATOM 216 CB ALA A 13 -21.793 -9.609 -4.184 1.00 1.00 C ATOM 0 H ALA A 13 -22.163 -8.828 -1.843 1.00 1.00 H new ATOM 0 HA ALA A 13 -23.024 -7.887 -4.428 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.942 -9.954 -5.207 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.877 -9.021 -4.129 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.713 -10.469 -3.519 1.00 1.00 H new ATOM 222 N LEU A 14 -25.147 -9.075 -4.684 1.00 1.00 N ATOM 223 CA LEU A 14 -26.419 -9.705 -4.837 1.00 1.00 C ATOM 224 C LEU A 14 -26.947 -9.451 -6.248 1.00 1.00 C ATOM 225 O LEU A 14 -26.518 -8.513 -6.914 1.00 1.00 O ATOM 226 CB LEU A 14 -27.360 -9.114 -3.787 1.00 1.00 C ATOM 227 CG LEU A 14 -28.718 -9.757 -3.623 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.552 -11.214 -3.211 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.516 -8.984 -2.585 1.00 1.00 C ATOM 0 H LEU A 14 -25.013 -8.247 -5.265 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.343 -10.783 -4.696 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.853 -9.150 -2.823 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.513 -8.062 -4.027 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.259 -9.732 -4.569 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.534 -11.673 -3.094 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.991 -11.747 -3.978 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.012 -11.265 -2.265 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.497 -9.444 -2.463 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -28.986 -9.001 -1.632 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.638 -7.952 -2.914 1.00 1.00 H new ATOM 241 N LEU A 15 -27.849 -10.284 -6.705 1.00 1.00 N ATOM 242 CA LEU A 15 -28.444 -10.110 -8.009 1.00 1.00 C ATOM 243 C LEU A 15 -29.953 -9.982 -7.870 1.00 1.00 C ATOM 244 O LEU A 15 -30.551 -10.595 -6.995 1.00 1.00 O ATOM 245 CB LEU A 15 -28.019 -11.218 -9.008 1.00 1.00 C ATOM 246 CG LEU A 15 -28.782 -12.543 -8.963 1.00 1.00 C ATOM 247 CD1 LEU A 15 -28.326 -13.452 -10.093 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.572 -13.239 -7.645 1.00 1.00 C ATOM 0 H LEU A 15 -28.190 -11.095 -6.190 1.00 1.00 H new ATOM 0 HA LEU A 15 -28.066 -9.184 -8.442 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -28.108 -10.813 -10.016 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.963 -11.433 -8.842 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.843 -12.323 -9.079 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.877 -14.391 -10.049 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -28.514 -12.965 -11.050 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -27.259 -13.652 -9.991 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -29.125 -14.179 -7.638 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.510 -13.441 -7.506 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.929 -12.602 -6.836 1.00 1.00 H new ATOM 260 N ALA A 16 -30.544 -9.165 -8.697 1.00 1.00 N ATOM 261 CA ALA A 16 -31.967 -8.859 -8.613 1.00 1.00 C ATOM 262 C ALA A 16 -32.692 -9.345 -9.851 1.00 1.00 C ATOM 263 O ALA A 16 -33.607 -8.685 -10.351 1.00 1.00 O ATOM 264 CB ALA A 16 -32.145 -7.369 -8.462 1.00 1.00 C ATOM 0 H ALA A 16 -30.060 -8.685 -9.456 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.391 -9.369 -7.748 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.207 -7.134 -8.399 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.644 -7.033 -7.554 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.712 -6.862 -9.324 1.00 1.00 H new ATOM 270 N VAL A 17 -32.291 -10.498 -10.329 1.00 1.00 N ATOM 271 CA VAL A 17 -32.814 -11.069 -11.506 1.00 1.00 C ATOM 272 C VAL A 17 -34.296 -11.458 -11.340 1.00 1.00 C ATOM 273 O VAL A 17 -35.123 -11.181 -12.210 1.00 1.00 O ATOM 274 CB VAL A 17 -31.953 -12.282 -11.868 1.00 1.00 C ATOM 275 CG1 VAL A 17 -32.569 -13.054 -12.953 1.00 1.00 C ATOM 276 CG2 VAL A 17 -30.567 -11.832 -12.268 1.00 1.00 C ATOM 0 H VAL A 17 -31.571 -11.066 -9.883 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.782 -10.338 -12.314 1.00 1.00 H new ATOM 0 HB VAL A 17 -31.879 -12.926 -10.992 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -31.939 -13.911 -13.193 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -33.552 -13.403 -12.638 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -32.674 -12.422 -13.835 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -29.962 -12.702 -12.524 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -30.634 -11.170 -13.131 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -30.104 -11.299 -11.438 1.00 1.00 H new ATOM 286 N GLY A 18 -34.622 -12.071 -10.223 1.00 1.00 N ATOM 287 CA GLY A 18 -35.987 -12.494 -10.005 1.00 1.00 C ATOM 288 C GLY A 18 -36.088 -13.660 -9.052 1.00 1.00 C ATOM 289 O GLY A 18 -36.355 -13.460 -7.876 1.00 1.00 O ATOM 0 H GLY A 18 -33.974 -12.284 -9.465 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -36.564 -11.657 -9.612 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -36.435 -12.770 -10.960 1.00 1.00 H new ATOM 293 N PRO A 19 -35.809 -14.903 -9.521 1.00 1.00 N ATOM 294 CA PRO A 19 -35.957 -16.134 -8.703 1.00 1.00 C ATOM 295 C PRO A 19 -35.030 -16.128 -7.490 1.00 1.00 C ATOM 296 O PRO A 19 -35.300 -16.758 -6.472 1.00 1.00 O ATOM 297 CB PRO A 19 -35.548 -17.251 -9.676 1.00 1.00 C ATOM 298 CG PRO A 19 -34.708 -16.566 -10.697 1.00 1.00 C ATOM 299 CD PRO A 19 -35.324 -15.217 -10.873 1.00 1.00 C ATOM 0 HA PRO A 19 -36.964 -16.244 -8.300 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -34.991 -18.037 -9.166 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -36.420 -17.721 -10.130 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -33.673 -16.486 -10.365 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -34.700 -17.120 -11.636 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -34.598 -14.483 -11.223 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -36.136 -15.234 -11.600 1.00 1.00 H new ATOM 307 N GLY A 20 -33.952 -15.406 -7.620 1.00 1.00 N ATOM 308 CA GLY A 20 -33.008 -15.265 -6.574 1.00 1.00 C ATOM 309 C GLY A 20 -32.632 -13.828 -6.413 1.00 1.00 C ATOM 310 O GLY A 20 -31.476 -13.509 -6.205 1.00 1.00 O ATOM 0 H GLY A 20 -33.712 -14.897 -8.471 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -33.426 -15.646 -5.642 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -32.121 -15.859 -6.792 1.00 1.00 H new ATOM 314 N ALA A 21 -33.632 -12.947 -6.496 1.00 1.00 N ATOM 315 CA ALA A 21 -33.435 -11.475 -6.418 1.00 1.00 C ATOM 316 C ALA A 21 -33.072 -10.986 -4.998 1.00 1.00 C ATOM 317 O ALA A 21 -33.248 -9.803 -4.658 1.00 1.00 O ATOM 318 CB ALA A 21 -34.677 -10.752 -6.916 1.00 1.00 C ATOM 0 H ALA A 21 -34.606 -13.222 -6.619 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.586 -11.240 -7.059 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.521 -9.675 -6.854 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.870 -11.032 -7.952 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.532 -11.031 -6.300 1.00 1.00 H new ATOM 324 N GLY A 22 -32.520 -11.866 -4.219 1.00 1.00 N ATOM 325 CA GLY A 22 -32.194 -11.554 -2.857 1.00 1.00 C ATOM 326 C GLY A 22 -31.799 -12.772 -2.088 1.00 1.00 C ATOM 327 O GLY A 22 -30.846 -12.754 -1.327 1.00 1.00 O ATOM 0 H GLY A 22 -32.283 -12.816 -4.505 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.379 -10.830 -2.835 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.052 -11.083 -2.377 1.00 1.00 H new ATOM 331 N GLU A 23 -32.478 -13.856 -2.357 1.00 1.00 N ATOM 332 CA GLU A 23 -32.262 -15.110 -1.639 1.00 1.00 C ATOM 333 C GLU A 23 -31.144 -15.943 -2.274 1.00 1.00 C ATOM 334 O GLU A 23 -31.060 -17.156 -2.074 1.00 1.00 O ATOM 335 CB GLU A 23 -33.565 -15.900 -1.624 1.00 1.00 C ATOM 336 CG GLU A 23 -34.053 -16.284 -3.010 1.00 1.00 C ATOM 337 CD GLU A 23 -35.424 -16.888 -2.996 1.00 1.00 C ATOM 338 OE1 GLU A 23 -36.407 -16.130 -3.051 1.00 1.00 O ATOM 339 OE2 GLU A 23 -35.535 -18.123 -2.935 1.00 1.00 O ATOM 0 H GLU A 23 -33.198 -13.907 -3.077 1.00 1.00 H new ATOM 0 HA GLU A 23 -31.951 -14.878 -0.620 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -33.426 -16.805 -1.032 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.334 -15.309 -1.127 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.057 -15.399 -3.647 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -33.353 -16.993 -3.453 1.00 1.00 H new ATOM 346 N ALA A 24 -30.283 -15.292 -3.019 1.00 1.00 N ATOM 347 CA ALA A 24 -29.257 -15.992 -3.754 1.00 1.00 C ATOM 348 C ALA A 24 -27.989 -16.184 -2.950 1.00 1.00 C ATOM 349 O ALA A 24 -27.732 -17.257 -2.405 1.00 1.00 O ATOM 350 CB ALA A 24 -28.935 -15.235 -5.010 1.00 1.00 C ATOM 0 H ALA A 24 -30.272 -14.278 -3.132 1.00 1.00 H new ATOM 0 HA ALA A 24 -29.649 -16.982 -3.988 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -28.160 -15.764 -5.565 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.831 -15.154 -5.626 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.580 -14.237 -4.752 1.00 1.00 H new ATOM 356 N GLN A 25 -27.213 -15.134 -2.860 1.00 1.00 N ATOM 357 CA GLN A 25 -25.923 -15.208 -2.249 1.00 1.00 C ATOM 358 C GLN A 25 -25.765 -14.189 -1.140 1.00 1.00 C ATOM 359 O GLN A 25 -25.639 -14.557 0.012 1.00 1.00 O ATOM 360 CB GLN A 25 -24.829 -15.066 -3.326 1.00 1.00 C ATOM 361 CG GLN A 25 -25.032 -13.887 -4.298 1.00 1.00 C ATOM 362 CD GLN A 25 -24.221 -14.005 -5.573 1.00 1.00 C ATOM 363 OE1 GLN A 25 -23.788 -13.009 -6.140 1.00 1.00 O ATOM 364 NE2 GLN A 25 -24.039 -15.205 -6.040 1.00 1.00 N ATOM 0 H GLN A 25 -27.463 -14.209 -3.209 1.00 1.00 H new ATOM 0 HA GLN A 25 -25.817 -16.185 -1.778 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.864 -14.950 -2.832 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -24.783 -15.990 -3.902 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -26.089 -13.817 -4.555 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.765 -12.959 -3.792 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -24.415 -16.010 -5.539 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -23.520 -15.341 -6.907 1.00 1.00 H new ATOM 373 N GLY A 26 -25.799 -12.912 -1.496 1.00 1.00 N ATOM 374 CA GLY A 26 -25.604 -11.858 -0.511 1.00 1.00 C ATOM 375 C GLY A 26 -24.234 -11.953 0.109 1.00 1.00 C ATOM 376 O GLY A 26 -24.093 -12.189 1.315 1.00 1.00 O ATOM 0 H GLY A 26 -25.958 -12.584 -2.449 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.727 -10.884 -0.985 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.366 -11.934 0.265 1.00 1.00 H new ATOM 380 N VAL A 27 -23.228 -11.780 -0.704 1.00 1.00 N ATOM 381 CA VAL A 27 -21.865 -11.953 -0.261 1.00 1.00 C ATOM 382 C VAL A 27 -21.292 -10.624 0.176 1.00 1.00 C ATOM 383 O VAL A 27 -21.350 -9.651 -0.575 1.00 1.00 O ATOM 384 CB VAL A 27 -20.967 -12.536 -1.389 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.607 -12.962 -0.849 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.658 -13.693 -2.080 1.00 1.00 C ATOM 0 H VAL A 27 -23.324 -11.517 -1.685 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.879 -12.654 0.574 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.800 -11.748 -2.124 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -19.003 -13.365 -1.662 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.102 -12.099 -0.415 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.743 -13.726 -0.084 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.012 -14.086 -2.865 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.865 -14.479 -1.354 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.594 -13.348 -2.519 1.00 1.00 H new ATOM 396 N PRO A 28 -20.762 -10.537 1.393 1.00 1.00 N ATOM 397 CA PRO A 28 -20.111 -9.334 1.848 1.00 1.00 C ATOM 398 C PRO A 28 -18.748 -9.196 1.169 1.00 1.00 C ATOM 399 O PRO A 28 -17.771 -9.854 1.546 1.00 1.00 O ATOM 400 CB PRO A 28 -19.960 -9.539 3.361 1.00 1.00 C ATOM 401 CG PRO A 28 -19.987 -11.020 3.561 1.00 1.00 C ATOM 402 CD PRO A 28 -20.777 -11.601 2.420 1.00 1.00 C ATOM 0 HA PRO A 28 -20.667 -8.426 1.614 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -19.027 -9.110 3.725 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.769 -9.053 3.907 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.976 -11.426 3.577 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.446 -11.272 4.517 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.324 -12.520 2.049 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.794 -11.847 2.724 1.00 1.00 H new ATOM 410 N VAL A 29 -18.700 -8.377 0.163 1.00 1.00 N ATOM 411 CA VAL A 29 -17.500 -8.150 -0.610 1.00 1.00 C ATOM 412 C VAL A 29 -16.978 -6.771 -0.284 1.00 1.00 C ATOM 413 O VAL A 29 -17.721 -5.932 0.186 1.00 1.00 O ATOM 414 CB VAL A 29 -17.787 -8.236 -2.135 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.500 -8.293 -2.938 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.673 -9.425 -2.457 1.00 1.00 C ATOM 0 H VAL A 29 -19.503 -7.835 -0.156 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.768 -8.917 -0.358 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.319 -7.328 -2.420 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.736 -8.353 -4.000 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.912 -7.395 -2.747 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.926 -9.172 -2.644 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.858 -9.461 -3.531 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -18.177 -10.344 -2.143 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.621 -9.326 -1.929 1.00 1.00 H new ATOM 426 N LYS A 30 -15.726 -6.539 -0.488 1.00 1.00 N ATOM 427 CA LYS A 30 -15.192 -5.249 -0.193 1.00 1.00 C ATOM 428 C LYS A 30 -14.623 -4.611 -1.437 1.00 1.00 C ATOM 429 O LYS A 30 -14.207 -5.308 -2.381 1.00 1.00 O ATOM 430 CB LYS A 30 -14.149 -5.296 0.916 1.00 1.00 C ATOM 431 CG LYS A 30 -12.799 -5.835 0.490 1.00 1.00 C ATOM 432 CD LYS A 30 -11.795 -5.734 1.613 1.00 1.00 C ATOM 433 CE LYS A 30 -11.495 -4.284 1.964 1.00 1.00 C ATOM 434 NZ LYS A 30 -10.391 -4.167 2.931 1.00 1.00 N ATOM 0 H LYS A 30 -15.057 -7.216 -0.854 1.00 1.00 H new ATOM 0 HA LYS A 30 -16.016 -4.635 0.170 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -14.015 -4.290 1.313 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -14.531 -5.912 1.730 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -12.900 -6.875 0.181 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -12.439 -5.279 -0.375 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -12.178 -6.251 2.493 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -10.873 -6.238 1.324 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -11.241 -3.736 1.056 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -12.390 -3.819 2.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.220 -3.163 3.142 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -10.643 -4.667 3.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.530 -4.588 2.527 1.00 1.00 H new ATOM 448 N VAL A 31 -14.625 -3.318 -1.439 1.00 1.00 N ATOM 449 CA VAL A 31 -14.165 -2.536 -2.547 1.00 1.00 C ATOM 450 C VAL A 31 -13.797 -1.134 -2.031 1.00 1.00 C ATOM 451 O VAL A 31 -14.088 -0.816 -0.875 1.00 1.00 O ATOM 452 CB VAL A 31 -15.260 -2.479 -3.651 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.432 -1.590 -3.257 1.00 1.00 C ATOM 454 CG2 VAL A 31 -14.681 -2.087 -4.988 1.00 1.00 C ATOM 0 H VAL A 31 -14.954 -2.759 -0.652 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.281 -2.988 -2.997 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.658 -3.489 -3.754 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.169 -1.583 -4.060 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -16.891 -1.975 -2.346 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.076 -0.575 -3.082 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -15.475 -2.058 -5.734 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -14.220 -1.102 -4.910 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.929 -2.817 -5.287 1.00 1.00 H new ATOM 464 N LEU A 32 -13.146 -0.318 -2.839 1.00 1.00 N ATOM 465 CA LEU A 32 -12.774 1.006 -2.405 1.00 1.00 C ATOM 466 C LEU A 32 -13.823 2.030 -2.699 1.00 1.00 C ATOM 467 O LEU A 32 -14.621 1.877 -3.622 1.00 1.00 O ATOM 468 CB LEU A 32 -11.468 1.458 -2.999 1.00 1.00 C ATOM 469 CG LEU A 32 -10.206 0.945 -2.342 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.047 1.632 -2.955 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.222 1.222 -0.860 1.00 1.00 C ATOM 0 H LEU A 32 -12.868 -0.551 -3.792 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.663 0.924 -1.324 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.450 1.160 -4.047 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.444 2.548 -2.977 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.138 -0.133 -2.489 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.126 1.275 -2.493 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.023 1.421 -4.024 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.137 2.707 -2.799 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.304 0.844 -0.409 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.293 2.297 -0.691 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.080 0.726 -0.406 1.00 1.00 H new ATOM 483 N ASP A 33 -13.760 3.119 -1.943 1.00 1.00 N ATOM 484 CA ASP A 33 -14.693 4.251 -2.042 1.00 1.00 C ATOM 485 C ASP A 33 -14.629 4.853 -3.418 1.00 1.00 C ATOM 486 O ASP A 33 -15.668 5.305 -3.985 1.00 1.00 O ATOM 487 CB ASP A 33 -14.268 5.307 -1.004 1.00 1.00 C ATOM 488 CG ASP A 33 -15.065 6.594 -1.044 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.172 6.641 -0.484 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.567 7.587 -1.604 1.00 1.00 O ATOM 0 H ASP A 33 -13.046 3.249 -1.226 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.712 3.913 -1.856 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.356 4.873 -0.008 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.215 5.543 -1.157 1.00 1.00 H new ATOM 495 N CYS A 34 -13.428 4.790 -3.996 1.00 1.00 N ATOM 496 CA CYS A 34 -13.163 5.388 -5.275 1.00 1.00 C ATOM 497 C CYS A 34 -13.151 4.359 -6.384 1.00 1.00 C ATOM 498 O CYS A 34 -12.693 4.631 -7.503 1.00 1.00 O ATOM 499 CB CYS A 34 -11.858 6.181 -5.244 1.00 1.00 C ATOM 500 SG CYS A 34 -11.564 7.232 -6.687 1.00 1.00 S ATOM 0 H CYS A 34 -12.624 4.321 -3.580 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.977 6.081 -5.488 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.852 6.806 -4.351 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.028 5.481 -5.148 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.918 6.598 -7.765 1.00 1.00 H new ATOM 506 N ASP A 35 -13.613 3.174 -6.106 1.00 1.00 N ATOM 507 CA ASP A 35 -13.776 2.250 -7.157 1.00 1.00 C ATOM 508 C ASP A 35 -15.073 2.536 -7.824 1.00 1.00 C ATOM 509 O ASP A 35 -16.078 2.831 -7.167 1.00 1.00 O ATOM 510 CB ASP A 35 -13.629 0.788 -6.734 1.00 1.00 C ATOM 511 CG ASP A 35 -12.186 0.281 -6.848 1.00 1.00 C ATOM 512 OD1 ASP A 35 -11.510 0.593 -7.873 1.00 1.00 O ATOM 513 OD2 ASP A 35 -11.711 -0.437 -5.951 1.00 1.00 O ATOM 0 H ASP A 35 -13.875 2.843 -5.177 1.00 1.00 H new ATOM 0 HA ASP A 35 -12.959 2.383 -7.866 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -13.969 0.676 -5.704 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.278 0.168 -7.353 1.00 1.00 H new ATOM 518 N THR A 36 -15.042 2.511 -9.103 1.00 1.00 N ATOM 519 CA THR A 36 -16.179 2.829 -9.898 1.00 1.00 C ATOM 520 C THR A 36 -17.080 1.640 -9.962 1.00 1.00 C ATOM 521 O THR A 36 -16.729 0.602 -9.478 1.00 1.00 O ATOM 522 CB THR A 36 -15.760 3.245 -11.314 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.870 2.258 -11.863 1.00 1.00 O ATOM 524 CG2 THR A 36 -15.055 4.590 -11.277 1.00 1.00 C ATOM 0 H THR A 36 -14.212 2.265 -9.643 1.00 1.00 H new ATOM 0 HA THR A 36 -16.704 3.668 -9.441 1.00 1.00 H new ATOM 0 HB THR A 36 -16.651 3.324 -11.936 1.00 1.00 H new ATOM 0 HG1 THR A 36 -15.285 1.845 -12.649 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.762 4.875 -12.287 1.00 1.00 H new ATOM 0 HG22 THR A 36 -15.729 5.343 -10.868 1.00 1.00 H new ATOM 0 HG23 THR A 36 -14.167 4.518 -10.649 1.00 1.00 H new ATOM 532 N ILE A 37 -18.224 1.788 -10.555 1.00 1.00 N ATOM 533 CA ILE A 37 -19.142 0.690 -10.680 1.00 1.00 C ATOM 534 C ILE A 37 -18.474 -0.453 -11.453 1.00 1.00 C ATOM 535 O ILE A 37 -18.583 -1.609 -11.076 1.00 1.00 O ATOM 536 CB ILE A 37 -20.480 1.130 -11.336 1.00 1.00 C ATOM 537 CG1 ILE A 37 -21.048 2.356 -10.593 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.493 -0.010 -11.316 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.278 2.158 -9.122 1.00 1.00 C ATOM 0 H ILE A 37 -18.549 2.664 -10.964 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.396 0.331 -9.683 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.286 1.397 -12.375 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.363 3.193 -10.729 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.993 2.638 -11.058 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.422 0.321 -11.780 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.094 -0.861 -11.868 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.688 -0.306 -10.285 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.678 3.075 -8.690 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.989 1.346 -8.971 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.334 1.909 -8.636 1.00 1.00 H new ATOM 551 N SER A 38 -17.758 -0.110 -12.510 1.00 1.00 N ATOM 552 CA SER A 38 -16.987 -1.074 -13.279 1.00 1.00 C ATOM 553 C SER A 38 -15.856 -1.700 -12.416 1.00 1.00 C ATOM 554 O SER A 38 -15.678 -2.936 -12.353 1.00 1.00 O ATOM 555 CB SER A 38 -16.396 -0.336 -14.471 1.00 1.00 C ATOM 556 OG SER A 38 -16.045 1.015 -14.103 1.00 1.00 O ATOM 0 H SER A 38 -17.694 0.846 -12.860 1.00 1.00 H new ATOM 0 HA SER A 38 -17.629 -1.891 -13.608 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.512 -0.863 -14.831 1.00 1.00 H new ATOM 0 HB3 SER A 38 -17.115 -0.321 -15.290 1.00 1.00 H new ATOM 0 HG SER A 38 -15.665 1.477 -14.879 1.00 1.00 H new ATOM 562 N GLN A 39 -15.161 -0.844 -11.696 1.00 1.00 N ATOM 563 CA GLN A 39 -14.022 -1.255 -10.903 1.00 1.00 C ATOM 564 C GLN A 39 -14.437 -1.935 -9.609 1.00 1.00 C ATOM 565 O GLN A 39 -13.609 -2.522 -8.896 1.00 1.00 O ATOM 566 CB GLN A 39 -13.057 -0.093 -10.694 1.00 1.00 C ATOM 567 CG GLN A 39 -12.128 0.113 -11.900 1.00 1.00 C ATOM 568 CD GLN A 39 -11.425 1.467 -11.948 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.245 1.549 -12.260 1.00 1.00 O ATOM 570 NE2 GLN A 39 -12.150 2.531 -11.719 1.00 1.00 N ATOM 0 H GLN A 39 -15.369 0.153 -11.644 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.479 -2.016 -11.463 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.624 0.820 -10.514 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -12.457 -0.277 -9.803 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.372 -0.672 -11.896 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -12.710 -0.010 -12.813 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.132 2.433 -11.460 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -11.734 3.459 -11.799 1.00 1.00 H new ATOM 579 N ALA A 40 -15.660 -1.763 -9.257 1.00 1.00 N ATOM 580 CA ALA A 40 -16.260 -2.525 -8.201 1.00 1.00 C ATOM 581 C ALA A 40 -16.803 -3.846 -8.693 1.00 1.00 C ATOM 582 O ALA A 40 -16.785 -4.833 -7.962 1.00 1.00 O ATOM 583 CB ALA A 40 -17.262 -1.727 -7.402 1.00 1.00 C ATOM 0 H ALA A 40 -16.286 -1.085 -9.692 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.463 -2.770 -7.499 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.684 -2.354 -6.617 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -16.766 -0.867 -6.952 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.060 -1.383 -8.059 1.00 1.00 H new ATOM 589 N LYS A 41 -17.258 -3.871 -9.957 1.00 1.00 N ATOM 590 CA LYS A 41 -17.807 -5.088 -10.565 1.00 1.00 C ATOM 591 C LYS A 41 -16.813 -6.174 -10.493 1.00 1.00 C ATOM 592 O LYS A 41 -17.159 -7.317 -10.196 1.00 1.00 O ATOM 593 CB LYS A 41 -18.181 -4.880 -12.037 1.00 1.00 C ATOM 594 CG LYS A 41 -19.550 -4.298 -12.276 1.00 1.00 C ATOM 595 CD LYS A 41 -20.639 -5.353 -12.091 1.00 1.00 C ATOM 596 CE LYS A 41 -21.080 -5.970 -13.427 1.00 1.00 C ATOM 597 NZ LYS A 41 -20.058 -6.868 -14.027 1.00 1.00 N ATOM 0 H LYS A 41 -17.255 -3.060 -10.575 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.708 -5.344 -10.008 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -17.440 -4.224 -12.494 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -18.117 -5.839 -12.550 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -19.721 -3.470 -11.588 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -19.603 -3.890 -13.285 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -20.272 -6.140 -11.432 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.500 -4.902 -11.599 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -22.001 -6.532 -13.273 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -21.308 -5.170 -14.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -20.531 -7.638 -14.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -19.463 -6.326 -14.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -19.463 -7.269 -13.274 1.00 1.00 H new ATOM 611 N GLU A 42 -15.571 -5.812 -10.724 1.00 1.00 N ATOM 612 CA GLU A 42 -14.505 -6.743 -10.686 1.00 1.00 C ATOM 613 C GLU A 42 -14.401 -7.434 -9.335 1.00 1.00 C ATOM 614 O GLU A 42 -14.227 -8.630 -9.287 1.00 1.00 O ATOM 615 CB GLU A 42 -13.192 -6.100 -11.096 1.00 1.00 C ATOM 616 CG GLU A 42 -13.010 -4.663 -10.727 1.00 1.00 C ATOM 617 CD GLU A 42 -11.744 -4.055 -11.311 1.00 1.00 C ATOM 618 OE1 GLU A 42 -11.696 -3.843 -12.522 1.00 1.00 O ATOM 619 OE2 GLU A 42 -10.779 -3.788 -10.541 1.00 1.00 O ATOM 0 H GLU A 42 -15.288 -4.857 -10.943 1.00 1.00 H new ATOM 0 HA GLU A 42 -14.728 -7.519 -11.418 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -12.378 -6.672 -10.651 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.091 -6.190 -12.178 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -13.873 -4.093 -11.072 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -12.982 -4.573 -9.641 1.00 1.00 H new ATOM 626 N LYS A 43 -14.500 -6.679 -8.255 1.00 1.00 N ATOM 627 CA LYS A 43 -14.497 -7.265 -6.903 1.00 1.00 C ATOM 628 C LYS A 43 -15.781 -7.993 -6.546 1.00 1.00 C ATOM 629 O LYS A 43 -15.739 -9.033 -5.912 1.00 1.00 O ATOM 630 CB LYS A 43 -14.132 -6.275 -5.802 1.00 1.00 C ATOM 631 CG LYS A 43 -12.647 -5.979 -5.684 1.00 1.00 C ATOM 632 CD LYS A 43 -11.800 -7.263 -5.534 1.00 1.00 C ATOM 633 CE LYS A 43 -12.078 -8.021 -4.235 1.00 1.00 C ATOM 634 NZ LYS A 43 -11.285 -9.276 -4.154 1.00 1.00 N ATOM 0 H LYS A 43 -14.584 -5.663 -8.275 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.701 -8.008 -6.955 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -14.662 -5.340 -5.982 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.488 -6.665 -4.848 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -12.317 -5.431 -6.567 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.476 -5.332 -4.824 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.997 -7.921 -6.380 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -10.743 -7.000 -5.574 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -11.840 -7.384 -3.383 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.140 -8.256 -4.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -11.268 -9.613 -3.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.719 -10.001 -4.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.312 -9.093 -4.474 1.00 1.00 H new ATOM 648 N MET A 44 -16.908 -7.444 -6.943 1.00 1.00 N ATOM 649 CA MET A 44 -18.210 -8.013 -6.573 1.00 1.00 C ATOM 650 C MET A 44 -18.352 -9.426 -7.118 1.00 1.00 C ATOM 651 O MET A 44 -18.747 -10.349 -6.407 1.00 1.00 O ATOM 652 CB MET A 44 -19.348 -7.165 -7.160 1.00 1.00 C ATOM 653 CG MET A 44 -19.421 -5.730 -6.668 1.00 1.00 C ATOM 654 SD MET A 44 -20.773 -5.452 -5.514 1.00 1.00 S ATOM 655 CE MET A 44 -20.124 -6.221 -4.039 1.00 1.00 C ATOM 0 H MET A 44 -16.962 -6.606 -7.521 1.00 1.00 H new ATOM 0 HA MET A 44 -18.267 -8.025 -5.485 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.245 -7.153 -8.245 1.00 1.00 H new ATOM 0 HB3 MET A 44 -20.295 -7.655 -6.935 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.479 -5.468 -6.186 1.00 1.00 H new ATOM 0 HG3 MET A 44 -19.537 -5.064 -7.523 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.865 -6.162 -3.242 1.00 1.00 H new ATOM 0 HE2 MET A 44 -19.895 -7.267 -4.244 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.215 -5.705 -3.729 1.00 1.00 H new ATOM 665 N LEU A 45 -18.011 -9.587 -8.379 1.00 1.00 N ATOM 666 CA LEU A 45 -18.087 -10.880 -9.020 1.00 1.00 C ATOM 667 C LEU A 45 -16.919 -11.761 -8.615 1.00 1.00 C ATOM 668 O LEU A 45 -17.017 -12.962 -8.642 1.00 1.00 O ATOM 669 CB LEU A 45 -18.268 -10.778 -10.564 1.00 1.00 C ATOM 670 CG LEU A 45 -17.216 -10.017 -11.375 1.00 1.00 C ATOM 671 CD1 LEU A 45 -15.974 -10.852 -11.591 1.00 1.00 C ATOM 672 CD2 LEU A 45 -17.790 -9.568 -12.710 1.00 1.00 C ATOM 0 H LEU A 45 -17.677 -8.835 -8.981 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.993 -11.367 -8.660 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.321 -11.792 -10.959 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.234 -10.311 -10.754 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.932 -9.135 -10.801 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.248 -10.281 -12.170 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.541 -11.117 -10.626 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.236 -11.761 -12.133 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.027 -9.029 -13.271 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.111 -10.440 -13.280 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.644 -8.913 -12.537 1.00 1.00 H new ATOM 684 N ASP A 46 -15.832 -11.117 -8.206 1.00 1.00 N ATOM 685 CA ASP A 46 -14.536 -11.761 -7.853 1.00 1.00 C ATOM 686 C ASP A 46 -14.709 -12.904 -6.876 1.00 1.00 C ATOM 687 O ASP A 46 -14.008 -13.891 -6.944 1.00 1.00 O ATOM 688 CB ASP A 46 -13.615 -10.708 -7.221 1.00 1.00 C ATOM 689 CG ASP A 46 -12.243 -11.195 -6.870 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.397 -11.287 -7.776 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.967 -11.438 -5.672 1.00 1.00 O ATOM 0 H ASP A 46 -15.809 -10.103 -8.102 1.00 1.00 H new ATOM 0 HA ASP A 46 -14.107 -12.167 -8.769 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.521 -9.869 -7.910 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -14.091 -10.326 -6.318 1.00 1.00 H new ATOM 696 N GLN A 47 -15.636 -12.758 -5.980 1.00 1.00 N ATOM 697 CA GLN A 47 -15.876 -13.765 -4.959 1.00 1.00 C ATOM 698 C GLN A 47 -16.524 -15.019 -5.546 1.00 1.00 C ATOM 699 O GLN A 47 -16.286 -16.133 -5.086 1.00 1.00 O ATOM 700 CB GLN A 47 -16.751 -13.202 -3.852 1.00 1.00 C ATOM 701 CG GLN A 47 -16.230 -11.913 -3.238 1.00 1.00 C ATOM 702 CD GLN A 47 -14.881 -12.032 -2.527 1.00 1.00 C ATOM 703 OE1 GLN A 47 -14.020 -12.857 -2.869 1.00 1.00 O ATOM 704 NE2 GLN A 47 -14.695 -11.212 -1.527 1.00 1.00 N ATOM 0 H GLN A 47 -16.252 -11.947 -5.925 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.908 -14.047 -4.544 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -17.750 -13.024 -4.250 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -16.850 -13.951 -3.066 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -16.144 -11.163 -4.024 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -16.968 -11.544 -2.525 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -15.424 -10.545 -1.272 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -13.821 -11.238 -1.002 1.00 1.00 H new ATOM 713 N LEU A 48 -17.338 -14.833 -6.554 1.00 1.00 N ATOM 714 CA LEU A 48 -18.071 -15.937 -7.149 1.00 1.00 C ATOM 715 C LEU A 48 -17.306 -16.475 -8.334 1.00 1.00 C ATOM 716 O LEU A 48 -17.102 -17.667 -8.484 1.00 1.00 O ATOM 717 CB LEU A 48 -19.472 -15.472 -7.616 1.00 1.00 C ATOM 718 CG LEU A 48 -20.494 -15.067 -6.533 1.00 1.00 C ATOM 719 CD1 LEU A 48 -20.467 -16.028 -5.358 1.00 1.00 C ATOM 720 CD2 LEU A 48 -20.273 -13.628 -6.075 1.00 1.00 C ATOM 0 H LEU A 48 -17.515 -13.926 -6.986 1.00 1.00 H new ATOM 0 HA LEU A 48 -18.189 -16.718 -6.398 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.337 -14.621 -8.284 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.911 -16.275 -8.208 1.00 1.00 H new ATOM 0 HG LEU A 48 -21.486 -15.124 -6.981 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -21.199 -15.713 -4.614 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.710 -17.033 -5.704 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -19.473 -16.029 -4.911 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -21.008 -13.372 -5.312 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.270 -13.528 -5.660 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -20.383 -12.955 -6.925 1.00 1.00 H new ATOM 964 N LEU A 63 -25.636 -4.240 -18.283 1.00 1.00 N ATOM 965 CA LEU A 63 -26.424 -4.748 -17.227 1.00 1.00 C ATOM 966 C LEU A 63 -26.496 -3.640 -16.249 1.00 1.00 C ATOM 967 O LEU A 63 -25.699 -2.744 -16.331 1.00 1.00 O ATOM 968 CB LEU A 63 -25.818 -6.043 -16.610 1.00 1.00 C ATOM 969 CG LEU A 63 -24.479 -5.931 -15.848 1.00 1.00 C ATOM 970 CD1 LEU A 63 -24.689 -5.474 -14.404 1.00 1.00 C ATOM 971 CD2 LEU A 63 -23.764 -7.260 -15.873 1.00 1.00 C ATOM 0 HA LEU A 63 -27.413 -5.053 -17.568 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.556 -6.463 -15.927 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.683 -6.764 -17.416 1.00 1.00 H new ATOM 0 HG LEU A 63 -23.869 -5.179 -16.348 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -23.725 -5.407 -13.900 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -25.170 -4.496 -14.398 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.322 -6.193 -13.883 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -22.820 -7.176 -15.334 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -24.387 -8.017 -15.397 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -23.568 -7.548 -16.906 1.00 1.00 H new ATOM 983 N ASP A 64 -27.405 -3.663 -15.368 1.00 1.00 N ATOM 984 CA ASP A 64 -27.529 -2.568 -14.452 1.00 1.00 C ATOM 985 C ASP A 64 -27.426 -3.079 -13.055 1.00 1.00 C ATOM 986 O ASP A 64 -27.725 -4.242 -12.802 1.00 1.00 O ATOM 987 CB ASP A 64 -28.859 -1.849 -14.661 1.00 1.00 C ATOM 988 CG ASP A 64 -29.013 -1.296 -16.063 1.00 1.00 C ATOM 989 OD1 ASP A 64 -28.477 -0.203 -16.360 1.00 1.00 O ATOM 990 OD2 ASP A 64 -29.664 -1.959 -16.891 1.00 1.00 O ATOM 0 H ASP A 64 -28.082 -4.416 -15.245 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.725 -1.854 -14.632 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.677 -2.540 -14.456 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.943 -1.034 -13.942 1.00 1.00 H new ATOM 995 N VAL A 65 -26.983 -2.262 -12.153 1.00 1.00 N ATOM 996 CA VAL A 65 -26.940 -2.673 -10.783 1.00 1.00 C ATOM 997 C VAL A 65 -27.816 -1.756 -9.951 1.00 1.00 C ATOM 998 O VAL A 65 -27.621 -0.548 -9.918 1.00 1.00 O ATOM 999 CB VAL A 65 -25.471 -2.769 -10.209 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.675 -1.498 -10.422 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.466 -3.156 -8.741 1.00 1.00 C ATOM 0 H VAL A 65 -26.649 -1.316 -12.335 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.333 -3.688 -10.727 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.980 -3.559 -10.776 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.674 -1.622 -10.008 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.603 -1.289 -11.489 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.174 -0.668 -9.922 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.438 -3.212 -8.383 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -26.011 -2.407 -8.166 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.946 -4.127 -8.619 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.789 -2.324 -9.299 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.680 -1.562 -8.515 1.00 1.00 C ATOM 1013 C GLU A 66 -29.207 -1.537 -7.096 1.00 1.00 C ATOM 1014 O GLU A 66 -29.132 -2.568 -6.422 1.00 1.00 O ATOM 1015 CB GLU A 66 -31.116 -2.076 -8.617 1.00 1.00 C ATOM 1016 CG GLU A 66 -32.111 -1.224 -7.844 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.543 -1.615 -8.072 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.987 -2.621 -7.533 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.269 -0.872 -8.773 1.00 1.00 O ATOM 0 H GLU A 66 -28.976 -3.327 -9.304 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.690 -0.543 -8.901 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.411 -2.107 -9.666 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -31.157 -3.100 -8.244 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.889 -1.297 -6.779 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.979 -0.180 -8.127 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.886 -0.381 -6.662 1.00 1.00 N ATOM 1027 CA TRP A 67 -28.446 -0.164 -5.329 1.00 1.00 C ATOM 1028 C TRP A 67 -29.656 -0.061 -4.452 1.00 1.00 C ATOM 1029 O TRP A 67 -30.490 0.810 -4.649 1.00 1.00 O ATOM 1030 CB TRP A 67 -27.632 1.122 -5.261 1.00 1.00 C ATOM 1031 CG TRP A 67 -27.358 1.588 -3.867 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -26.968 0.830 -2.802 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -27.466 2.926 -3.388 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -26.852 1.615 -1.696 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -27.138 2.907 -2.029 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -27.806 4.138 -3.980 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -27.145 4.049 -1.249 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -27.810 5.274 -3.201 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -27.481 5.222 -1.855 1.00 1.00 C ATOM 0 H TRP A 67 -28.920 0.465 -7.231 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.814 -0.987 -4.995 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.684 0.969 -5.776 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -28.164 1.907 -5.799 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.780 -0.233 -2.832 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -26.592 1.289 -0.765 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -28.061 4.187 -5.028 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -26.894 4.012 -0.199 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -28.074 6.222 -3.646 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -27.491 6.132 -1.274 1.00 1.00 H new ATOM 1050 N ARG A 68 -29.763 -0.946 -3.504 1.00 1.00 N ATOM 1051 CA ARG A 68 -30.892 -0.959 -2.642 1.00 1.00 C ATOM 1052 C ARG A 68 -30.437 -0.840 -1.199 1.00 1.00 C ATOM 1053 O ARG A 68 -30.175 -1.838 -0.535 1.00 1.00 O ATOM 1054 CB ARG A 68 -31.705 -2.258 -2.849 1.00 1.00 C ATOM 1055 CG ARG A 68 -32.256 -2.426 -4.269 1.00 1.00 C ATOM 1056 CD ARG A 68 -33.067 -3.706 -4.448 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.243 -4.927 -4.431 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.749 -6.176 -4.304 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -34.055 -6.352 -4.195 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -31.947 -7.238 -4.293 1.00 1.00 N ATOM 0 H ARG A 68 -29.072 -1.671 -3.313 1.00 1.00 H new ATOM 0 HA ARG A 68 -31.534 -0.110 -2.879 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -31.072 -3.113 -2.612 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -32.536 -2.271 -2.143 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.883 -1.568 -4.513 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -31.427 -2.426 -4.977 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -33.813 -3.769 -3.656 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -33.609 -3.655 -5.392 1.00 1.00 H new ATOM 0 HE ARG A 68 -31.232 -4.825 -4.520 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -34.681 -5.547 -4.207 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -34.437 -7.293 -4.099 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -30.938 -7.116 -4.381 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -32.341 -8.174 -4.197 1.00 1.00 H new ATOM 1074 N SER A 69 -30.314 0.383 -0.724 1.00 1.00 N ATOM 1075 CA SER A 69 -29.992 0.618 0.669 1.00 1.00 C ATOM 1076 C SER A 69 -31.271 0.683 1.462 1.00 1.00 C ATOM 1077 O SER A 69 -31.290 0.534 2.692 1.00 1.00 O ATOM 1078 CB SER A 69 -29.201 1.916 0.833 1.00 1.00 C ATOM 1079 OG SER A 69 -29.893 3.029 0.268 1.00 1.00 O ATOM 0 H SER A 69 -30.432 1.229 -1.282 1.00 1.00 H new ATOM 0 HA SER A 69 -29.372 -0.200 1.036 1.00 1.00 H new ATOM 0 HB2 SER A 69 -29.018 2.100 1.892 1.00 1.00 H new ATOM 0 HB3 SER A 69 -28.227 1.812 0.355 1.00 1.00 H new ATOM 0 HG SER A 69 -29.286 3.529 -0.316 1.00 1.00 H new ATOM 1085 N GLY A 70 -32.339 0.935 0.753 1.00 1.00 N ATOM 1086 CA GLY A 70 -33.639 1.004 1.363 1.00 1.00 C ATOM 1087 C GLY A 70 -33.958 2.393 1.846 1.00 1.00 C ATOM 1088 O GLY A 70 -34.977 2.963 1.466 1.00 1.00 O ATOM 0 H GLY A 70 -32.333 1.097 -0.254 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -34.395 0.687 0.644 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -33.684 0.309 2.201 1.00 1.00 H new ATOM 1092 N VAL A 71 -33.076 2.949 2.669 1.00 1.00 N ATOM 1093 CA VAL A 71 -33.252 4.299 3.196 1.00 1.00 C ATOM 1094 C VAL A 71 -33.207 5.350 2.081 1.00 1.00 C ATOM 1095 O VAL A 71 -34.013 6.265 2.059 1.00 1.00 O ATOM 1096 CB VAL A 71 -32.234 4.640 4.317 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -32.502 3.789 5.546 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -30.802 4.443 3.847 1.00 1.00 C ATOM 0 H VAL A 71 -32.227 2.483 2.988 1.00 1.00 H new ATOM 0 HA VAL A 71 -34.244 4.323 3.647 1.00 1.00 H new ATOM 0 HB VAL A 71 -32.361 5.692 4.574 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -31.781 4.038 6.325 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -33.511 3.983 5.910 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -32.406 2.735 5.286 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -30.116 4.691 4.657 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -30.655 3.404 3.552 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -30.606 5.093 2.994 1.00 1.00 H new ATOM 1108 N ALA A 72 -32.280 5.191 1.146 1.00 1.00 N ATOM 1109 CA ALA A 72 -32.193 6.100 0.014 1.00 1.00 C ATOM 1110 C ALA A 72 -33.047 5.563 -1.118 1.00 1.00 C ATOM 1111 O ALA A 72 -33.276 6.233 -2.137 1.00 1.00 O ATOM 1112 CB ALA A 72 -30.752 6.257 -0.433 1.00 1.00 C ATOM 0 H ALA A 72 -31.583 4.446 1.149 1.00 1.00 H new ATOM 0 HA ALA A 72 -32.560 7.083 0.309 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.706 6.941 -1.281 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -30.158 6.658 0.388 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -30.355 5.286 -0.728 1.00 1.00 H new ATOM 1118 N GLY A 73 -33.504 4.347 -0.926 1.00 1.00 N ATOM 1119 CA GLY A 73 -34.337 3.698 -1.869 1.00 1.00 C ATOM 1120 C GLY A 73 -33.573 2.696 -2.669 1.00 1.00 C ATOM 1121 O GLY A 73 -32.736 1.944 -2.126 1.00 1.00 O ATOM 0 H GLY A 73 -33.297 3.789 -0.098 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -35.159 3.203 -1.351 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -34.780 4.438 -2.536 1.00 1.00 H new ATOM 1125 N HIS A 74 -33.849 2.680 -3.929 1.00 1.00 N ATOM 1126 CA HIS A 74 -33.208 1.809 -4.875 1.00 1.00 C ATOM 1127 C HIS A 74 -32.903 2.565 -6.155 1.00 1.00 C ATOM 1128 O HIS A 74 -33.810 3.061 -6.833 1.00 1.00 O ATOM 1129 CB HIS A 74 -34.024 0.512 -5.127 1.00 1.00 C ATOM 1130 CG HIS A 74 -35.439 0.676 -5.640 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.858 0.205 -6.864 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -36.535 1.202 -5.061 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -37.140 0.439 -7.009 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -37.575 1.040 -5.932 1.00 1.00 N ATOM 0 H HIS A 74 -34.549 3.290 -4.350 1.00 1.00 H new ATOM 0 HA HIS A 74 -32.261 1.478 -4.448 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -33.474 -0.100 -5.842 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -34.066 -0.048 -4.193 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -35.263 -0.255 -7.552 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -36.583 1.667 -4.087 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.736 0.179 -7.872 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.634 2.658 -6.478 1.00 1.00 N ATOM 1144 CA LEU A 75 -31.182 3.440 -7.598 1.00 1.00 C ATOM 1145 C LEU A 75 -30.398 2.585 -8.551 1.00 1.00 C ATOM 1146 O LEU A 75 -29.694 1.684 -8.130 1.00 1.00 O ATOM 1147 CB LEU A 75 -30.298 4.581 -7.097 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.949 5.584 -6.135 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -29.953 6.645 -5.724 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -32.179 6.226 -6.754 1.00 1.00 C ATOM 0 H LEU A 75 -30.885 2.190 -5.967 1.00 1.00 H new ATOM 0 HA LEU A 75 -32.050 3.844 -8.118 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.430 4.147 -6.600 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.928 5.130 -7.963 1.00 1.00 H new ATOM 0 HG LEU A 75 -31.267 5.036 -5.248 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -30.431 7.348 -5.042 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -29.105 6.175 -5.225 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -29.604 7.178 -6.608 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -32.616 6.931 -6.047 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.895 6.754 -7.664 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -32.910 5.454 -6.996 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.513 2.857 -9.823 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.781 2.103 -10.807 1.00 1.00 C ATOM 1164 C ILE A 76 -28.419 2.736 -11.031 1.00 1.00 C ATOM 1165 O ILE A 76 -28.310 3.846 -11.572 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.543 2.033 -12.154 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.985 1.577 -11.932 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.837 1.098 -13.113 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.102 0.303 -11.145 1.00 1.00 C ATOM 0 H ILE A 76 -31.106 3.595 -10.203 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.664 1.087 -10.429 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.560 3.031 -12.591 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.530 2.365 -11.413 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.467 1.441 -12.900 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.385 1.060 -14.054 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.826 1.461 -13.296 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.791 0.099 -12.680 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.154 0.043 -11.028 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.586 -0.499 -11.673 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.651 0.440 -10.162 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.405 2.037 -10.610 1.00 1.00 N ATOM 1182 CA LEU A 77 -26.044 2.471 -10.728 1.00 1.00 C ATOM 1183 C LEU A 77 -25.382 1.809 -11.916 1.00 1.00 C ATOM 1184 O LEU A 77 -25.767 0.701 -12.324 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.247 2.140 -9.453 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.283 3.160 -8.304 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.696 3.423 -7.831 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.421 2.672 -7.154 1.00 1.00 C ATOM 0 H LEU A 77 -27.505 1.125 -10.163 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.051 3.552 -10.869 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.611 1.188 -9.068 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.205 1.992 -9.737 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.885 4.103 -8.679 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.678 4.149 -7.018 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.289 3.817 -8.657 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -27.140 2.493 -7.477 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.451 3.399 -6.343 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.799 1.714 -6.797 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.393 2.551 -7.496 1.00 1.00 H new ATOM 1200 N SER A 78 -24.423 2.479 -12.474 1.00 1.00 N ATOM 1201 CA SER A 78 -23.649 1.970 -13.564 1.00 1.00 C ATOM 1202 C SER A 78 -22.412 2.782 -13.667 1.00 1.00 C ATOM 1203 O SER A 78 -22.313 3.850 -13.067 1.00 1.00 O ATOM 1204 CB SER A 78 -24.410 2.044 -14.875 1.00 1.00 C ATOM 1205 OG SER A 78 -23.715 1.395 -15.924 1.00 1.00 O ATOM 0 H SER A 78 -24.150 3.416 -12.178 1.00 1.00 H new ATOM 0 HA SER A 78 -23.419 0.921 -13.375 1.00 1.00 H new ATOM 0 HB2 SER A 78 -25.392 1.586 -14.752 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.576 3.088 -15.140 1.00 1.00 H new ATOM 0 HG SER A 78 -24.236 1.462 -16.752 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.465 2.300 -14.395 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.255 3.019 -14.596 1.00 1.00 C ATOM 1213 C ASP A 79 -20.546 4.191 -15.500 1.00 1.00 C ATOM 1214 O ASP A 79 -19.958 5.254 -15.370 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.171 2.105 -15.155 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.351 1.701 -16.604 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -20.340 1.032 -16.923 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.477 2.016 -17.414 1.00 1.00 O ATOM 0 H ASP A 79 -21.507 1.397 -14.868 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.872 3.397 -13.648 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.208 2.605 -15.051 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -19.129 1.202 -14.545 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.506 3.983 -16.365 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.980 4.970 -17.273 1.00 1.00 C ATOM 1225 C GLU A 80 -23.519 4.840 -17.286 1.00 1.00 C ATOM 1226 O GLU A 80 -24.087 4.134 -18.106 1.00 1.00 O ATOM 1227 CB GLU A 80 -21.343 4.707 -18.668 1.00 1.00 C ATOM 1228 CG GLU A 80 -21.562 5.795 -19.701 1.00 1.00 C ATOM 1229 CD GLU A 80 -20.752 5.587 -20.970 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -21.159 4.777 -21.840 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -19.707 6.255 -21.132 1.00 1.00 O ATOM 0 H GLU A 80 -21.989 3.089 -16.451 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.708 5.986 -16.987 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.270 4.565 -18.537 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.743 3.772 -19.060 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -22.621 5.837 -19.956 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -21.301 6.759 -19.265 1.00 1.00 H new ATOM 1433 N LEU A 93 -17.448 8.404 -14.466 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.710 7.053 -14.018 1.00 1.00 C ATOM 1435 C LEU A 93 -18.231 7.135 -12.599 1.00 1.00 C ATOM 1436 O LEU A 93 -17.766 7.980 -11.812 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.441 6.200 -14.051 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.842 5.888 -15.423 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.497 5.205 -15.255 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.776 5.012 -16.243 1.00 1.00 C ATOM 0 HA LEU A 93 -18.438 6.584 -14.680 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.679 6.705 -13.457 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.657 5.254 -13.554 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.705 6.827 -15.959 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -14.075 4.985 -16.236 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.821 5.862 -14.708 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.627 4.276 -14.700 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -16.324 4.807 -17.213 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.949 4.073 -15.717 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.725 5.528 -16.387 1.00 1.00 H new ATOM 1452 N ASN A 94 -19.177 6.297 -12.254 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.779 6.390 -10.943 1.00 1.00 C ATOM 1454 C ASN A 94 -19.041 5.549 -9.954 1.00 1.00 C ATOM 1455 O ASN A 94 -18.612 4.453 -10.274 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.245 5.989 -10.967 1.00 1.00 C ATOM 1457 CG ASN A 94 -22.120 6.992 -11.676 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -22.495 8.012 -11.103 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.447 6.713 -12.904 1.00 1.00 N ATOM 0 H ASN A 94 -19.543 5.554 -12.849 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.716 7.435 -10.638 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.343 5.020 -11.457 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.599 5.866 -9.943 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.039 7.354 -13.432 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.111 5.853 -13.338 1.00 1.00 H new ATOM 1466 N THR A 95 -18.869 6.077 -8.777 1.00 1.00 N ATOM 1467 CA THR A 95 -18.250 5.410 -7.693 1.00 1.00 C ATOM 1468 C THR A 95 -19.281 5.135 -6.653 1.00 1.00 C ATOM 1469 O THR A 95 -20.417 5.641 -6.745 1.00 1.00 O ATOM 1470 CB THR A 95 -17.244 6.337 -7.063 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.771 7.668 -7.096 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.921 6.273 -7.759 1.00 1.00 C ATOM 0 H THR A 95 -19.172 7.023 -8.548 1.00 1.00 H new ATOM 0 HA THR A 95 -17.781 4.493 -8.049 1.00 1.00 H new ATOM 0 HB THR A 95 -17.071 6.028 -6.032 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.035 8.309 -7.188 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.222 6.956 -7.276 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.531 5.257 -7.706 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.045 6.560 -8.803 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.918 4.365 -5.660 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.814 4.167 -4.558 1.00 1.00 C ATOM 1482 C LEU A 96 -19.934 5.470 -3.796 1.00 1.00 C ATOM 1483 O LEU A 96 -20.976 5.768 -3.228 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.415 2.975 -3.647 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.211 3.144 -2.697 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.595 3.858 -1.396 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.607 1.794 -2.392 1.00 1.00 C ATOM 0 H LEU A 96 -18.026 3.875 -5.594 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.792 3.886 -4.950 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.283 2.717 -3.040 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.211 2.120 -4.291 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.476 3.770 -3.203 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.715 3.954 -0.760 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.985 4.849 -1.627 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.358 3.280 -0.875 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -16.757 1.919 -1.721 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.355 1.160 -1.916 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.272 1.328 -3.318 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.841 6.269 -3.812 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.828 7.562 -3.143 1.00 1.00 C ATOM 1501 C GLN A 97 -19.826 8.540 -3.767 1.00 1.00 C ATOM 1502 O GLN A 97 -20.296 9.452 -3.103 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.431 8.164 -3.158 1.00 1.00 C ATOM 1504 CG GLN A 97 -17.065 8.932 -4.431 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.589 8.943 -4.684 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -15.017 9.938 -5.126 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.986 7.819 -4.480 1.00 1.00 N ATOM 0 H GLN A 97 -17.968 6.030 -4.282 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.131 7.389 -2.110 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.334 8.837 -2.306 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.706 7.363 -3.015 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.574 8.482 -5.283 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.425 9.958 -4.350 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.504 7.022 -4.112 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.991 7.729 -4.687 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.136 8.350 -5.041 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.044 9.249 -5.739 1.00 1.00 C ATOM 1518 C HIS A 98 -22.443 9.152 -5.149 1.00 1.00 C ATOM 1519 O HIS A 98 -23.124 10.145 -4.988 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.072 8.968 -7.251 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.714 10.072 -8.053 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -22.473 9.857 -9.183 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -21.690 11.416 -7.882 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -22.889 11.009 -9.659 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -22.426 11.967 -8.891 1.00 1.00 N ATOM 0 H HIS A 98 -19.774 7.585 -5.611 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.674 10.265 -5.603 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.052 8.818 -7.604 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.611 8.038 -7.430 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -22.680 8.944 -9.588 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.183 11.952 -7.094 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -23.507 11.144 -10.534 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.848 7.952 -4.825 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.166 7.733 -4.259 1.00 1.00 C ATOM 1536 C TYR A 99 -24.077 7.570 -2.736 1.00 1.00 C ATOM 1537 O TYR A 99 -25.102 7.538 -2.037 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.813 6.501 -4.912 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.075 6.674 -6.403 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.072 6.450 -7.344 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.317 7.085 -6.863 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.307 6.629 -8.696 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.557 7.266 -8.211 1.00 1.00 C ATOM 1544 CZ TYR A 99 -25.551 7.031 -9.125 1.00 1.00 C ATOM 1545 OH TYR A 99 -25.789 7.234 -10.478 1.00 1.00 O ATOM 0 H TYR A 99 -22.289 7.107 -4.941 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.792 8.602 -4.463 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.165 5.637 -4.762 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.755 6.284 -4.408 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.095 6.131 -7.013 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.111 7.267 -6.154 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -23.517 6.454 -9.411 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.530 7.591 -8.549 1.00 1.00 H new ATOM 0 HH TYR A 99 -26.719 7.514 -10.608 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.833 7.506 -2.248 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.494 7.314 -0.831 1.00 1.00 C ATOM 1557 C LYS A 100 -23.193 6.125 -0.208 1.00 1.00 C ATOM 1558 O LYS A 100 -23.972 6.275 0.732 1.00 1.00 O ATOM 1559 CB LYS A 100 -22.669 8.594 0.017 1.00 1.00 C ATOM 1560 CG LYS A 100 -21.622 9.666 -0.252 1.00 1.00 C ATOM 1561 CD LYS A 100 -20.232 9.197 0.190 1.00 1.00 C ATOM 1562 CE LYS A 100 -19.157 10.221 -0.128 1.00 1.00 C ATOM 1563 NZ LYS A 100 -19.277 11.430 0.696 1.00 1.00 N ATOM 0 H LYS A 100 -22.010 7.589 -2.844 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.428 7.085 -0.826 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -23.658 9.011 -0.174 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.635 8.325 1.073 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -21.608 9.907 -1.315 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -21.887 10.580 0.279 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -20.240 9.001 1.262 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.993 8.255 -0.304 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.175 9.774 0.028 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -19.219 10.494 -1.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -18.493 12.077 0.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -20.181 11.901 0.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -19.242 11.169 1.702 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.921 4.939 -0.732 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.506 3.747 -0.179 1.00 1.00 C ATOM 1579 C VAL A 101 -22.867 3.456 1.194 1.00 1.00 C ATOM 1580 O VAL A 101 -21.652 3.632 1.370 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.391 2.502 -1.145 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.741 2.872 -2.572 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.029 1.836 -1.093 1.00 1.00 C ATOM 0 H VAL A 101 -22.305 4.786 -1.530 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.574 3.924 -0.053 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.118 1.776 -0.782 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.651 1.992 -3.209 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.765 3.245 -2.611 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -23.059 3.646 -2.925 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.012 0.988 -1.778 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.262 2.553 -1.385 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -21.833 1.487 -0.079 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.671 3.085 2.191 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.169 2.760 3.530 1.00 1.00 C ATOM 1595 C PRO A 102 -22.367 1.462 3.522 1.00 1.00 C ATOM 1596 O PRO A 102 -22.476 0.662 2.582 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.451 2.600 4.358 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.484 2.204 3.364 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.142 2.957 2.111 1.00 1.00 C ATOM 0 HA PRO A 102 -22.493 3.520 3.922 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.332 1.842 5.132 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.718 3.529 4.861 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.471 1.128 3.191 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.484 2.458 3.714 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.452 2.415 1.217 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.631 3.931 2.079 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.542 1.259 4.525 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.788 0.022 4.613 1.00 1.00 C ATOM 1609 C ASP A 103 -21.722 -1.130 4.847 1.00 1.00 C ATOM 1610 O ASP A 103 -22.437 -1.186 5.835 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.645 0.066 5.658 1.00 1.00 C ATOM 1612 CG ASP A 103 -20.103 0.253 7.084 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -20.520 1.378 7.434 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -20.023 -0.705 7.879 1.00 1.00 O ATOM 0 H ASP A 103 -21.375 1.922 5.282 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.286 -0.119 3.656 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.075 -0.861 5.592 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -18.965 0.878 5.399 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.728 -2.024 3.913 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.619 -3.134 3.956 1.00 1.00 C ATOM 1621 C GLY A 104 -23.858 -2.852 3.155 1.00 1.00 C ATOM 1622 O GLY A 104 -24.907 -3.446 3.398 1.00 1.00 O ATOM 0 H GLY A 104 -21.114 -2.004 3.098 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.121 -4.021 3.565 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -22.889 -3.350 4.990 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.749 -1.923 2.202 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.862 -1.579 1.346 1.00 1.00 C ATOM 1628 C ALA A 105 -25.182 -2.723 0.436 1.00 1.00 C ATOM 1629 O ALA A 105 -24.306 -3.514 0.089 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.572 -0.342 0.533 1.00 1.00 C ATOM 0 H ALA A 105 -22.894 -1.400 2.012 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.721 -1.370 1.983 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.430 -0.113 -0.099 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.380 0.497 1.202 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.696 -0.515 -0.093 1.00 1.00 H new ATOM 1636 N THR A 106 -26.394 -2.809 0.036 1.00 1.00 N ATOM 1637 CA THR A 106 -26.809 -3.902 -0.761 1.00 1.00 C ATOM 1638 C THR A 106 -27.062 -3.450 -2.174 1.00 1.00 C ATOM 1639 O THR A 106 -27.834 -2.531 -2.415 1.00 1.00 O ATOM 1640 CB THR A 106 -28.063 -4.559 -0.169 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.818 -4.861 1.218 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.398 -5.844 -0.908 1.00 1.00 C ATOM 0 H THR A 106 -27.124 -2.129 0.249 1.00 1.00 H new ATOM 0 HA THR A 106 -26.011 -4.645 -0.773 1.00 1.00 H new ATOM 0 HB THR A 106 -28.903 -3.872 -0.268 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.614 -5.280 1.607 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.290 -6.293 -0.472 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.581 -5.622 -1.959 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.564 -6.540 -0.824 1.00 1.00 H new ATOM 1650 N VAL A 107 -26.393 -4.065 -3.098 1.00 1.00 N ATOM 1651 CA VAL A 107 -26.575 -3.749 -4.478 1.00 1.00 C ATOM 1652 C VAL A 107 -27.001 -5.003 -5.190 1.00 1.00 C ATOM 1653 O VAL A 107 -26.743 -6.105 -4.708 1.00 1.00 O ATOM 1654 CB VAL A 107 -25.285 -3.162 -5.116 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -24.884 -1.874 -4.410 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -24.139 -4.167 -5.082 1.00 1.00 C ATOM 0 H VAL A 107 -25.707 -4.798 -2.917 1.00 1.00 H new ATOM 0 HA VAL A 107 -27.341 -2.979 -4.572 1.00 1.00 H new ATOM 0 HB VAL A 107 -25.501 -2.939 -6.161 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -23.979 -1.475 -4.868 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -25.689 -1.144 -4.500 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -24.697 -2.080 -3.356 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -23.253 -3.724 -5.536 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.921 -4.436 -4.048 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.423 -5.061 -5.637 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.674 -4.861 -6.283 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.153 -6.005 -6.987 1.00 1.00 C ATOM 1668 C ALA A 108 -27.982 -5.864 -8.472 1.00 1.00 C ATOM 1669 O ALA A 108 -28.283 -4.853 -9.039 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.583 -6.253 -6.641 1.00 1.00 C ATOM 0 H ALA A 108 -27.905 -3.964 -6.709 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.555 -6.862 -6.677 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.942 -7.128 -7.183 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.673 -6.428 -5.569 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -30.180 -5.385 -6.919 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.553 -6.899 -9.079 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.251 -6.904 -10.490 1.00 1.00 C ATOM 1678 C LEU A 109 -28.436 -7.408 -11.275 1.00 1.00 C ATOM 1679 O LEU A 109 -29.046 -8.418 -10.911 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.014 -7.781 -10.791 1.00 1.00 C ATOM 1681 CG LEU A 109 -24.622 -7.163 -10.519 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.352 -6.998 -9.026 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -23.534 -8.003 -11.170 1.00 1.00 C ATOM 0 H LEU A 109 -27.392 -7.795 -8.618 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.029 -5.880 -10.790 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -26.098 -8.695 -10.203 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.054 -8.072 -11.841 1.00 1.00 H new ATOM 0 HG LEU A 109 -24.613 -6.167 -10.961 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.364 -6.561 -8.881 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -25.106 -6.343 -8.590 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -24.393 -7.972 -8.539 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -22.560 -7.556 -10.970 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.560 -9.013 -10.761 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -23.701 -8.043 -12.246 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.780 -6.700 -12.317 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.867 -7.080 -13.180 1.00 1.00 C ATOM 1697 C VAL A 110 -29.408 -7.069 -14.636 1.00 1.00 C ATOM 1698 O VAL A 110 -28.664 -6.165 -15.053 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.111 -6.151 -13.020 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.675 -6.242 -11.631 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.802 -4.701 -13.360 1.00 1.00 C ATOM 0 H VAL A 110 -28.311 -5.837 -12.593 1.00 1.00 H new ATOM 0 HA VAL A 110 -30.168 -8.086 -12.888 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.855 -6.505 -13.733 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.541 -5.585 -11.546 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.978 -7.269 -11.428 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.917 -5.938 -10.910 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.701 -4.098 -13.232 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.019 -4.331 -12.698 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.464 -4.634 -14.394 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.801 -8.076 -15.423 1.00 1.00 N ATOM 1712 CA PRO A 111 -29.470 -8.129 -16.838 1.00 1.00 C ATOM 1713 C PRO A 111 -30.237 -7.064 -17.622 1.00 1.00 C ATOM 1714 O PRO A 111 -31.331 -7.315 -18.115 1.00 1.00 O ATOM 1715 CB PRO A 111 -29.894 -9.542 -17.266 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.936 -9.940 -16.277 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.566 -9.263 -14.988 1.00 1.00 C ATOM 0 HA PRO A 111 -28.415 -7.933 -17.029 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -30.290 -9.546 -18.282 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -29.049 -10.231 -17.250 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.927 -9.631 -16.609 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -30.964 -11.023 -16.155 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.450 -8.982 -14.415 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -29.967 -9.914 -14.351 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.649 -5.869 -17.660 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.153 -4.685 -18.373 1.00 1.00 C ATOM 1727 C CYS A 112 -31.623 -4.387 -18.049 1.00 1.00 C ATOM 1728 O CYS A 112 -32.529 -4.823 -18.742 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.848 -4.737 -19.902 1.00 1.00 C ATOM 1730 SG CYS A 112 -30.438 -6.208 -20.789 1.00 1.00 S ATOM 0 H CYS A 112 -28.770 -5.687 -17.175 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.595 -3.829 -17.995 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.288 -3.856 -20.369 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -28.769 -4.665 -20.039 1.00 1.00 H new ATOM 0 HG CYS A 112 -31.030 -7.010 -19.954 1.00 1.00 H new