USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 52 THR OG1 : rot 85:sc= -1.11 USER MOD Set 1.2: A 58 TYR OH : rot 0:sc= -1.64 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= -0.625 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 CYS SG : rot -170:sc= -0.513 USER MOD Set 3.2: A 84 LYS NZ :NH3+ 179:sc= -0.134 (180deg=-0.134) USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -0.183 (180deg=-0.826) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 70:sc= 0.991 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.476 (180deg=-0.986) USER MOD Single : A 29 SER OG : rot 180:sc= 0.321 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -32:sc= -1.68! USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 38 ASN : amide:sc= -0.771 K(o=-0.77,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0236 (180deg=-0.257) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -150:sc= -1.04 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 42:sc= -0.575 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -2.38! C(o=-2.4!,f=-9.6!) USER MOD Single : A 86 TYR OH : rot 173:sc= -1.33! USER MOD Single : A 87 ASN : amide:sc= -4.06! C(o=-4.1!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 5.454 -11.385 -4.927 1.00 0.62 N ATOM 21 CA GLU A 2 4.023 -11.450 -4.648 1.00 0.43 C ATOM 22 C GLU A 2 3.440 -10.055 -4.452 1.00 0.39 C ATOM 23 O GLU A 2 2.706 -9.804 -3.497 1.00 0.56 O ATOM 24 CB GLU A 2 3.761 -12.306 -3.407 1.00 0.96 C ATOM 25 CG GLU A 2 2.422 -13.025 -3.436 1.00 1.73 C ATOM 26 CD GLU A 2 2.557 -14.520 -3.228 1.00 2.34 C ATOM 27 OE1 GLU A 2 3.616 -15.077 -3.587 1.00 2.59 O ATOM 28 OE2 GLU A 2 1.604 -15.135 -2.704 1.00 2.92 O ATOM 0 HA GLU A 2 3.533 -11.909 -5.507 1.00 0.43 H new ATOM 0 HB2 GLU A 2 4.558 -13.043 -3.309 1.00 0.96 H new ATOM 0 HB3 GLU A 2 3.804 -11.671 -2.522 1.00 0.96 H new ATOM 0 HG2 GLU A 2 1.775 -12.611 -2.662 1.00 1.73 H new ATOM 0 HG3 GLU A 2 1.934 -12.838 -4.393 1.00 1.73 H new ATOM 35 N VAL A 3 3.779 -9.151 -5.363 1.00 0.37 N ATOM 36 CA VAL A 3 3.292 -7.779 -5.303 1.00 0.36 C ATOM 37 C VAL A 3 2.464 -7.449 -6.542 1.00 0.34 C ATOM 38 O VAL A 3 2.986 -7.420 -7.656 1.00 0.49 O ATOM 39 CB VAL A 3 4.452 -6.769 -5.180 1.00 0.46 C ATOM 40 CG1 VAL A 3 3.967 -5.463 -4.578 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.587 -7.346 -4.345 1.00 0.66 C ATOM 0 H VAL A 3 4.392 -9.345 -6.155 1.00 0.37 H new ATOM 0 HA VAL A 3 2.667 -7.698 -4.414 1.00 0.36 H new ATOM 0 HB VAL A 3 4.830 -6.569 -6.183 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.801 -4.766 -4.501 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.194 -5.034 -5.215 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.557 -5.650 -3.585 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.393 -6.616 -4.273 1.00 0.66 H new ATOM 0 HG22 VAL A 3 5.220 -7.582 -3.346 1.00 0.66 H new ATOM 0 HG23 VAL A 3 5.961 -8.254 -4.818 1.00 0.66 H new ATOM 51 N LYS A 4 1.168 -7.218 -6.347 1.00 0.29 N ATOM 52 CA LYS A 4 0.272 -6.932 -7.462 1.00 0.31 C ATOM 53 C LYS A 4 -0.342 -5.539 -7.354 1.00 0.30 C ATOM 54 O LYS A 4 -0.527 -5.012 -6.257 1.00 0.30 O ATOM 55 CB LYS A 4 -0.838 -7.989 -7.526 1.00 0.32 C ATOM 56 CG LYS A 4 -1.932 -7.805 -6.480 1.00 0.31 C ATOM 57 CD LYS A 4 -1.979 -8.971 -5.506 1.00 0.40 C ATOM 58 CE LYS A 4 -3.275 -8.978 -4.710 1.00 0.44 C ATOM 59 NZ LYS A 4 -4.469 -9.056 -5.595 1.00 1.09 N ATOM 0 H LYS A 4 0.718 -7.223 -5.432 1.00 0.29 H new ATOM 0 HA LYS A 4 0.862 -6.964 -8.378 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -1.290 -7.966 -8.517 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.393 -8.976 -7.401 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -1.759 -6.879 -5.931 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -2.897 -7.706 -6.976 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.882 -9.908 -6.054 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -1.131 -8.911 -4.823 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -3.275 -9.825 -4.024 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -3.332 -8.075 -4.102 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -5.259 -9.489 -5.075 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -4.738 -8.099 -5.900 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -4.245 -9.635 -6.430 1.00 1.09 H new ATOM 73 N ILE A 5 -0.692 -4.966 -8.500 1.00 0.31 N ATOM 74 CA ILE A 5 -1.335 -3.659 -8.538 1.00 0.33 C ATOM 75 C ILE A 5 -2.721 -3.771 -9.151 1.00 0.33 C ATOM 76 O ILE A 5 -2.870 -4.186 -10.300 1.00 0.42 O ATOM 77 CB ILE A 5 -0.517 -2.635 -9.341 1.00 0.45 C ATOM 78 CG1 ILE A 5 0.980 -2.845 -9.119 1.00 0.50 C ATOM 79 CG2 ILE A 5 -0.920 -1.219 -8.958 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.384 -2.925 -7.662 1.00 0.80 C ATOM 0 H ILE A 5 -0.541 -5.387 -9.416 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.405 -3.310 -7.508 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.727 -2.782 -10.400 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.285 -3.763 -9.620 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.525 -2.028 -9.592 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.332 -0.505 -9.535 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -1.979 -1.072 -9.170 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -0.738 -1.064 -7.895 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.461 -3.075 -7.591 1.00 0.80 H new ATOM 0 HD12 ILE A 5 1.112 -1.998 -7.158 1.00 0.80 H new ATOM 0 HD13 ILE A 5 0.870 -3.760 -7.187 1.00 0.80 H new ATOM 92 N GLU A 6 -3.737 -3.432 -8.372 1.00 0.29 N ATOM 93 CA GLU A 6 -5.112 -3.528 -8.845 1.00 0.34 C ATOM 94 C GLU A 6 -6.017 -2.518 -8.152 1.00 0.31 C ATOM 95 O GLU A 6 -5.769 -2.120 -7.014 1.00 0.32 O ATOM 96 CB GLU A 6 -5.647 -4.944 -8.623 1.00 0.41 C ATOM 97 CG GLU A 6 -5.791 -5.743 -9.908 1.00 0.79 C ATOM 98 CD GLU A 6 -7.020 -6.630 -9.910 1.00 1.35 C ATOM 99 OE1 GLU A 6 -8.132 -6.101 -10.122 1.00 2.00 O ATOM 100 OE2 GLU A 6 -6.872 -7.852 -9.700 1.00 1.86 O ATOM 0 H GLU A 6 -3.638 -3.090 -7.416 1.00 0.29 H new ATOM 0 HA GLU A 6 -5.112 -3.301 -9.911 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -4.978 -5.475 -7.946 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.617 -4.885 -8.130 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -5.841 -5.057 -10.754 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -4.903 -6.359 -10.050 1.00 0.79 H new ATOM 107 N LYS A 7 -7.068 -2.106 -8.853 1.00 0.36 N ATOM 108 CA LYS A 7 -8.033 -1.160 -8.308 1.00 0.36 C ATOM 109 C LYS A 7 -9.353 -1.865 -7.998 1.00 0.37 C ATOM 110 O LYS A 7 -10.168 -2.086 -8.894 1.00 0.43 O ATOM 111 CB LYS A 7 -8.268 -0.017 -9.297 1.00 0.42 C ATOM 112 CG LYS A 7 -7.021 0.800 -9.589 1.00 0.51 C ATOM 113 CD LYS A 7 -6.719 0.842 -11.077 1.00 0.76 C ATOM 114 CE LYS A 7 -5.957 -0.395 -11.526 1.00 1.18 C ATOM 115 NZ LYS A 7 -5.704 -0.391 -12.993 1.00 1.91 N ATOM 0 H LYS A 7 -7.273 -2.414 -9.803 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.631 -0.749 -7.382 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -8.650 -0.429 -10.231 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -9.040 0.643 -8.901 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -7.154 1.815 -9.215 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -6.172 0.373 -9.056 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -7.651 0.919 -11.637 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -6.135 1.733 -11.306 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -5.007 -0.449 -10.994 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -6.523 -1.287 -11.258 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -5.182 -1.251 -13.258 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -6.611 -0.366 -13.502 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -5.142 0.446 -13.246 1.00 1.91 H new ATOM 129 N PRO A 8 -9.593 -2.220 -6.721 1.00 0.35 N ATOM 130 CA PRO A 8 -10.802 -2.943 -6.320 1.00 0.39 C ATOM 131 C PRO A 8 -12.078 -2.248 -6.784 1.00 0.51 C ATOM 132 O PRO A 8 -12.277 -1.058 -6.540 1.00 0.72 O ATOM 133 CB PRO A 8 -10.733 -2.974 -4.785 1.00 0.44 C ATOM 134 CG PRO A 8 -9.595 -2.083 -4.404 1.00 0.60 C ATOM 135 CD PRO A 8 -8.677 -2.033 -5.589 1.00 0.33 C ATOM 0 HA PRO A 8 -10.838 -3.935 -6.769 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.667 -2.623 -4.346 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.572 -3.989 -4.422 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -9.952 -1.086 -4.148 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -9.076 -2.470 -3.527 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -8.148 -1.082 -5.650 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.921 -2.817 -5.548 1.00 0.33 H new ATOM 143 N THR A 9 -12.934 -3.007 -7.461 1.00 0.48 N ATOM 144 CA THR A 9 -14.199 -2.479 -7.967 1.00 0.63 C ATOM 145 C THR A 9 -15.287 -2.554 -6.902 1.00 0.87 C ATOM 146 O THR A 9 -15.230 -3.393 -6.003 1.00 1.46 O ATOM 147 CB THR A 9 -14.646 -3.247 -9.219 1.00 0.64 C ATOM 148 OG1 THR A 9 -16.033 -3.072 -9.444 1.00 1.47 O ATOM 149 CG2 THR A 9 -14.383 -4.736 -9.146 1.00 1.31 C ATOM 0 H THR A 9 -12.775 -3.992 -7.673 1.00 0.48 H new ATOM 0 HA THR A 9 -14.039 -1.433 -8.230 1.00 0.63 H new ATOM 0 HB THR A 9 -14.052 -2.832 -10.033 1.00 0.64 H new ATOM 0 HG1 THR A 9 -16.299 -3.567 -10.247 1.00 1.47 H new ATOM 0 HG21 THR A 9 -14.725 -5.211 -10.065 1.00 1.31 H new ATOM 0 HG22 THR A 9 -13.314 -4.911 -9.023 1.00 1.31 H new ATOM 0 HG23 THR A 9 -14.920 -5.159 -8.297 1.00 1.31 H new ATOM 157 N PRO A 10 -16.304 -1.680 -6.993 1.00 0.75 N ATOM 158 CA PRO A 10 -17.421 -1.649 -6.051 1.00 1.04 C ATOM 159 C PRO A 10 -17.874 -3.049 -5.646 1.00 0.88 C ATOM 160 O PRO A 10 -18.356 -3.257 -4.532 1.00 1.00 O ATOM 161 CB PRO A 10 -18.534 -0.922 -6.827 1.00 1.48 C ATOM 162 CG PRO A 10 -17.957 -0.587 -8.172 1.00 1.30 C ATOM 163 CD PRO A 10 -16.465 -0.656 -8.027 1.00 0.69 C ATOM 0 HA PRO A 10 -17.151 -1.156 -5.117 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -19.415 -1.555 -6.928 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -18.849 -0.020 -6.303 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -18.306 -1.289 -8.929 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -18.270 0.407 -8.491 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -15.978 -0.939 -8.960 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -16.040 0.301 -7.723 1.00 0.69 H new ATOM 171 N GLU A 11 -17.709 -4.007 -6.552 1.00 0.71 N ATOM 172 CA GLU A 11 -18.089 -5.388 -6.281 1.00 0.78 C ATOM 173 C GLU A 11 -17.113 -6.033 -5.303 1.00 0.67 C ATOM 174 O GLU A 11 -17.520 -6.650 -4.320 1.00 0.75 O ATOM 175 CB GLU A 11 -18.130 -6.190 -7.582 1.00 0.84 C ATOM 176 CG GLU A 11 -19.120 -5.651 -8.600 1.00 1.27 C ATOM 177 CD GLU A 11 -19.227 -6.530 -9.831 1.00 2.11 C ATOM 178 OE1 GLU A 11 -19.457 -7.747 -9.674 1.00 2.71 O ATOM 179 OE2 GLU A 11 -19.081 -6.000 -10.953 1.00 2.59 O ATOM 0 H GLU A 11 -17.315 -3.852 -7.480 1.00 0.71 H new ATOM 0 HA GLU A 11 -19.082 -5.388 -5.832 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -17.134 -6.198 -8.025 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -18.385 -7.225 -7.353 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -20.102 -5.562 -8.135 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -18.817 -4.648 -8.900 1.00 1.27 H new ATOM 186 N LYS A 12 -15.822 -5.878 -5.578 1.00 0.56 N ATOM 187 CA LYS A 12 -14.787 -6.431 -4.714 1.00 0.53 C ATOM 188 C LYS A 12 -14.667 -5.609 -3.435 1.00 0.48 C ATOM 189 O LYS A 12 -14.305 -6.128 -2.380 1.00 0.50 O ATOM 190 CB LYS A 12 -13.443 -6.465 -5.446 1.00 0.53 C ATOM 191 CG LYS A 12 -13.059 -7.848 -5.949 1.00 0.86 C ATOM 192 CD LYS A 12 -12.923 -7.874 -7.463 1.00 0.66 C ATOM 193 CE LYS A 12 -11.499 -7.569 -7.901 1.00 0.83 C ATOM 194 NZ LYS A 12 -10.891 -8.702 -8.652 1.00 1.47 N ATOM 0 H LYS A 12 -15.469 -5.374 -6.392 1.00 0.56 H new ATOM 0 HA LYS A 12 -15.067 -7.451 -4.450 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.482 -5.778 -6.291 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -12.664 -6.102 -4.775 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -12.117 -8.153 -5.493 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -13.813 -8.571 -5.638 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -13.218 -8.854 -7.839 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -13.604 -7.145 -7.903 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -11.496 -6.676 -8.526 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -10.890 -7.347 -7.025 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -9.921 -8.452 -8.932 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -10.870 -9.548 -8.047 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -11.457 -8.898 -9.502 1.00 1.47 H new ATOM 208 N LEU A 13 -14.980 -4.322 -3.542 1.00 0.48 N ATOM 209 CA LEU A 13 -14.920 -3.422 -2.399 1.00 0.48 C ATOM 210 C LEU A 13 -15.903 -3.850 -1.315 1.00 0.51 C ATOM 211 O LEU A 13 -15.674 -3.614 -0.130 1.00 0.50 O ATOM 212 CB LEU A 13 -15.223 -1.988 -2.837 1.00 0.60 C ATOM 213 CG LEU A 13 -14.159 -1.346 -3.728 1.00 0.61 C ATOM 214 CD1 LEU A 13 -14.738 -0.155 -4.477 1.00 0.93 C ATOM 215 CD2 LEU A 13 -12.954 -0.925 -2.901 1.00 0.71 C ATOM 0 H LEU A 13 -15.278 -3.879 -4.411 1.00 0.48 H new ATOM 0 HA LEU A 13 -13.911 -3.466 -1.988 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -16.174 -1.980 -3.369 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -15.350 -1.372 -1.947 1.00 0.60 H new ATOM 0 HG LEU A 13 -13.831 -2.084 -4.460 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -13.967 0.289 -5.106 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -15.568 -0.486 -5.101 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -15.094 0.586 -3.762 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -12.207 -0.470 -3.552 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -13.265 -0.203 -2.146 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.525 -1.800 -2.412 1.00 0.71 H new ATOM 227 N LYS A 14 -17.008 -4.463 -1.728 1.00 0.61 N ATOM 228 CA LYS A 14 -18.026 -4.916 -0.785 1.00 0.72 C ATOM 229 C LYS A 14 -17.419 -5.851 0.254 1.00 0.73 C ATOM 230 O LYS A 14 -17.614 -5.672 1.457 1.00 0.79 O ATOM 231 CB LYS A 14 -19.161 -5.624 -1.526 1.00 0.82 C ATOM 232 CG LYS A 14 -20.300 -4.695 -1.918 1.00 0.86 C ATOM 233 CD LYS A 14 -21.593 -5.462 -2.143 1.00 1.29 C ATOM 234 CE LYS A 14 -21.761 -5.858 -3.600 1.00 1.57 C ATOM 235 NZ LYS A 14 -22.774 -6.937 -3.773 1.00 2.01 N ATOM 0 H LYS A 14 -17.221 -4.657 -2.706 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.429 -4.042 -0.273 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -18.761 -6.094 -2.424 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.554 -6.422 -0.896 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -20.449 -3.950 -1.136 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -20.034 -4.154 -2.826 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -21.600 -6.356 -1.519 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -22.439 -4.849 -1.832 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -22.059 -4.985 -4.181 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -20.803 -6.193 -3.997 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -22.857 -7.177 -4.782 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -22.478 -7.780 -3.240 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -23.695 -6.609 -3.418 1.00 2.01 H new ATOM 249 N GLU A 15 -16.668 -6.841 -0.217 1.00 0.72 N ATOM 250 CA GLU A 15 -16.005 -7.787 0.673 1.00 0.79 C ATOM 251 C GLU A 15 -14.734 -7.171 1.252 1.00 0.73 C ATOM 252 O GLU A 15 -14.298 -7.527 2.346 1.00 0.77 O ATOM 253 CB GLU A 15 -15.667 -9.077 -0.078 1.00 0.85 C ATOM 254 CG GLU A 15 -16.824 -9.623 -0.899 1.00 1.40 C ATOM 255 CD GLU A 15 -17.696 -10.580 -0.111 1.00 1.73 C ATOM 256 OE1 GLU A 15 -17.964 -10.298 1.077 1.00 1.86 O ATOM 257 OE2 GLU A 15 -18.114 -11.610 -0.680 1.00 2.35 O ATOM 0 H GLU A 15 -16.503 -7.009 -1.210 1.00 0.72 H new ATOM 0 HA GLU A 15 -16.684 -8.025 1.492 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -14.819 -8.892 -0.738 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -15.353 -9.834 0.640 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -17.433 -8.794 -1.258 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -16.432 -10.134 -1.778 1.00 1.40 H new ATOM 264 N LEU A 16 -14.153 -6.239 0.504 1.00 0.68 N ATOM 265 CA LEU A 16 -12.941 -5.550 0.927 1.00 0.64 C ATOM 266 C LEU A 16 -13.269 -4.252 1.663 1.00 0.55 C ATOM 267 O LEU A 16 -12.406 -3.387 1.808 1.00 0.51 O ATOM 268 CB LEU A 16 -12.061 -5.249 -0.291 1.00 0.68 C ATOM 269 CG LEU A 16 -11.008 -6.313 -0.621 1.00 0.99 C ATOM 270 CD1 LEU A 16 -11.557 -7.715 -0.398 1.00 1.54 C ATOM 271 CD2 LEU A 16 -10.528 -6.153 -2.056 1.00 1.21 C ATOM 0 H LEU A 16 -14.506 -5.942 -0.406 1.00 0.68 H new ATOM 0 HA LEU A 16 -12.403 -6.203 1.614 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -12.706 -5.118 -1.160 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.553 -4.299 -0.125 1.00 0.68 H new ATOM 0 HG LEU A 16 -10.162 -6.172 0.051 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -10.789 -8.449 -0.640 1.00 1.54 H new ATOM 0 HD12 LEU A 16 -11.852 -7.829 0.645 1.00 1.54 H new ATOM 0 HD13 LEU A 16 -12.424 -7.872 -1.039 1.00 1.54 H new ATOM 0 HD21 LEU A 16 -9.781 -6.915 -2.277 1.00 1.21 H new ATOM 0 HD22 LEU A 16 -11.372 -6.265 -2.737 1.00 1.21 H new ATOM 0 HD23 LEU A 16 -10.087 -5.164 -2.184 1.00 1.21 H new ATOM 283 N SER A 17 -14.540 -4.102 2.066 1.00 0.55 N ATOM 284 CA SER A 17 -15.033 -2.899 2.749 1.00 0.51 C ATOM 285 C SER A 17 -13.957 -2.199 3.573 1.00 0.44 C ATOM 286 O SER A 17 -13.801 -2.460 4.766 1.00 0.47 O ATOM 287 CB SER A 17 -16.211 -3.262 3.655 1.00 0.57 C ATOM 288 OG SER A 17 -17.310 -3.739 2.898 1.00 0.72 O ATOM 0 H SER A 17 -15.256 -4.815 1.926 1.00 0.55 H new ATOM 0 HA SER A 17 -15.349 -2.203 1.972 1.00 0.51 H new ATOM 0 HB2 SER A 17 -15.902 -4.023 4.371 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.514 -2.387 4.230 1.00 0.57 H new ATOM 0 HG SER A 17 -17.092 -4.618 2.523 1.00 0.72 H new ATOM 294 N VAL A 18 -13.233 -1.292 2.928 1.00 0.41 N ATOM 295 CA VAL A 18 -12.189 -0.527 3.596 1.00 0.39 C ATOM 296 C VAL A 18 -12.792 0.521 4.530 1.00 0.41 C ATOM 297 O VAL A 18 -12.117 1.032 5.424 1.00 0.63 O ATOM 298 CB VAL A 18 -11.265 0.165 2.575 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.624 -0.864 1.655 1.00 0.52 C ATOM 300 CG2 VAL A 18 -12.032 1.206 1.770 1.00 1.10 C ATOM 0 H VAL A 18 -13.351 -1.068 1.940 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.599 -1.230 4.184 1.00 0.39 H new ATOM 0 HB VAL A 18 -10.473 0.678 3.121 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.975 -0.359 0.940 1.00 0.52 H new ATOM 0 HG12 VAL A 18 -10.036 -1.565 2.247 1.00 0.52 H new ATOM 0 HG13 VAL A 18 -11.402 -1.407 1.118 1.00 0.52 H new ATOM 0 HG21 VAL A 18 -11.360 1.681 1.056 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -12.848 0.722 1.233 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -12.438 1.960 2.444 1.00 1.10 H new ATOM 310 N GLU A 19 -14.071 0.828 4.323 1.00 0.44 N ATOM 311 CA GLU A 19 -14.775 1.801 5.146 1.00 0.47 C ATOM 312 C GLU A 19 -14.647 1.466 6.627 1.00 0.44 C ATOM 313 O GLU A 19 -14.789 2.338 7.485 1.00 0.53 O ATOM 314 CB GLU A 19 -16.251 1.836 4.753 1.00 0.51 C ATOM 315 CG GLU A 19 -16.844 0.453 4.527 1.00 0.50 C ATOM 316 CD GLU A 19 -18.023 0.170 5.437 1.00 0.81 C ATOM 317 OE1 GLU A 19 -17.821 0.105 6.668 1.00 1.39 O ATOM 318 OE2 GLU A 19 -19.148 0.012 4.919 1.00 1.36 O ATOM 0 H GLU A 19 -14.641 0.412 3.587 1.00 0.44 H new ATOM 0 HA GLU A 19 -14.324 2.779 4.977 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.816 2.343 5.535 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -16.364 2.426 3.843 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -17.161 0.363 3.488 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -16.073 -0.300 4.691 1.00 0.50 H new ATOM 325 N LYS A 20 -14.403 0.194 6.924 1.00 0.38 N ATOM 326 CA LYS A 20 -14.268 -0.252 8.309 1.00 0.38 C ATOM 327 C LYS A 20 -12.801 -0.350 8.716 1.00 0.34 C ATOM 328 O LYS A 20 -12.475 -0.307 9.902 1.00 0.39 O ATOM 329 CB LYS A 20 -14.967 -1.602 8.522 1.00 0.42 C ATOM 330 CG LYS A 20 -15.008 -2.489 7.287 1.00 0.51 C ATOM 331 CD LYS A 20 -15.763 -3.781 7.555 1.00 0.54 C ATOM 332 CE LYS A 20 -14.814 -4.957 7.729 1.00 1.69 C ATOM 333 NZ LYS A 20 -15.534 -6.200 8.121 1.00 2.00 N ATOM 0 H LYS A 20 -14.295 -0.545 6.229 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.751 0.493 8.942 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -14.459 -2.138 9.323 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -15.988 -1.420 8.858 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -15.484 -1.951 6.467 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -13.991 -2.720 6.969 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -16.372 -3.668 8.452 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -16.446 -3.982 6.729 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -14.275 -5.129 6.798 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -14.070 -4.714 8.488 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -14.851 -6.977 8.229 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -16.028 -6.045 9.023 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -16.226 -6.447 7.385 1.00 2.00 H new ATOM 347 N TRP A 21 -11.916 -0.469 7.730 1.00 0.31 N ATOM 348 CA TRP A 21 -10.486 -0.563 8.003 1.00 0.32 C ATOM 349 C TRP A 21 -9.943 0.789 8.458 1.00 0.31 C ATOM 350 O TRP A 21 -10.375 1.833 7.970 1.00 0.39 O ATOM 351 CB TRP A 21 -9.720 -1.026 6.758 1.00 0.35 C ATOM 352 CG TRP A 21 -10.348 -2.181 6.031 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.485 -2.859 6.370 1.00 0.34 C ATOM 354 CD2 TRP A 21 -9.867 -2.784 4.823 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.739 -3.846 5.447 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.761 -3.819 4.487 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.770 -2.546 3.989 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.588 -4.616 3.358 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.599 -3.338 2.869 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.504 -4.363 2.563 1.00 0.46 C ATOM 0 H TRP A 21 -12.162 -0.502 6.741 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.345 -1.297 8.797 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.630 -0.186 6.069 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.709 -1.306 7.053 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -12.095 -2.650 7.236 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.527 -4.493 5.473 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -8.068 -1.757 4.216 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -11.285 -5.406 3.119 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.754 -3.164 2.219 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.342 -4.966 1.681 1.00 0.46 H new ATOM 371 N PRO A 22 -8.985 0.793 9.399 1.00 0.34 N ATOM 372 CA PRO A 22 -8.380 2.028 9.901 1.00 0.39 C ATOM 373 C PRO A 22 -7.919 2.936 8.768 1.00 0.34 C ATOM 374 O PRO A 22 -8.062 2.597 7.593 1.00 0.48 O ATOM 375 CB PRO A 22 -7.178 1.550 10.729 1.00 0.51 C ATOM 376 CG PRO A 22 -7.039 0.089 10.442 1.00 0.42 C ATOM 377 CD PRO A 22 -8.401 -0.394 10.033 1.00 0.45 C ATOM 0 HA PRO A 22 -9.090 2.619 10.480 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -6.273 2.091 10.452 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -7.341 1.726 11.792 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -6.311 -0.084 9.649 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -6.685 -0.448 11.322 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -8.342 -1.235 9.342 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.988 -0.726 10.890 1.00 0.45 H new ATOM 385 N ILE A 23 -7.369 4.092 9.124 1.00 0.38 N ATOM 386 CA ILE A 23 -6.892 5.044 8.129 1.00 0.36 C ATOM 387 C ILE A 23 -5.510 5.574 8.493 1.00 0.31 C ATOM 388 O ILE A 23 -5.174 5.709 9.670 1.00 0.32 O ATOM 389 CB ILE A 23 -7.860 6.232 7.975 1.00 0.47 C ATOM 390 CG1 ILE A 23 -9.280 5.729 7.711 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.400 7.151 6.854 1.00 0.97 C ATOM 392 CD1 ILE A 23 -10.029 5.341 8.966 1.00 1.60 C ATOM 0 H ILE A 23 -7.243 4.391 10.091 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.835 4.507 7.182 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.863 6.801 8.905 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.840 6.505 7.189 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -9.233 4.867 7.045 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.095 7.985 6.759 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -6.405 7.532 7.082 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -7.370 6.595 5.917 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -11.028 4.994 8.701 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.492 4.543 9.478 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -10.108 6.206 9.625 1.00 1.60 H new ATOM 404 N TRP A 24 -4.710 5.871 7.474 1.00 0.31 N ATOM 405 CA TRP A 24 -3.362 6.381 7.686 1.00 0.31 C ATOM 406 C TRP A 24 -3.091 7.599 6.811 1.00 0.31 C ATOM 407 O TRP A 24 -3.623 7.713 5.707 1.00 0.44 O ATOM 408 CB TRP A 24 -2.331 5.291 7.390 1.00 0.38 C ATOM 409 CG TRP A 24 -0.979 5.583 7.965 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.694 5.925 9.255 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.273 5.563 7.269 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.657 6.118 9.405 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.273 5.901 8.201 1.00 0.51 C ATOM 414 CE3 TRP A 24 0.645 5.291 5.950 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.619 5.974 7.854 1.00 0.61 C ATOM 416 CZ3 TRP A 24 1.982 5.365 5.607 1.00 0.66 C ATOM 417 CH2 TRP A 24 2.955 5.703 6.555 1.00 0.66 C ATOM 0 H TRP A 24 -4.973 5.767 6.494 1.00 0.31 H new ATOM 0 HA TRP A 24 -3.278 6.682 8.730 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.691 4.342 7.789 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -2.241 5.169 6.311 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.425 6.029 10.043 1.00 0.47 H new ATOM 0 HE1 TRP A 24 1.126 6.380 10.272 1.00 0.55 H new ATOM 0 HE3 TRP A 24 -0.098 5.028 5.212 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.371 6.235 8.584 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.281 5.158 4.590 1.00 0.66 H new ATOM 0 HH2 TRP A 24 3.992 5.751 6.255 1.00 0.66 H new ATOM 428 N GLU A 25 -2.257 8.504 7.309 1.00 0.34 N ATOM 429 CA GLU A 25 -1.896 9.708 6.570 1.00 0.36 C ATOM 430 C GLU A 25 -0.380 9.860 6.516 1.00 0.37 C ATOM 431 O GLU A 25 0.302 9.705 7.528 1.00 0.42 O ATOM 432 CB GLU A 25 -2.523 10.943 7.222 1.00 0.39 C ATOM 433 CG GLU A 25 -3.893 10.683 7.829 1.00 0.98 C ATOM 434 CD GLU A 25 -4.627 11.962 8.181 1.00 1.52 C ATOM 435 OE1 GLU A 25 -4.177 13.043 7.747 1.00 1.91 O ATOM 436 OE2 GLU A 25 -5.653 11.882 8.889 1.00 2.05 O ATOM 0 H GLU A 25 -1.816 8.426 8.226 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.278 9.617 5.553 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -1.854 11.311 8.000 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -2.610 11.733 6.476 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -4.494 10.105 7.127 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -3.779 10.075 8.726 1.00 0.98 H new ATOM 443 N LYS A 26 0.148 10.148 5.330 1.00 0.39 N ATOM 444 CA LYS A 26 1.590 10.286 5.162 1.00 0.44 C ATOM 445 C LYS A 26 1.945 11.421 4.206 1.00 0.40 C ATOM 446 O LYS A 26 1.516 11.438 3.052 1.00 0.44 O ATOM 447 CB LYS A 26 2.189 8.974 4.652 1.00 0.51 C ATOM 448 CG LYS A 26 3.698 9.025 4.475 1.00 0.58 C ATOM 449 CD LYS A 26 4.417 9.009 5.815 1.00 1.19 C ATOM 450 CE LYS A 26 5.660 9.885 5.792 1.00 1.62 C ATOM 451 NZ LYS A 26 5.667 10.871 6.908 1.00 2.39 N ATOM 0 H LYS A 26 -0.396 10.289 4.479 1.00 0.39 H new ATOM 0 HA LYS A 26 2.011 10.527 6.138 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.940 8.175 5.350 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.728 8.720 3.698 1.00 0.51 H new ATOM 0 HG2 LYS A 26 4.024 8.175 3.876 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.971 9.926 3.925 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.741 9.356 6.596 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.696 7.986 6.067 1.00 1.19 H new ATOM 0 HE2 LYS A 26 6.548 9.256 5.858 1.00 1.62 H new ATOM 0 HE3 LYS A 26 5.714 10.414 4.840 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 6.369 11.613 6.711 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 4.724 11.301 6.997 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 5.913 10.389 7.796 1.00 2.39 H new ATOM 465 N GLU A 27 2.759 12.351 4.694 1.00 0.49 N ATOM 466 CA GLU A 27 3.230 13.471 3.887 1.00 0.49 C ATOM 467 C GLU A 27 4.166 12.982 2.800 1.00 0.44 C ATOM 468 O GLU A 27 4.707 11.879 2.882 1.00 0.77 O ATOM 469 CB GLU A 27 3.937 14.508 4.765 1.00 0.72 C ATOM 470 CG GLU A 27 4.878 13.899 5.791 1.00 1.25 C ATOM 471 CD GLU A 27 4.323 13.964 7.201 1.00 1.93 C ATOM 472 OE1 GLU A 27 3.131 13.642 7.386 1.00 2.64 O ATOM 473 OE2 GLU A 27 5.081 14.339 8.120 1.00 2.20 O ATOM 0 H GLU A 27 3.109 12.351 5.652 1.00 0.49 H new ATOM 0 HA GLU A 27 2.366 13.943 3.419 1.00 0.49 H new ATOM 0 HB2 GLU A 27 4.501 15.188 4.126 1.00 0.72 H new ATOM 0 HB3 GLU A 27 3.186 15.105 5.283 1.00 0.72 H new ATOM 0 HG2 GLU A 27 5.072 12.859 5.528 1.00 1.25 H new ATOM 0 HG3 GLU A 27 5.834 14.421 5.756 1.00 1.25 H new ATOM 480 N VAL A 28 4.323 13.791 1.762 1.00 0.34 N ATOM 481 CA VAL A 28 5.142 13.435 0.604 1.00 0.26 C ATOM 482 C VAL A 28 6.641 13.246 0.926 1.00 0.28 C ATOM 483 O VAL A 28 7.496 13.765 0.208 1.00 0.43 O ATOM 484 CB VAL A 28 4.995 14.518 -0.486 1.00 0.29 C ATOM 485 CG1 VAL A 28 3.533 14.865 -0.691 1.00 0.37 C ATOM 486 CG2 VAL A 28 5.790 15.773 -0.143 1.00 1.00 C ATOM 0 H VAL A 28 3.889 14.712 1.695 1.00 0.34 H new ATOM 0 HA VAL A 28 4.772 12.469 0.259 1.00 0.26 H new ATOM 0 HB VAL A 28 5.399 14.110 -1.412 1.00 0.29 H new ATOM 0 HG11 VAL A 28 3.445 15.630 -1.463 1.00 0.37 H new ATOM 0 HG12 VAL A 28 2.987 13.974 -1.000 1.00 0.37 H new ATOM 0 HG13 VAL A 28 3.114 15.241 0.242 1.00 0.37 H new ATOM 0 HG21 VAL A 28 5.662 16.512 -0.934 1.00 1.00 H new ATOM 0 HG22 VAL A 28 5.431 16.185 0.800 1.00 1.00 H new ATOM 0 HG23 VAL A 28 6.846 15.521 -0.050 1.00 1.00 H new ATOM 496 N SER A 29 6.967 12.530 2.001 1.00 0.29 N ATOM 497 CA SER A 29 8.358 12.271 2.351 1.00 0.40 C ATOM 498 C SER A 29 8.828 10.948 1.754 1.00 0.35 C ATOM 499 O SER A 29 8.198 10.404 0.848 1.00 0.35 O ATOM 500 CB SER A 29 8.526 12.247 3.872 1.00 0.56 C ATOM 501 OG SER A 29 9.893 12.166 4.234 1.00 1.09 O ATOM 0 H SER A 29 6.287 12.121 2.642 1.00 0.29 H new ATOM 0 HA SER A 29 8.969 13.074 1.938 1.00 0.40 H new ATOM 0 HB2 SER A 29 8.085 13.146 4.304 1.00 0.56 H new ATOM 0 HB3 SER A 29 7.986 11.396 4.287 1.00 0.56 H new ATOM 0 HG SER A 29 9.973 12.154 5.211 1.00 1.09 H new ATOM 507 N GLU A 30 9.921 10.420 2.296 1.00 0.42 N ATOM 508 CA GLU A 30 10.446 9.132 1.861 1.00 0.41 C ATOM 509 C GLU A 30 11.034 8.379 3.049 1.00 0.50 C ATOM 510 O GLU A 30 11.881 8.906 3.772 1.00 0.70 O ATOM 511 CB GLU A 30 11.512 9.328 0.781 1.00 0.61 C ATOM 512 CG GLU A 30 10.985 10.001 -0.477 1.00 0.76 C ATOM 513 CD GLU A 30 11.114 11.510 -0.429 1.00 1.14 C ATOM 514 OE1 GLU A 30 12.214 12.001 -0.099 1.00 1.70 O ATOM 515 OE2 GLU A 30 10.115 12.202 -0.719 1.00 1.60 O ATOM 0 H GLU A 30 10.460 10.866 3.038 1.00 0.42 H new ATOM 0 HA GLU A 30 9.629 8.546 1.440 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.326 9.926 1.190 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.932 8.358 0.516 1.00 0.61 H new ATOM 0 HG2 GLU A 30 11.528 9.621 -1.342 1.00 0.76 H new ATOM 0 HG3 GLU A 30 9.937 9.734 -0.616 1.00 0.76 H new ATOM 522 N PHE A 31 10.570 7.152 3.259 1.00 0.46 N ATOM 523 CA PHE A 31 11.036 6.349 4.383 1.00 0.63 C ATOM 524 C PHE A 31 11.564 4.996 3.935 1.00 0.58 C ATOM 525 O PHE A 31 11.085 4.415 2.960 1.00 0.48 O ATOM 526 CB PHE A 31 9.908 6.155 5.398 1.00 0.83 C ATOM 527 CG PHE A 31 8.559 5.950 4.768 1.00 0.84 C ATOM 528 CD1 PHE A 31 7.927 6.986 4.100 1.00 0.79 C ATOM 529 CD2 PHE A 31 7.926 4.719 4.841 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.687 6.801 3.519 1.00 1.49 C ATOM 531 CE2 PHE A 31 6.686 4.527 4.261 1.00 2.52 C ATOM 532 CZ PHE A 31 6.063 5.571 3.605 1.00 2.40 C ATOM 0 H PHE A 31 9.875 6.694 2.669 1.00 0.46 H new ATOM 0 HA PHE A 31 11.859 6.890 4.850 1.00 0.63 H new ATOM 0 HB2 PHE A 31 10.140 5.295 6.027 1.00 0.83 H new ATOM 0 HB3 PHE A 31 9.866 7.026 6.052 1.00 0.83 H new ATOM 0 HD1 PHE A 31 8.409 7.950 4.032 1.00 0.79 H new ATOM 0 HD2 PHE A 31 8.407 3.901 5.357 1.00 1.70 H new ATOM 0 HE1 PHE A 31 6.206 7.616 2.999 1.00 1.49 H new ATOM 0 HE2 PHE A 31 6.205 3.562 4.321 1.00 2.52 H new ATOM 0 HZ PHE A 31 5.090 5.426 3.160 1.00 2.40 H new ATOM 542 N ASP A 32 12.541 4.491 4.676 1.00 0.73 N ATOM 543 CA ASP A 32 13.110 3.178 4.412 1.00 0.74 C ATOM 544 C ASP A 32 12.592 2.186 5.444 1.00 0.90 C ATOM 545 O ASP A 32 13.081 2.140 6.573 1.00 1.42 O ATOM 546 CB ASP A 32 14.640 3.231 4.454 1.00 1.06 C ATOM 547 CG ASP A 32 15.201 4.555 3.967 1.00 2.02 C ATOM 548 OD1 ASP A 32 15.295 5.495 4.783 1.00 2.36 O ATOM 549 OD2 ASP A 32 15.546 4.648 2.771 1.00 2.89 O ATOM 0 H ASP A 32 12.958 4.976 5.471 1.00 0.73 H new ATOM 0 HA ASP A 32 12.809 2.857 3.415 1.00 0.74 H new ATOM 0 HB2 ASP A 32 14.976 3.054 5.476 1.00 1.06 H new ATOM 0 HB3 ASP A 32 15.043 2.425 3.841 1.00 1.06 H new ATOM 554 N TRP A 33 11.574 1.421 5.069 1.00 0.63 N ATOM 555 CA TRP A 33 10.944 0.492 5.997 1.00 0.93 C ATOM 556 C TRP A 33 11.147 -0.962 5.574 1.00 0.61 C ATOM 557 O TRP A 33 11.378 -1.262 4.403 1.00 0.45 O ATOM 558 CB TRP A 33 9.447 0.814 6.112 1.00 1.36 C ATOM 559 CG TRP A 33 8.642 -0.243 6.806 1.00 1.58 C ATOM 560 CD1 TRP A 33 8.603 -0.502 8.146 1.00 2.21 C ATOM 561 CD2 TRP A 33 7.762 -1.185 6.188 1.00 1.38 C ATOM 562 NE1 TRP A 33 7.750 -1.550 8.398 1.00 2.32 N ATOM 563 CE2 TRP A 33 7.220 -1.985 7.211 1.00 1.76 C ATOM 564 CE3 TRP A 33 7.377 -1.428 4.867 1.00 1.34 C ATOM 565 CZ2 TRP A 33 6.316 -3.013 6.952 1.00 1.72 C ATOM 566 CZ3 TRP A 33 6.480 -2.446 4.611 1.00 1.52 C ATOM 567 CH2 TRP A 33 5.957 -3.225 5.648 1.00 1.51 C ATOM 0 H TRP A 33 11.169 1.426 4.133 1.00 0.63 H new ATOM 0 HA TRP A 33 11.419 0.613 6.971 1.00 0.93 H new ATOM 0 HB2 TRP A 33 9.330 1.755 6.649 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.042 0.965 5.112 1.00 1.36 H new ATOM 0 HD1 TRP A 33 9.160 0.037 8.898 1.00 2.21 H new ATOM 0 HE1 TRP A 33 7.545 -1.940 9.318 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.774 -0.830 4.060 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 5.914 -3.620 7.750 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 6.177 -2.644 3.593 1.00 1.52 H new ATOM 0 HH2 TRP A 33 5.254 -4.011 5.415 1.00 1.51 H new ATOM 578 N TYR A 34 11.048 -1.856 6.554 1.00 0.69 N ATOM 579 CA TYR A 34 11.203 -3.286 6.327 1.00 0.52 C ATOM 580 C TYR A 34 9.912 -4.016 6.701 1.00 0.54 C ATOM 581 O TYR A 34 9.250 -3.661 7.677 1.00 0.68 O ATOM 582 CB TYR A 34 12.396 -3.812 7.145 1.00 0.70 C ATOM 583 CG TYR A 34 12.363 -5.297 7.448 1.00 0.67 C ATOM 584 CD1 TYR A 34 11.689 -5.785 8.558 1.00 0.78 C ATOM 585 CD2 TYR A 34 13.001 -6.206 6.614 1.00 0.86 C ATOM 586 CE1 TYR A 34 11.654 -7.139 8.833 1.00 0.87 C ATOM 587 CE2 TYR A 34 12.971 -7.561 6.881 1.00 0.98 C ATOM 588 CZ TYR A 34 12.308 -8.018 8.014 1.00 0.88 C ATOM 589 OH TYR A 34 12.267 -9.371 8.261 1.00 1.07 O ATOM 0 H TYR A 34 10.858 -1.608 7.525 1.00 0.69 H new ATOM 0 HA TYR A 34 11.402 -3.471 5.271 1.00 0.52 H new ATOM 0 HB2 TYR A 34 13.315 -3.588 6.603 1.00 0.70 H new ATOM 0 HB3 TYR A 34 12.440 -3.266 8.087 1.00 0.70 H new ATOM 0 HD1 TYR A 34 11.183 -5.096 9.218 1.00 0.78 H new ATOM 0 HD2 TYR A 34 13.529 -5.848 5.743 1.00 0.86 H new ATOM 0 HE1 TYR A 34 11.111 -7.502 9.693 1.00 0.87 H new ATOM 0 HE2 TYR A 34 13.458 -8.259 6.216 1.00 0.98 H new ATOM 0 HH TYR A 34 12.786 -9.844 7.578 1.00 1.07 H new ATOM 599 N TYR A 35 9.554 -5.029 5.918 1.00 0.46 N ATOM 600 CA TYR A 35 8.331 -5.785 6.166 1.00 0.52 C ATOM 601 C TYR A 35 8.531 -6.812 7.277 1.00 0.55 C ATOM 602 O TYR A 35 9.526 -7.534 7.299 1.00 0.73 O ATOM 603 CB TYR A 35 7.868 -6.480 4.886 1.00 0.51 C ATOM 604 CG TYR A 35 6.481 -6.079 4.462 1.00 0.79 C ATOM 605 CD1 TYR A 35 5.360 -6.646 5.051 1.00 1.06 C ATOM 606 CD2 TYR A 35 6.295 -5.139 3.460 1.00 1.33 C ATOM 607 CE1 TYR A 35 4.089 -6.285 4.650 1.00 1.31 C ATOM 608 CE2 TYR A 35 5.030 -4.770 3.059 1.00 1.67 C ATOM 609 CZ TYR A 35 3.919 -5.326 3.714 1.00 1.50 C ATOM 610 OH TYR A 35 2.666 -4.980 3.255 1.00 1.87 O ATOM 0 H TYR A 35 10.091 -5.344 5.110 1.00 0.46 H new ATOM 0 HA TYR A 35 7.563 -5.082 6.488 1.00 0.52 H new ATOM 0 HB2 TYR A 35 8.567 -6.250 4.082 1.00 0.51 H new ATOM 0 HB3 TYR A 35 7.898 -7.559 5.035 1.00 0.51 H new ATOM 0 HD1 TYR A 35 5.483 -7.380 5.834 1.00 1.06 H new ATOM 0 HD2 TYR A 35 7.155 -4.689 2.987 1.00 1.33 H new ATOM 0 HE1 TYR A 35 3.228 -6.771 5.086 1.00 1.31 H new ATOM 0 HE2 TYR A 35 4.895 -4.064 2.253 1.00 1.67 H new ATOM 0 HH TYR A 35 2.083 -5.768 3.270 1.00 1.87 H new ATOM 620 N ASP A 36 7.568 -6.873 8.195 1.00 0.56 N ATOM 621 CA ASP A 36 7.636 -7.805 9.316 1.00 0.68 C ATOM 622 C ASP A 36 6.474 -8.794 9.283 1.00 0.67 C ATOM 623 O ASP A 36 6.616 -9.944 9.694 1.00 0.88 O ATOM 624 CB ASP A 36 7.627 -7.040 10.640 1.00 0.85 C ATOM 625 CG ASP A 36 8.747 -7.475 11.566 1.00 1.30 C ATOM 626 OD1 ASP A 36 9.039 -8.689 11.613 1.00 1.59 O ATOM 627 OD2 ASP A 36 9.330 -6.604 12.244 1.00 2.12 O ATOM 0 H ASP A 36 6.733 -6.288 8.184 1.00 0.56 H new ATOM 0 HA ASP A 36 8.566 -8.366 9.229 1.00 0.68 H new ATOM 0 HB2 ASP A 36 7.718 -5.972 10.440 1.00 0.85 H new ATOM 0 HB3 ASP A 36 6.669 -7.191 11.137 1.00 0.85 H new ATOM 632 N THR A 37 5.321 -8.335 8.803 1.00 0.64 N ATOM 633 CA THR A 37 4.137 -9.184 8.717 1.00 0.64 C ATOM 634 C THR A 37 3.288 -8.806 7.510 1.00 0.66 C ATOM 635 O THR A 37 3.198 -7.635 7.147 1.00 0.92 O ATOM 636 CB THR A 37 3.307 -9.068 9.997 1.00 0.72 C ATOM 637 OG1 THR A 37 4.103 -9.338 11.138 1.00 1.70 O ATOM 638 CG2 THR A 37 2.121 -10.007 10.028 1.00 1.49 C ATOM 0 H THR A 37 5.182 -7.382 8.468 1.00 0.64 H new ATOM 0 HA THR A 37 4.466 -10.216 8.599 1.00 0.64 H new ATOM 0 HB THR A 37 2.937 -8.043 10.010 1.00 0.72 H new ATOM 0 HG1 THR A 37 3.554 -9.257 11.946 1.00 1.70 H new ATOM 0 HG21 THR A 37 1.576 -9.874 10.962 1.00 1.49 H new ATOM 0 HG22 THR A 37 1.461 -9.788 9.188 1.00 1.49 H new ATOM 0 HG23 THR A 37 2.470 -11.037 9.956 1.00 1.49 H new ATOM 646 N ASN A 38 2.655 -9.805 6.896 1.00 0.52 N ATOM 647 CA ASN A 38 1.814 -9.582 5.722 1.00 0.56 C ATOM 648 C ASN A 38 0.891 -8.383 5.920 1.00 0.65 C ATOM 649 O ASN A 38 0.095 -8.348 6.858 1.00 0.82 O ATOM 650 CB ASN A 38 0.982 -10.830 5.423 1.00 0.59 C ATOM 651 CG ASN A 38 0.234 -10.726 4.107 1.00 1.06 C ATOM 652 OD1 ASN A 38 -0.394 -9.708 3.818 1.00 2.08 O ATOM 653 ND2 ASN A 38 0.298 -11.782 3.305 1.00 1.04 N ATOM 0 H ASN A 38 2.709 -10.779 7.194 1.00 0.52 H new ATOM 0 HA ASN A 38 2.470 -9.373 4.877 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.636 -11.702 5.398 1.00 0.59 H new ATOM 0 HB3 ASN A 38 0.269 -10.990 6.231 1.00 0.59 H new ATOM 0 HD21 ASN A 38 -0.186 -11.771 2.407 1.00 1.04 H new ATOM 0 HD22 ASN A 38 0.831 -12.605 3.587 1.00 1.04 H new ATOM 660 N GLU A 39 1.007 -7.399 5.033 1.00 0.59 N ATOM 661 CA GLU A 39 0.184 -6.197 5.114 1.00 0.69 C ATOM 662 C GLU A 39 -0.427 -5.855 3.752 1.00 0.54 C ATOM 663 O GLU A 39 0.282 -5.719 2.755 1.00 0.60 O ATOM 664 CB GLU A 39 1.023 -5.023 5.671 1.00 0.94 C ATOM 665 CG GLU A 39 0.729 -3.653 5.063 1.00 0.81 C ATOM 666 CD GLU A 39 1.575 -2.551 5.669 1.00 1.14 C ATOM 667 OE1 GLU A 39 2.818 -2.678 5.652 1.00 1.36 O ATOM 668 OE2 GLU A 39 0.995 -1.561 6.161 1.00 1.45 O ATOM 0 H GLU A 39 1.662 -7.410 4.251 1.00 0.59 H new ATOM 0 HA GLU A 39 -0.644 -6.382 5.798 1.00 0.69 H new ATOM 0 HB2 GLU A 39 0.863 -4.964 6.748 1.00 0.94 H new ATOM 0 HB3 GLU A 39 2.078 -5.249 5.518 1.00 0.94 H new ATOM 0 HG2 GLU A 39 0.905 -3.692 3.988 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -0.325 -3.416 5.205 1.00 0.81 H new ATOM 675 N THR A 40 -1.741 -5.674 3.739 1.00 0.43 N ATOM 676 CA THR A 40 -2.453 -5.268 2.534 1.00 0.35 C ATOM 677 C THR A 40 -3.131 -3.926 2.780 1.00 0.36 C ATOM 678 O THR A 40 -3.807 -3.747 3.793 1.00 0.41 O ATOM 679 CB THR A 40 -3.486 -6.324 2.137 1.00 0.31 C ATOM 680 OG1 THR A 40 -2.871 -7.591 1.980 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.207 -6.000 0.846 1.00 0.40 C ATOM 0 H THR A 40 -2.339 -5.803 4.555 1.00 0.43 H new ATOM 0 HA THR A 40 -1.742 -5.169 1.714 1.00 0.35 H new ATOM 0 HB THR A 40 -4.215 -6.336 2.948 1.00 0.31 H new ATOM 0 HG1 THR A 40 -3.547 -8.254 1.728 1.00 0.40 H new ATOM 0 HG21 THR A 40 -4.925 -6.789 0.622 1.00 0.40 H new ATOM 0 HG22 THR A 40 -4.732 -5.051 0.951 1.00 0.40 H new ATOM 0 HG23 THR A 40 -3.484 -5.927 0.034 1.00 0.40 H new ATOM 689 N CYS A 41 -2.896 -2.963 1.896 1.00 0.34 N ATOM 690 CA CYS A 41 -3.456 -1.631 2.077 1.00 0.33 C ATOM 691 C CYS A 41 -4.141 -1.131 0.815 1.00 0.30 C ATOM 692 O CYS A 41 -3.855 -1.588 -0.291 1.00 0.31 O ATOM 693 CB CYS A 41 -2.364 -0.647 2.502 1.00 0.36 C ATOM 694 SG CYS A 41 -0.757 -0.939 1.726 1.00 0.63 S ATOM 0 H CYS A 41 -2.328 -3.078 1.056 1.00 0.34 H new ATOM 0 HA CYS A 41 -4.208 -1.697 2.863 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -2.691 0.365 2.264 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.246 -0.698 3.584 1.00 0.36 H new ATOM 0 HG CYS A 41 0.143 -0.197 2.300 1.00 0.63 H new ATOM 700 N TYR A 42 -5.037 -0.172 1.001 1.00 0.27 N ATOM 701 CA TYR A 42 -5.790 0.407 -0.101 1.00 0.26 C ATOM 702 C TYR A 42 -5.574 1.919 -0.157 1.00 0.24 C ATOM 703 O TYR A 42 -5.821 2.626 0.820 1.00 0.26 O ATOM 704 CB TYR A 42 -7.279 0.061 0.074 1.00 0.26 C ATOM 705 CG TYR A 42 -8.248 1.013 -0.595 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.485 0.939 -1.962 1.00 0.39 C ATOM 707 CD2 TYR A 42 -8.917 1.987 0.135 1.00 0.28 C ATOM 708 CE1 TYR A 42 -9.364 1.804 -2.582 1.00 0.43 C ATOM 709 CE2 TYR A 42 -9.799 2.858 -0.478 1.00 0.36 C ATOM 710 CZ TYR A 42 -10.038 2.759 -1.812 1.00 0.39 C ATOM 711 OH TYR A 42 -10.895 3.627 -2.450 1.00 0.47 O ATOM 0 H TYR A 42 -5.261 0.224 1.914 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.440 -0.008 -1.046 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.451 -0.941 -0.319 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.505 0.029 1.140 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -7.973 0.192 -2.550 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.746 2.065 1.198 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -9.530 1.745 -3.648 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -10.299 3.618 0.104 1.00 0.36 H new ATOM 0 HH TYR A 42 -11.295 4.234 -1.793 1.00 0.47 H new ATOM 721 N ILE A 43 -5.108 2.405 -1.302 1.00 0.23 N ATOM 722 CA ILE A 43 -4.869 3.836 -1.479 1.00 0.24 C ATOM 723 C ILE A 43 -6.186 4.579 -1.688 1.00 0.27 C ATOM 724 O ILE A 43 -7.130 4.047 -2.271 1.00 0.35 O ATOM 725 CB ILE A 43 -3.922 4.121 -2.670 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.536 3.518 -2.407 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.812 5.622 -2.937 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.673 4.341 -1.474 1.00 1.07 C ATOM 0 H ILE A 43 -4.889 1.834 -2.118 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.388 4.193 -0.568 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.344 3.651 -3.559 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.659 2.520 -1.986 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.016 3.401 -3.358 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.141 5.794 -3.778 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.798 6.023 -3.172 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.419 6.121 -2.051 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.710 3.848 -1.339 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.517 5.331 -1.902 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -2.170 4.437 -0.509 1.00 1.07 H new ATOM 740 N LEU A 44 -6.230 5.819 -1.218 1.00 0.26 N ATOM 741 CA LEU A 44 -7.419 6.650 -1.352 1.00 0.29 C ATOM 742 C LEU A 44 -7.095 7.940 -2.099 1.00 0.26 C ATOM 743 O LEU A 44 -7.889 8.421 -2.907 1.00 0.35 O ATOM 744 CB LEU A 44 -7.990 6.973 0.028 1.00 0.37 C ATOM 745 CG LEU A 44 -9.337 7.699 0.019 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.359 6.918 -0.793 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.832 7.913 1.441 1.00 0.69 C ATOM 0 H LEU A 44 -5.452 6.273 -0.739 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.163 6.097 -1.926 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -8.100 6.043 0.586 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -7.268 7.585 0.569 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.202 8.674 -0.449 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.311 7.450 -0.788 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -10.006 6.815 -1.819 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -10.493 5.929 -0.354 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.791 8.431 1.418 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -9.952 6.948 1.934 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -9.108 8.514 1.992 1.00 0.69 H new ATOM 759 N GLU A 45 -5.917 8.492 -1.826 1.00 0.22 N ATOM 760 CA GLU A 45 -5.475 9.722 -2.469 1.00 0.23 C ATOM 761 C GLU A 45 -4.004 9.980 -2.167 1.00 0.23 C ATOM 762 O GLU A 45 -3.659 10.444 -1.081 1.00 0.38 O ATOM 763 CB GLU A 45 -6.319 10.904 -1.994 1.00 0.29 C ATOM 764 CG GLU A 45 -6.261 11.126 -0.492 1.00 0.52 C ATOM 765 CD GLU A 45 -7.408 11.978 0.015 1.00 0.80 C ATOM 766 OE1 GLU A 45 -8.496 11.934 -0.598 1.00 1.44 O ATOM 767 OE2 GLU A 45 -7.220 12.688 1.025 1.00 1.12 O ATOM 0 H GLU A 45 -5.249 8.104 -1.160 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.599 9.610 -3.546 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -5.981 11.808 -2.500 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.356 10.742 -2.289 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.278 10.161 0.015 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.316 11.605 -0.235 1.00 0.52 H new ATOM 774 N GLY A 46 -3.140 9.658 -3.123 1.00 0.18 N ATOM 775 CA GLY A 46 -1.718 9.853 -2.925 1.00 0.21 C ATOM 776 C GLY A 46 -0.887 9.108 -3.948 1.00 0.19 C ATOM 777 O GLY A 46 -1.396 8.242 -4.661 1.00 0.25 O ATOM 0 H GLY A 46 -3.399 9.267 -4.029 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.489 10.917 -2.980 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.444 9.519 -1.924 1.00 0.21 H new ATOM 781 N LYS A 47 0.394 9.445 -4.021 1.00 0.23 N ATOM 782 CA LYS A 47 1.300 8.802 -4.960 1.00 0.29 C ATOM 783 C LYS A 47 2.503 8.221 -4.232 1.00 0.25 C ATOM 784 O LYS A 47 3.245 8.942 -3.564 1.00 0.24 O ATOM 785 CB LYS A 47 1.764 9.803 -6.018 1.00 0.41 C ATOM 786 CG LYS A 47 1.391 9.403 -7.434 1.00 0.57 C ATOM 787 CD LYS A 47 2.528 9.668 -8.407 1.00 1.12 C ATOM 788 CE LYS A 47 3.550 8.542 -8.390 1.00 0.50 C ATOM 789 NZ LYS A 47 3.012 7.293 -8.998 1.00 1.10 N ATOM 0 H LYS A 47 0.829 10.162 -3.439 1.00 0.23 H new ATOM 0 HA LYS A 47 0.764 7.989 -5.451 1.00 0.29 H new ATOM 0 HB2 LYS A 47 1.331 10.779 -5.798 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.847 9.913 -5.953 1.00 0.41 H new ATOM 0 HG2 LYS A 47 1.130 8.345 -7.457 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.506 9.956 -7.748 1.00 0.57 H new ATOM 0 HD2 LYS A 47 2.127 9.782 -9.414 1.00 1.12 H new ATOM 0 HD3 LYS A 47 3.016 10.608 -8.150 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.443 8.854 -8.932 1.00 0.50 H new ATOM 0 HE3 LYS A 47 3.854 8.343 -7.362 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 3.799 6.661 -9.247 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 2.387 6.816 -8.317 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 2.473 7.529 -9.856 1.00 1.10 H new ATOM 803 N VAL A 48 2.697 6.917 -4.374 1.00 0.31 N ATOM 804 CA VAL A 48 3.813 6.241 -3.725 1.00 0.32 C ATOM 805 C VAL A 48 4.588 5.386 -4.728 1.00 0.30 C ATOM 806 O VAL A 48 4.018 4.536 -5.412 1.00 0.34 O ATOM 807 CB VAL A 48 3.318 5.375 -2.533 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.324 4.295 -2.136 1.00 0.52 C ATOM 809 CG2 VAL A 48 3.011 6.262 -1.337 1.00 0.64 C ATOM 0 H VAL A 48 2.098 6.307 -4.931 1.00 0.31 H new ATOM 0 HA VAL A 48 4.487 7.003 -3.334 1.00 0.32 H new ATOM 0 HB VAL A 48 2.411 4.867 -2.860 1.00 0.39 H new ATOM 0 HG11 VAL A 48 3.929 3.719 -1.299 1.00 0.52 H new ATOM 0 HG12 VAL A 48 4.498 3.631 -2.983 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.264 4.763 -1.843 1.00 0.52 H new ATOM 0 HG21 VAL A 48 2.665 5.646 -0.507 1.00 0.64 H new ATOM 0 HG22 VAL A 48 3.913 6.798 -1.040 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.235 6.979 -1.605 1.00 0.64 H new ATOM 819 N GLU A 49 5.897 5.603 -4.781 1.00 0.31 N ATOM 820 CA GLU A 49 6.769 4.830 -5.654 1.00 0.30 C ATOM 821 C GLU A 49 7.636 3.895 -4.818 1.00 0.30 C ATOM 822 O GLU A 49 8.463 4.344 -4.026 1.00 0.36 O ATOM 823 CB GLU A 49 7.647 5.757 -6.495 1.00 0.36 C ATOM 824 CG GLU A 49 6.855 6.737 -7.347 1.00 0.38 C ATOM 825 CD GLU A 49 7.745 7.628 -8.193 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.816 8.036 -7.697 1.00 0.96 O ATOM 827 OE2 GLU A 49 7.371 7.916 -9.348 1.00 0.75 O ATOM 0 H GLU A 49 6.378 6.311 -4.227 1.00 0.31 H new ATOM 0 HA GLU A 49 6.153 4.237 -6.330 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.309 6.316 -5.834 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.281 5.153 -7.145 1.00 0.36 H new ATOM 0 HG2 GLU A 49 6.179 6.183 -7.998 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.236 7.358 -6.699 1.00 0.38 H new ATOM 834 N VAL A 50 7.420 2.594 -4.975 1.00 0.26 N ATOM 835 CA VAL A 50 8.141 1.602 -4.187 1.00 0.28 C ATOM 836 C VAL A 50 9.271 0.956 -4.980 1.00 0.26 C ATOM 837 O VAL A 50 9.086 0.539 -6.122 1.00 0.21 O ATOM 838 CB VAL A 50 7.188 0.495 -3.687 1.00 0.29 C ATOM 839 CG1 VAL A 50 7.948 -0.580 -2.923 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.085 1.092 -2.826 1.00 0.33 C ATOM 0 H VAL A 50 6.753 2.202 -5.640 1.00 0.26 H new ATOM 0 HA VAL A 50 8.569 2.133 -3.337 1.00 0.28 H new ATOM 0 HB VAL A 50 6.730 0.024 -4.557 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.251 -1.346 -2.583 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.694 -1.032 -3.576 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.444 -0.132 -2.062 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.422 0.298 -2.482 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.527 1.594 -1.965 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.515 1.812 -3.413 1.00 0.33 H new ATOM 850 N THR A 51 10.438 0.863 -4.350 1.00 0.32 N ATOM 851 CA THR A 51 11.590 0.208 -4.954 1.00 0.33 C ATOM 852 C THR A 51 12.152 -0.844 -4.004 1.00 0.37 C ATOM 853 O THR A 51 12.644 -0.517 -2.924 1.00 0.44 O ATOM 854 CB THR A 51 12.672 1.232 -5.299 1.00 0.40 C ATOM 855 OG1 THR A 51 12.133 2.292 -6.068 1.00 0.49 O ATOM 856 CG2 THR A 51 13.826 0.637 -6.076 1.00 0.42 C ATOM 0 H THR A 51 10.610 1.236 -3.416 1.00 0.32 H new ATOM 0 HA THR A 51 11.267 -0.279 -5.874 1.00 0.33 H new ATOM 0 HB THR A 51 13.047 1.594 -4.342 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.840 2.937 -6.277 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.560 1.414 -6.290 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.294 -0.151 -5.486 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.457 0.219 -7.012 1.00 0.42 H new ATOM 864 N THR A 52 12.080 -2.107 -4.408 1.00 0.33 N ATOM 865 CA THR A 52 12.571 -3.200 -3.575 1.00 0.39 C ATOM 866 C THR A 52 14.029 -3.518 -3.889 1.00 0.42 C ATOM 867 O THR A 52 14.459 -3.444 -5.039 1.00 0.42 O ATOM 868 CB THR A 52 11.712 -4.449 -3.773 1.00 0.37 C ATOM 869 OG1 THR A 52 11.847 -4.947 -5.092 1.00 0.39 O ATOM 870 CG2 THR A 52 10.239 -4.213 -3.515 1.00 0.36 C ATOM 0 H THR A 52 11.688 -2.400 -5.303 1.00 0.33 H new ATOM 0 HA THR A 52 12.505 -2.882 -2.534 1.00 0.39 H new ATOM 0 HB THR A 52 12.078 -5.169 -3.041 1.00 0.37 H new ATOM 0 HG1 THR A 52 12.634 -5.528 -5.143 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.689 -5.140 -3.674 1.00 0.36 H new ATOM 0 HG22 THR A 52 10.099 -3.879 -2.487 1.00 0.36 H new ATOM 0 HG23 THR A 52 9.868 -3.449 -4.198 1.00 0.36 H new ATOM 878 N GLU A 53 14.784 -3.877 -2.855 1.00 0.59 N ATOM 879 CA GLU A 53 16.194 -4.212 -3.014 1.00 0.65 C ATOM 880 C GLU A 53 16.386 -5.260 -4.104 1.00 0.55 C ATOM 881 O GLU A 53 17.315 -5.173 -4.906 1.00 0.52 O ATOM 882 CB GLU A 53 16.769 -4.725 -1.692 1.00 0.79 C ATOM 883 CG GLU A 53 15.848 -5.690 -0.964 1.00 1.21 C ATOM 884 CD GLU A 53 16.446 -7.076 -0.827 1.00 2.08 C ATOM 885 OE1 GLU A 53 17.223 -7.480 -1.718 1.00 2.77 O ATOM 886 OE2 GLU A 53 16.136 -7.759 0.172 1.00 2.47 O ATOM 0 H GLU A 53 14.441 -3.943 -1.897 1.00 0.59 H new ATOM 0 HA GLU A 53 16.725 -3.307 -3.308 1.00 0.65 H new ATOM 0 HB2 GLU A 53 17.720 -5.220 -1.887 1.00 0.79 H new ATOM 0 HB3 GLU A 53 16.979 -3.875 -1.042 1.00 0.79 H new ATOM 0 HG2 GLU A 53 15.625 -5.295 0.027 1.00 1.21 H new ATOM 0 HG3 GLU A 53 14.902 -5.758 -1.501 1.00 1.21 H new ATOM 893 N ASP A 54 15.500 -6.252 -4.127 1.00 0.52 N ATOM 894 CA ASP A 54 15.572 -7.317 -5.122 1.00 0.46 C ATOM 895 C ASP A 54 15.690 -6.738 -6.528 1.00 0.38 C ATOM 896 O ASP A 54 16.320 -7.331 -7.404 1.00 0.39 O ATOM 897 CB ASP A 54 14.336 -8.213 -5.030 1.00 0.49 C ATOM 898 CG ASP A 54 14.279 -8.990 -3.729 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.163 -8.779 -2.872 1.00 1.43 O ATOM 900 OD2 ASP A 54 13.351 -9.810 -3.568 1.00 1.88 O ATOM 0 H ASP A 54 14.725 -6.340 -3.469 1.00 0.52 H new ATOM 0 HA ASP A 54 16.461 -7.914 -4.917 1.00 0.46 H new ATOM 0 HB2 ASP A 54 13.439 -7.601 -5.123 1.00 0.49 H new ATOM 0 HB3 ASP A 54 14.334 -8.911 -5.867 1.00 0.49 H new ATOM 905 N GLY A 55 15.084 -5.573 -6.732 1.00 0.35 N ATOM 906 CA GLY A 55 15.135 -4.927 -8.030 1.00 0.33 C ATOM 907 C GLY A 55 13.763 -4.760 -8.652 1.00 0.31 C ATOM 908 O GLY A 55 13.636 -4.654 -9.872 1.00 0.40 O ATOM 0 H GLY A 55 14.558 -5.065 -6.021 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.605 -3.949 -7.927 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.764 -5.514 -8.699 1.00 0.33 H new ATOM 912 N LYS A 56 12.734 -4.736 -7.812 1.00 0.26 N ATOM 913 CA LYS A 56 11.367 -4.571 -8.286 1.00 0.25 C ATOM 914 C LYS A 56 10.895 -3.138 -8.086 1.00 0.24 C ATOM 915 O LYS A 56 11.612 -2.311 -7.523 1.00 0.26 O ATOM 916 CB LYS A 56 10.430 -5.534 -7.553 1.00 0.26 C ATOM 917 CG LYS A 56 11.058 -6.886 -7.260 1.00 0.37 C ATOM 918 CD LYS A 56 11.655 -7.503 -8.513 1.00 0.81 C ATOM 919 CE LYS A 56 11.154 -8.922 -8.731 1.00 0.86 C ATOM 920 NZ LYS A 56 11.638 -9.489 -10.020 1.00 1.72 N ATOM 0 H LYS A 56 12.822 -4.829 -6.800 1.00 0.26 H new ATOM 0 HA LYS A 56 11.348 -4.798 -9.352 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.115 -5.078 -6.615 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.532 -5.682 -8.153 1.00 0.26 H new ATOM 0 HG2 LYS A 56 11.834 -6.772 -6.503 1.00 0.37 H new ATOM 0 HG3 LYS A 56 10.305 -7.556 -6.846 1.00 0.37 H new ATOM 0 HD2 LYS A 56 11.401 -6.890 -9.378 1.00 0.81 H new ATOM 0 HD3 LYS A 56 12.742 -7.508 -8.434 1.00 0.81 H new ATOM 0 HE2 LYS A 56 11.486 -9.555 -7.908 1.00 0.86 H new ATOM 0 HE3 LYS A 56 10.064 -8.928 -8.718 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 11.275 -10.457 -10.131 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 11.300 -8.900 -10.807 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 12.678 -9.507 -10.023 1.00 1.72 H new ATOM 934 N LYS A 57 9.687 -2.849 -8.553 1.00 0.24 N ATOM 935 CA LYS A 57 9.119 -1.516 -8.417 1.00 0.23 C ATOM 936 C LYS A 57 7.598 -1.569 -8.470 1.00 0.26 C ATOM 937 O LYS A 57 7.021 -2.268 -9.303 1.00 0.36 O ATOM 938 CB LYS A 57 9.651 -0.597 -9.516 1.00 0.29 C ATOM 939 CG LYS A 57 9.620 0.876 -9.145 1.00 0.54 C ATOM 940 CD LYS A 57 10.937 1.323 -8.532 1.00 0.73 C ATOM 941 CE LYS A 57 12.102 1.091 -9.480 1.00 0.67 C ATOM 942 NZ LYS A 57 13.161 2.124 -9.322 1.00 1.32 N ATOM 0 H LYS A 57 9.083 -3.520 -9.029 1.00 0.24 H new ATOM 0 HA LYS A 57 9.417 -1.116 -7.448 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.676 -0.882 -9.752 1.00 0.29 H new ATOM 0 HB3 LYS A 57 9.062 -0.748 -10.421 1.00 0.29 H new ATOM 0 HG2 LYS A 57 9.410 1.472 -10.033 1.00 0.54 H new ATOM 0 HG3 LYS A 57 8.809 1.058 -8.440 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.880 2.381 -8.277 1.00 0.73 H new ATOM 0 HD3 LYS A 57 11.109 0.780 -7.603 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.527 0.104 -9.297 1.00 0.67 H new ATOM 0 HE3 LYS A 57 11.740 1.097 -10.508 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 13.937 1.930 -9.986 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 12.762 3.064 -9.521 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 13.525 2.102 -8.348 1.00 1.32 H new ATOM 956 N TYR A 58 6.952 -0.833 -7.574 1.00 0.23 N ATOM 957 CA TYR A 58 5.497 -0.815 -7.515 1.00 0.28 C ATOM 958 C TYR A 58 4.972 0.600 -7.317 1.00 0.23 C ATOM 959 O TYR A 58 5.180 1.210 -6.268 1.00 0.23 O ATOM 960 CB TYR A 58 4.991 -1.715 -6.382 1.00 0.37 C ATOM 961 CG TYR A 58 5.906 -2.877 -6.063 1.00 0.39 C ATOM 962 CD1 TYR A 58 6.185 -3.844 -7.019 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.479 -3.010 -4.805 1.00 0.40 C ATOM 964 CE1 TYR A 58 7.017 -4.911 -6.731 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.312 -4.072 -4.510 1.00 0.44 C ATOM 966 CZ TYR A 58 7.599 -5.003 -5.477 1.00 0.46 C ATOM 967 OH TYR A 58 8.406 -6.078 -5.185 1.00 0.51 O ATOM 0 H TYR A 58 7.412 -0.243 -6.881 1.00 0.23 H new ATOM 0 HA TYR A 58 5.125 -1.194 -8.467 1.00 0.28 H new ATOM 0 HB2 TYR A 58 4.860 -1.112 -5.484 1.00 0.37 H new ATOM 0 HB3 TYR A 58 4.009 -2.103 -6.651 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.746 -3.762 -8.002 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.270 -2.271 -4.045 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.211 -5.666 -7.478 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.736 -4.169 -3.522 1.00 0.44 H new ATOM 0 HH TYR A 58 8.457 -6.670 -5.964 1.00 0.51 H new ATOM 977 N VAL A 59 4.283 1.114 -8.328 1.00 0.27 N ATOM 978 CA VAL A 59 3.700 2.444 -8.256 1.00 0.26 C ATOM 979 C VAL A 59 2.201 2.351 -8.003 1.00 0.28 C ATOM 980 O VAL A 59 1.454 1.822 -8.825 1.00 0.37 O ATOM 981 CB VAL A 59 3.947 3.241 -9.550 1.00 0.37 C ATOM 982 CG1 VAL A 59 5.424 3.575 -9.698 1.00 1.24 C ATOM 983 CG2 VAL A 59 3.443 2.466 -10.759 1.00 0.47 C ATOM 0 H VAL A 59 4.115 0.627 -9.209 1.00 0.27 H new ATOM 0 HA VAL A 59 4.182 2.967 -7.430 1.00 0.26 H new ATOM 0 HB VAL A 59 3.391 4.177 -9.491 1.00 0.37 H new ATOM 0 HG11 VAL A 59 5.579 4.138 -10.618 1.00 1.24 H new ATOM 0 HG12 VAL A 59 5.749 4.174 -8.847 1.00 1.24 H new ATOM 0 HG13 VAL A 59 6.004 2.653 -9.735 1.00 1.24 H new ATOM 0 HG21 VAL A 59 3.626 3.045 -11.664 1.00 0.47 H new ATOM 0 HG22 VAL A 59 3.968 1.513 -10.825 1.00 0.47 H new ATOM 0 HG23 VAL A 59 2.373 2.284 -10.655 1.00 0.47 H new ATOM 993 N ILE A 60 1.769 2.850 -6.852 1.00 0.27 N ATOM 994 CA ILE A 60 0.362 2.794 -6.481 1.00 0.33 C ATOM 995 C ILE A 60 -0.188 4.184 -6.190 1.00 0.29 C ATOM 996 O ILE A 60 0.310 4.884 -5.307 1.00 0.40 O ATOM 997 CB ILE A 60 0.151 1.905 -5.244 1.00 0.42 C ATOM 998 CG1 ILE A 60 1.144 2.291 -4.147 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.307 0.439 -5.613 1.00 0.52 C ATOM 1000 CD1 ILE A 60 0.546 2.276 -2.758 1.00 0.94 C ATOM 0 H ILE A 60 2.372 3.297 -6.161 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.174 2.367 -7.329 1.00 0.33 H new ATOM 0 HB ILE A 60 -0.861 2.058 -4.869 1.00 0.42 H new ATOM 0 HG12 ILE A 60 1.991 1.605 -4.177 1.00 0.43 H new ATOM 0 HG13 ILE A 60 1.534 3.287 -4.355 1.00 0.43 H new ATOM 0 HG21 ILE A 60 0.155 -0.177 -4.727 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.431 0.174 -6.371 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.309 0.267 -6.007 1.00 0.52 H new ATOM 0 HD11 ILE A 60 1.307 2.560 -2.031 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -0.282 2.983 -2.711 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.182 1.274 -2.530 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.188 4.599 -6.961 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.781 5.914 -6.777 1.00 0.24 C ATOM 1014 C GLU A 61 -3.295 5.890 -6.913 1.00 0.23 C ATOM 1015 O GLU A 61 -3.845 5.310 -7.849 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.192 6.904 -7.779 1.00 0.39 C ATOM 1017 CG GLU A 61 -1.681 8.328 -7.575 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.501 9.190 -8.810 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -0.724 8.794 -9.703 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -2.135 10.264 -8.882 1.00 0.79 O ATOM 0 H GLU A 61 -1.601 4.047 -7.713 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.545 6.230 -5.761 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.105 6.886 -7.701 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.445 6.582 -8.789 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -2.736 8.310 -7.300 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -1.142 8.777 -6.741 1.00 0.41 H new ATOM 1027 N LYS A 62 -3.951 6.579 -5.990 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.398 6.741 -6.010 1.00 0.25 C ATOM 1029 C LYS A 62 -6.160 5.430 -6.188 1.00 0.28 C ATOM 1030 O LYS A 62 -6.135 4.813 -7.253 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.800 7.712 -7.122 1.00 0.40 C ATOM 1032 CG LYS A 62 -6.900 8.684 -6.716 1.00 0.50 C ATOM 1033 CD LYS A 62 -7.988 7.999 -5.899 1.00 0.57 C ATOM 1034 CE LYS A 62 -9.163 8.928 -5.650 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.459 8.308 -6.041 1.00 0.82 N ATOM 0 H LYS A 62 -3.494 7.042 -5.205 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.671 7.136 -5.032 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -4.922 8.279 -7.432 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -6.133 7.141 -7.988 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -6.468 9.499 -6.135 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.341 9.127 -7.609 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -8.332 7.108 -6.424 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -7.575 7.668 -4.946 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -9.194 9.197 -4.594 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -9.020 9.852 -6.211 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -11.234 8.976 -5.854 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.440 8.074 -7.054 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -10.610 7.440 -5.488 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.921 5.082 -5.159 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.797 3.922 -5.208 1.00 0.39 C ATOM 1051 C GLY A 63 -7.159 2.670 -5.776 1.00 0.39 C ATOM 1052 O GLY A 63 -7.645 2.114 -6.761 1.00 0.68 O ATOM 0 H GLY A 63 -6.948 5.591 -4.275 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.150 3.708 -4.199 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.673 4.170 -5.807 1.00 0.39 H new ATOM 1056 N ASP A 64 -6.114 2.187 -5.121 1.00 0.33 N ATOM 1057 CA ASP A 64 -5.466 0.947 -5.533 1.00 0.35 C ATOM 1058 C ASP A 64 -4.923 0.197 -4.319 1.00 0.32 C ATOM 1059 O ASP A 64 -4.726 0.782 -3.254 1.00 0.49 O ATOM 1060 CB ASP A 64 -4.347 1.228 -6.534 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.183 1.972 -5.918 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -3.205 2.186 -4.692 1.00 2.00 O ATOM 1063 OD2 ASP A 64 -2.248 2.340 -6.660 1.00 1.51 O ATOM 0 H ASP A 64 -5.696 2.632 -4.304 1.00 0.33 H new ATOM 0 HA ASP A 64 -6.211 0.319 -6.022 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.991 0.285 -6.948 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -4.746 1.811 -7.364 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.714 -1.106 -4.475 1.00 0.29 N ATOM 1069 CA LEU A 65 -4.201 -1.931 -3.385 1.00 0.26 C ATOM 1070 C LEU A 65 -3.146 -2.913 -3.886 1.00 0.24 C ATOM 1071 O LEU A 65 -3.180 -3.342 -5.039 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.346 -2.662 -2.674 1.00 0.31 C ATOM 1073 CG LEU A 65 -5.738 -4.031 -3.236 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -6.987 -4.537 -2.535 1.00 0.47 C ATOM 1075 CD2 LEU A 65 -5.960 -3.960 -4.735 1.00 0.37 C ATOM 0 H LEU A 65 -4.891 -1.613 -5.342 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.719 -1.273 -2.661 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -5.071 -2.789 -1.627 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -6.226 -2.020 -2.696 1.00 0.31 H new ATOM 0 HG LEU A 65 -4.921 -4.728 -3.053 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -7.261 -5.512 -2.939 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -6.793 -4.629 -1.466 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -7.805 -3.834 -2.696 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -6.237 -4.946 -5.109 1.00 0.37 H new ATOM 0 HD22 LEU A 65 -6.760 -3.252 -4.951 1.00 0.37 H new ATOM 0 HD23 LEU A 65 -5.043 -3.632 -5.224 1.00 0.37 H new ATOM 1087 N VAL A 66 -2.186 -3.230 -3.026 1.00 0.22 N ATOM 1088 CA VAL A 66 -1.100 -4.128 -3.393 1.00 0.24 C ATOM 1089 C VAL A 66 -0.809 -5.135 -2.284 1.00 0.22 C ATOM 1090 O VAL A 66 -1.037 -4.863 -1.106 1.00 0.24 O ATOM 1091 CB VAL A 66 0.183 -3.335 -3.709 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.331 -4.272 -4.046 1.00 0.54 C ATOM 1093 CG2 VAL A 66 -0.065 -2.357 -4.844 1.00 0.30 C ATOM 0 H VAL A 66 -2.138 -2.878 -2.070 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.419 -4.670 -4.283 1.00 0.24 H new ATOM 0 HB VAL A 66 0.463 -2.769 -2.821 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.225 -3.688 -4.265 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.525 -4.929 -3.198 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.067 -4.872 -4.917 1.00 0.54 H new ATOM 0 HG21 VAL A 66 0.851 -1.805 -5.055 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.372 -2.904 -5.735 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -0.852 -1.659 -4.558 1.00 0.30 H new ATOM 1103 N THR A 67 -0.321 -6.309 -2.677 1.00 0.24 N ATOM 1104 CA THR A 67 0.029 -7.351 -1.720 1.00 0.24 C ATOM 1105 C THR A 67 1.532 -7.356 -1.483 1.00 0.27 C ATOM 1106 O THR A 67 2.308 -7.050 -2.385 1.00 0.32 O ATOM 1107 CB THR A 67 -0.429 -8.720 -2.228 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.842 -8.779 -2.301 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.037 -9.868 -1.359 1.00 0.25 C ATOM 0 H THR A 67 -0.160 -6.561 -3.652 1.00 0.24 H new ATOM 0 HA THR A 67 -0.478 -7.144 -0.778 1.00 0.24 H new ATOM 0 HB THR A 67 0.022 -8.829 -3.214 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.139 -9.701 -2.153 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.322 -10.809 -1.776 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.126 -9.879 -1.324 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.357 -9.744 -0.350 1.00 0.25 H new ATOM 1117 N PHE A 68 1.942 -7.686 -0.268 1.00 0.31 N ATOM 1118 CA PHE A 68 3.356 -7.685 0.070 1.00 0.39 C ATOM 1119 C PHE A 68 3.705 -8.829 1.019 1.00 0.37 C ATOM 1120 O PHE A 68 2.962 -9.117 1.957 1.00 0.40 O ATOM 1121 CB PHE A 68 3.723 -6.348 0.705 1.00 0.55 C ATOM 1122 CG PHE A 68 3.365 -5.161 -0.142 1.00 0.49 C ATOM 1123 CD1 PHE A 68 4.232 -4.701 -1.121 1.00 0.53 C ATOM 1124 CD2 PHE A 68 2.158 -4.506 0.040 1.00 0.62 C ATOM 1125 CE1 PHE A 68 3.902 -3.608 -1.900 1.00 0.55 C ATOM 1126 CE2 PHE A 68 1.823 -3.412 -0.736 1.00 0.67 C ATOM 1127 CZ PHE A 68 2.696 -2.962 -1.707 1.00 0.57 C ATOM 0 H PHE A 68 1.321 -7.956 0.495 1.00 0.31 H new ATOM 0 HA PHE A 68 3.929 -7.829 -0.846 1.00 0.39 H new ATOM 0 HB2 PHE A 68 3.219 -6.262 1.668 1.00 0.55 H new ATOM 0 HB3 PHE A 68 4.795 -6.332 0.904 1.00 0.55 H new ATOM 0 HD1 PHE A 68 5.176 -5.202 -1.277 1.00 0.53 H new ATOM 0 HD2 PHE A 68 1.471 -4.854 0.797 1.00 0.62 H new ATOM 0 HE1 PHE A 68 4.586 -3.259 -2.659 1.00 0.55 H new ATOM 0 HE2 PHE A 68 0.879 -2.910 -0.583 1.00 0.67 H new ATOM 0 HZ PHE A 68 2.437 -2.107 -2.314 1.00 0.57 H new ATOM 1137 N PRO A 69 4.855 -9.491 0.793 1.00 0.39 N ATOM 1138 CA PRO A 69 5.304 -10.603 1.622 1.00 0.43 C ATOM 1139 C PRO A 69 6.110 -10.152 2.830 1.00 0.48 C ATOM 1140 O PRO A 69 6.894 -9.207 2.745 1.00 0.63 O ATOM 1141 CB PRO A 69 6.202 -11.387 0.672 1.00 0.50 C ATOM 1142 CG PRO A 69 6.788 -10.355 -0.235 1.00 0.50 C ATOM 1143 CD PRO A 69 5.801 -9.214 -0.303 1.00 0.43 C ATOM 0 HA PRO A 69 4.466 -11.166 2.033 1.00 0.43 H new ATOM 0 HB2 PRO A 69 6.980 -11.924 1.215 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.633 -12.129 0.112 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.750 -10.010 0.144 1.00 0.50 H new ATOM 0 HG3 PRO A 69 6.966 -10.770 -1.227 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.295 -8.251 -0.170 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.295 -9.182 -1.268 1.00 0.43 H new ATOM 1151 N LYS A 70 5.954 -10.864 3.940 1.00 0.44 N ATOM 1152 CA LYS A 70 6.712 -10.564 5.147 1.00 0.49 C ATOM 1153 C LYS A 70 8.201 -10.474 4.824 1.00 0.51 C ATOM 1154 O LYS A 70 8.705 -11.213 3.979 1.00 0.69 O ATOM 1155 CB LYS A 70 6.470 -11.642 6.206 1.00 0.61 C ATOM 1156 CG LYS A 70 7.371 -11.515 7.422 1.00 0.82 C ATOM 1157 CD LYS A 70 6.867 -12.362 8.579 1.00 0.78 C ATOM 1158 CE LYS A 70 7.096 -13.843 8.324 1.00 1.10 C ATOM 1159 NZ LYS A 70 7.003 -14.644 9.575 1.00 1.62 N ATOM 0 H LYS A 70 5.311 -11.651 4.028 1.00 0.44 H new ATOM 0 HA LYS A 70 6.377 -9.604 5.540 1.00 0.49 H new ATOM 0 HB2 LYS A 70 5.430 -11.595 6.529 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.620 -12.623 5.754 1.00 0.61 H new ATOM 0 HG2 LYS A 70 8.384 -11.821 7.159 1.00 0.82 H new ATOM 0 HG3 LYS A 70 7.423 -10.471 7.730 1.00 0.82 H new ATOM 0 HD2 LYS A 70 7.376 -12.066 9.497 1.00 0.78 H new ATOM 0 HD3 LYS A 70 5.803 -12.178 8.730 1.00 0.78 H new ATOM 0 HE2 LYS A 70 6.361 -14.205 7.606 1.00 1.10 H new ATOM 0 HE3 LYS A 70 8.078 -13.986 7.874 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 7.165 -15.648 9.357 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 7.722 -14.316 10.252 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 6.057 -14.529 9.992 1.00 1.62 H new ATOM 1173 N GLY A 71 8.889 -9.537 5.461 1.00 0.46 N ATOM 1174 CA GLY A 71 10.308 -9.365 5.209 1.00 0.46 C ATOM 1175 C GLY A 71 10.599 -8.402 4.069 1.00 0.36 C ATOM 1176 O GLY A 71 11.680 -7.813 4.014 1.00 0.36 O ATOM 0 H GLY A 71 8.493 -8.894 6.146 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.791 -9.001 6.116 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.750 -10.334 4.980 1.00 0.46 H new ATOM 1180 N LEU A 72 9.643 -8.238 3.152 1.00 0.36 N ATOM 1181 CA LEU A 72 9.827 -7.354 2.000 1.00 0.34 C ATOM 1182 C LEU A 72 10.442 -6.014 2.408 1.00 0.31 C ATOM 1183 O LEU A 72 9.730 -5.064 2.731 1.00 0.60 O ATOM 1184 CB LEU A 72 8.487 -7.124 1.287 1.00 0.43 C ATOM 1185 CG LEU A 72 8.445 -5.954 0.289 1.00 0.51 C ATOM 1186 CD1 LEU A 72 9.781 -5.784 -0.422 1.00 1.13 C ATOM 1187 CD2 LEU A 72 7.332 -6.164 -0.726 1.00 1.08 C ATOM 0 H LEU A 72 8.736 -8.704 3.185 1.00 0.36 H new ATOM 0 HA LEU A 72 10.520 -7.844 1.316 1.00 0.34 H new ATOM 0 HB2 LEU A 72 8.219 -8.038 0.756 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.720 -6.958 2.043 1.00 0.43 H new ATOM 0 HG LEU A 72 8.245 -5.042 0.852 1.00 0.51 H new ATOM 0 HD11 LEU A 72 9.718 -4.949 -1.120 1.00 1.13 H new ATOM 0 HD12 LEU A 72 10.561 -5.585 0.313 1.00 1.13 H new ATOM 0 HD13 LEU A 72 10.021 -6.696 -0.968 1.00 1.13 H new ATOM 0 HD21 LEU A 72 7.315 -5.328 -1.425 1.00 1.08 H new ATOM 0 HD22 LEU A 72 7.508 -7.091 -1.272 1.00 1.08 H new ATOM 0 HD23 LEU A 72 6.374 -6.224 -0.209 1.00 1.08 H new ATOM 1199 N ARG A 73 11.765 -5.925 2.328 1.00 0.26 N ATOM 1200 CA ARG A 73 12.469 -4.696 2.674 1.00 0.23 C ATOM 1201 C ARG A 73 12.608 -3.792 1.454 1.00 0.20 C ATOM 1202 O ARG A 73 13.262 -4.151 0.474 1.00 0.24 O ATOM 1203 CB ARG A 73 13.853 -5.021 3.239 1.00 0.27 C ATOM 1204 CG ARG A 73 14.427 -3.918 4.114 1.00 0.43 C ATOM 1205 CD ARG A 73 15.765 -3.428 3.587 1.00 0.68 C ATOM 1206 NE ARG A 73 16.872 -3.816 4.456 1.00 1.54 N ATOM 1207 CZ ARG A 73 17.143 -3.223 5.614 1.00 2.09 C ATOM 1208 NH1 ARG A 73 16.388 -2.217 6.039 1.00 2.73 N ATOM 1209 NH2 ARG A 73 18.167 -3.634 6.348 1.00 2.40 N ATOM 0 H ARG A 73 12.371 -6.688 2.027 1.00 0.26 H new ATOM 0 HA ARG A 73 11.887 -4.171 3.432 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.792 -5.941 3.821 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.538 -5.212 2.413 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.725 -3.085 4.158 1.00 0.43 H new ATOM 0 HG3 ARG A 73 14.549 -4.287 5.133 1.00 0.43 H new ATOM 0 HD2 ARG A 73 15.930 -3.831 2.588 1.00 0.68 H new ATOM 0 HD3 ARG A 73 15.742 -2.342 3.493 1.00 0.68 H new ATOM 0 HE ARG A 73 17.471 -4.586 4.158 1.00 1.54 H new ATOM 0 HH11 ARG A 73 15.599 -1.899 5.477 1.00 2.73 H new ATOM 0 HH12 ARG A 73 16.597 -1.763 6.928 1.00 2.73 H new ATOM 0 HH21 ARG A 73 18.749 -4.407 6.024 1.00 2.40 H new ATOM 0 HH22 ARG A 73 18.373 -3.178 7.237 1.00 2.40 H new ATOM 1223 N CYS A 74 11.974 -2.623 1.510 1.00 0.20 N ATOM 1224 CA CYS A 74 12.024 -1.677 0.401 1.00 0.22 C ATOM 1225 C CYS A 74 11.883 -0.240 0.892 1.00 0.24 C ATOM 1226 O CYS A 74 11.377 0.006 1.986 1.00 0.31 O ATOM 1227 CB CYS A 74 10.923 -1.990 -0.614 1.00 0.27 C ATOM 1228 SG CYS A 74 9.249 -1.679 -0.006 1.00 0.63 S ATOM 0 H CYS A 74 11.422 -2.310 2.309 1.00 0.20 H new ATOM 0 HA CYS A 74 12.997 -1.779 -0.080 1.00 0.22 H new ATOM 0 HB2 CYS A 74 11.089 -1.392 -1.510 1.00 0.27 H new ATOM 0 HB3 CYS A 74 11.002 -3.036 -0.909 1.00 0.27 H new ATOM 0 HG CYS A 74 9.230 -0.563 0.661 1.00 0.63 H new ATOM 1234 N ARG A 75 12.326 0.703 0.069 1.00 0.25 N ATOM 1235 CA ARG A 75 12.243 2.118 0.409 1.00 0.28 C ATOM 1236 C ARG A 75 10.949 2.729 -0.119 1.00 0.31 C ATOM 1237 O ARG A 75 10.566 2.501 -1.267 1.00 0.37 O ATOM 1238 CB ARG A 75 13.445 2.870 -0.165 1.00 0.33 C ATOM 1239 CG ARG A 75 13.805 4.125 0.611 1.00 0.54 C ATOM 1240 CD ARG A 75 13.358 5.381 -0.119 1.00 0.99 C ATOM 1241 NE ARG A 75 14.250 6.508 0.133 1.00 1.50 N ATOM 1242 CZ ARG A 75 15.523 6.540 -0.249 1.00 1.80 C ATOM 1243 NH1 ARG A 75 16.048 5.510 -0.899 1.00 2.32 N ATOM 1244 NH2 ARG A 75 16.272 7.601 0.018 1.00 2.25 N ATOM 0 H ARG A 75 12.747 0.513 -0.840 1.00 0.25 H new ATOM 0 HA ARG A 75 12.249 2.207 1.495 1.00 0.28 H new ATOM 0 HB2 ARG A 75 14.307 2.203 -0.180 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.233 3.141 -1.199 1.00 0.33 H new ATOM 0 HG2 ARG A 75 13.339 4.091 1.596 1.00 0.54 H new ATOM 0 HG3 ARG A 75 14.883 4.159 0.769 1.00 0.54 H new ATOM 0 HD2 ARG A 75 13.318 5.183 -1.190 1.00 0.99 H new ATOM 0 HD3 ARG A 75 12.347 5.642 0.194 1.00 0.99 H new ATOM 0 HE ARG A 75 13.876 7.316 0.630 1.00 1.50 H new ATOM 0 HH11 ARG A 75 15.475 4.692 -1.106 1.00 2.32 H new ATOM 0 HH12 ARG A 75 17.025 5.536 -1.192 1.00 2.32 H new ATOM 0 HH21 ARG A 75 15.872 8.395 0.518 1.00 2.25 H new ATOM 0 HH22 ARG A 75 17.248 7.623 -0.276 1.00 2.25 H new ATOM 1258 N TRP A 76 10.276 3.505 0.724 1.00 0.41 N ATOM 1259 CA TRP A 76 9.023 4.145 0.339 1.00 0.48 C ATOM 1260 C TRP A 76 9.221 5.634 0.087 1.00 0.38 C ATOM 1261 O TRP A 76 10.065 6.274 0.713 1.00 0.49 O ATOM 1262 CB TRP A 76 7.967 3.943 1.426 1.00 0.72 C ATOM 1263 CG TRP A 76 7.500 2.526 1.549 1.00 0.63 C ATOM 1264 CD1 TRP A 76 8.253 1.440 1.894 1.00 0.97 C ATOM 1265 CD2 TRP A 76 6.172 2.042 1.330 1.00 0.89 C ATOM 1266 NE1 TRP A 76 7.472 0.309 1.901 1.00 1.28 N ATOM 1267 CE2 TRP A 76 6.191 0.653 1.557 1.00 1.28 C ATOM 1268 CE3 TRP A 76 4.968 2.648 0.960 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 5.051 -0.137 1.428 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.839 1.863 0.833 1.00 1.71 C ATOM 1271 CH2 TRP A 76 3.887 0.484 1.066 1.00 1.95 C ATOM 0 H TRP A 76 10.577 3.706 1.678 1.00 0.41 H new ATOM 0 HA TRP A 76 8.682 3.680 -0.586 1.00 0.48 H new ATOM 0 HB2 TRP A 76 8.376 4.267 2.383 1.00 0.72 H new ATOM 0 HB3 TRP A 76 7.110 4.582 1.213 1.00 0.72 H new ATOM 0 HD1 TRP A 76 9.307 1.466 2.127 1.00 0.97 H new ATOM 0 HE1 TRP A 76 7.793 -0.633 2.126 1.00 1.28 H new ATOM 0 HE3 TRP A 76 4.922 3.711 0.777 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 5.085 -1.201 1.607 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.903 2.321 0.549 1.00 1.71 H new ATOM 0 HH2 TRP A 76 2.986 -0.102 0.958 1.00 1.95 H new ATOM 1282 N LYS A 77 8.425 6.180 -0.826 1.00 0.35 N ATOM 1283 CA LYS A 77 8.510 7.594 -1.164 1.00 0.32 C ATOM 1284 C LYS A 77 7.149 8.132 -1.591 1.00 0.28 C ATOM 1285 O LYS A 77 6.539 7.630 -2.535 1.00 0.37 O ATOM 1286 CB LYS A 77 9.537 7.818 -2.278 1.00 0.42 C ATOM 1287 CG LYS A 77 9.627 6.673 -3.275 1.00 0.62 C ATOM 1288 CD LYS A 77 10.946 6.696 -4.031 1.00 0.67 C ATOM 1289 CE LYS A 77 10.993 5.629 -5.113 1.00 0.84 C ATOM 1290 NZ LYS A 77 11.550 6.155 -6.390 1.00 1.58 N ATOM 0 H LYS A 77 7.714 5.664 -1.345 1.00 0.35 H new ATOM 0 HA LYS A 77 8.832 8.135 -0.274 1.00 0.32 H new ATOM 0 HB2 LYS A 77 9.284 8.733 -2.813 1.00 0.42 H new ATOM 0 HB3 LYS A 77 10.518 7.973 -1.828 1.00 0.42 H new ATOM 0 HG2 LYS A 77 9.523 5.723 -2.750 1.00 0.62 H new ATOM 0 HG3 LYS A 77 8.800 6.739 -3.982 1.00 0.62 H new ATOM 0 HD2 LYS A 77 11.090 7.678 -4.482 1.00 0.67 H new ATOM 0 HD3 LYS A 77 11.769 6.542 -3.332 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.600 4.791 -4.770 1.00 0.84 H new ATOM 0 HE3 LYS A 77 9.988 5.244 -5.287 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 11.565 5.396 -7.101 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 10.956 6.938 -6.731 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 12.518 6.499 -6.231 1.00 1.58 H new ATOM 1304 N VAL A 78 6.673 9.151 -0.883 1.00 0.28 N ATOM 1305 CA VAL A 78 5.378 9.750 -1.180 1.00 0.27 C ATOM 1306 C VAL A 78 5.543 11.074 -1.922 1.00 0.25 C ATOM 1307 O VAL A 78 6.260 11.967 -1.469 1.00 0.35 O ATOM 1308 CB VAL A 78 4.563 9.983 0.109 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.197 10.573 -0.211 1.00 0.91 C ATOM 1310 CG2 VAL A 78 4.420 8.684 0.888 1.00 0.58 C ATOM 0 H VAL A 78 7.165 9.579 -0.099 1.00 0.28 H new ATOM 0 HA VAL A 78 4.838 9.050 -1.818 1.00 0.27 H new ATOM 0 HB VAL A 78 5.101 10.700 0.729 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.642 10.728 0.714 1.00 0.91 H new ATOM 0 HG12 VAL A 78 3.324 11.527 -0.722 1.00 0.91 H new ATOM 0 HG13 VAL A 78 2.646 9.887 -0.854 1.00 0.91 H new ATOM 0 HG21 VAL A 78 3.843 8.865 1.795 1.00 0.58 H new ATOM 0 HG22 VAL A 78 3.907 7.945 0.272 1.00 0.58 H new ATOM 0 HG23 VAL A 78 5.408 8.310 1.156 1.00 0.58 H new ATOM 1320 N LEU A 79 4.878 11.188 -3.067 1.00 0.21 N ATOM 1321 CA LEU A 79 4.953 12.396 -3.880 1.00 0.21 C ATOM 1322 C LEU A 79 3.838 13.366 -3.509 1.00 0.21 C ATOM 1323 O LEU A 79 4.015 14.584 -3.561 1.00 0.39 O ATOM 1324 CB LEU A 79 4.861 12.039 -5.366 1.00 0.24 C ATOM 1325 CG LEU A 79 5.969 11.118 -5.886 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.902 9.756 -5.212 1.00 0.51 C ATOM 1327 CD2 LEU A 79 5.867 10.967 -7.395 1.00 0.38 C ATOM 0 H LEU A 79 4.280 10.457 -3.453 1.00 0.21 H new ATOM 0 HA LEU A 79 5.911 12.879 -3.687 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.898 11.562 -5.550 1.00 0.24 H new ATOM 0 HB3 LEU A 79 4.875 12.962 -5.946 1.00 0.24 H new ATOM 0 HG LEU A 79 6.930 11.571 -5.644 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.699 9.120 -5.598 1.00 0.51 H new ATOM 0 HD12 LEU A 79 6.023 9.876 -4.135 1.00 0.51 H new ATOM 0 HD13 LEU A 79 4.937 9.295 -5.419 1.00 0.51 H new ATOM 0 HD21 LEU A 79 6.661 10.310 -7.749 1.00 0.38 H new ATOM 0 HD22 LEU A 79 4.899 10.538 -7.653 1.00 0.38 H new ATOM 0 HD23 LEU A 79 5.968 11.945 -7.866 1.00 0.38 H new ATOM 1339 N GLU A 80 2.688 12.815 -3.137 1.00 0.18 N ATOM 1340 CA GLU A 80 1.539 13.617 -2.734 1.00 0.18 C ATOM 1341 C GLU A 80 0.892 13.017 -1.492 1.00 0.16 C ATOM 1342 O GLU A 80 0.910 11.801 -1.308 1.00 0.19 O ATOM 1343 CB GLU A 80 0.517 13.693 -3.870 1.00 0.24 C ATOM 1344 CG GLU A 80 0.906 14.662 -4.975 1.00 0.93 C ATOM 1345 CD GLU A 80 0.319 16.046 -4.773 1.00 1.67 C ATOM 1346 OE1 GLU A 80 0.706 16.717 -3.794 1.00 2.24 O ATOM 1347 OE2 GLU A 80 -0.529 16.456 -5.592 1.00 2.16 O ATOM 0 H GLU A 80 2.526 11.808 -3.106 1.00 0.18 H new ATOM 0 HA GLU A 80 1.883 14.626 -2.504 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.388 12.699 -4.299 1.00 0.24 H new ATOM 0 HB3 GLU A 80 -0.448 13.991 -3.460 1.00 0.24 H new ATOM 0 HG2 GLU A 80 1.992 14.736 -5.022 1.00 0.93 H new ATOM 0 HG3 GLU A 80 0.572 14.266 -5.934 1.00 0.93 H new ATOM 1354 N PRO A 81 0.351 13.868 -0.594 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.301 13.418 0.642 1.00 0.22 C ATOM 1356 C PRO A 81 -1.046 12.104 0.448 1.00 0.20 C ATOM 1357 O PRO A 81 -1.931 11.997 -0.399 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.252 14.568 0.940 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.495 15.770 0.483 1.00 0.33 C ATOM 1360 CD PRO A 81 0.287 15.335 -0.733 1.00 0.28 C ATOM 0 HA PRO A 81 0.400 13.210 1.451 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.195 14.459 0.404 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.494 14.625 2.001 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.173 16.588 0.238 1.00 0.33 H new ATOM 0 HG3 PRO A 81 0.171 16.132 1.266 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.211 15.629 -1.657 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.282 15.780 -0.751 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.619 11.088 1.186 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.147 9.746 1.009 1.00 0.19 C ATOM 1370 C VAL A 82 -2.142 9.362 2.111 1.00 0.18 C ATOM 1371 O VAL A 82 -1.896 9.578 3.298 1.00 0.24 O ATOM 1372 CB VAL A 82 0.033 8.726 0.908 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.143 7.793 2.115 1.00 0.31 C ATOM 1374 CG2 VAL A 82 -0.070 7.928 -0.381 1.00 0.34 C ATOM 0 H VAL A 82 0.092 11.170 1.913 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.711 9.721 0.077 1.00 0.19 H new ATOM 0 HB VAL A 82 0.950 9.315 0.901 1.00 0.24 H new ATOM 0 HG11 VAL A 82 0.984 7.114 1.974 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.300 8.383 3.018 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.777 7.216 2.214 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.758 7.221 -0.439 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -1.014 7.383 -0.397 1.00 0.34 H new ATOM 0 HG23 VAL A 82 -0.028 8.606 -1.233 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.249 8.758 1.693 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.269 8.275 2.615 1.00 0.17 C ATOM 1386 C ARG A 83 -4.728 6.888 2.181 1.00 0.22 C ATOM 1387 O ARG A 83 -5.349 6.735 1.129 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.459 9.236 2.654 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.577 10.005 3.960 1.00 0.62 C ATOM 1390 CD ARG A 83 -6.772 9.540 4.775 1.00 0.92 C ATOM 1391 NE ARG A 83 -7.996 10.243 4.402 1.00 1.25 N ATOM 1392 CZ ARG A 83 -8.308 11.458 4.839 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -7.491 12.100 5.662 1.00 2.02 N ATOM 1394 NH2 ARG A 83 -9.439 12.034 4.453 1.00 2.42 N ATOM 0 H ARG A 83 -3.464 8.590 0.710 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.843 8.219 3.617 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.370 9.945 1.831 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.377 8.671 2.490 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -4.665 9.876 4.543 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.672 11.070 3.749 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -6.912 8.468 4.634 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -6.572 9.698 5.835 1.00 0.92 H new ATOM 0 HE ARG A 83 -8.647 9.776 3.771 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -6.620 11.661 5.961 1.00 2.02 H new ATOM 0 HH12 ARG A 83 -7.733 13.033 5.996 1.00 2.02 H new ATOM 0 HH21 ARG A 83 -10.071 11.544 3.820 1.00 2.42 H new ATOM 0 HH22 ARG A 83 -9.677 12.967 4.790 1.00 2.42 H new ATOM 1408 N LYS A 84 -4.387 5.873 2.968 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.711 4.501 2.604 1.00 0.37 C ATOM 1410 C LYS A 84 -5.364 3.740 3.754 1.00 0.27 C ATOM 1411 O LYS A 84 -5.187 4.078 4.925 1.00 0.23 O ATOM 1412 CB LYS A 84 -3.445 3.769 2.131 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.604 3.170 3.250 1.00 0.47 C ATOM 1414 CD LYS A 84 -1.118 3.250 2.941 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.795 2.628 1.593 1.00 1.17 C ATOM 1416 NZ LYS A 84 0.653 2.305 1.462 1.00 1.63 N ATOM 0 H LYS A 84 -3.891 5.974 3.854 1.00 0.28 H new ATOM 0 HA LYS A 84 -5.434 4.539 1.790 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -3.736 2.972 1.447 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.828 4.466 1.564 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -2.811 3.696 4.182 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -2.889 2.129 3.402 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.800 4.292 2.947 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -0.555 2.740 3.723 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -1.383 1.719 1.463 1.00 1.17 H new ATOM 0 HE3 LYS A 84 -1.087 3.314 0.798 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 0.829 1.867 0.535 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 1.212 3.178 1.544 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 0.931 1.644 2.215 1.00 1.63 H new ATOM 1430 N HIS A 85 -6.095 2.689 3.402 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.730 1.828 4.386 1.00 0.22 C ATOM 1432 C HIS A 85 -5.857 0.600 4.611 1.00 0.22 C ATOM 1433 O HIS A 85 -4.938 0.340 3.836 1.00 0.27 O ATOM 1434 CB HIS A 85 -8.129 1.422 3.922 1.00 0.28 C ATOM 1435 CG HIS A 85 -9.042 2.589 3.711 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -10.322 2.650 4.219 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.844 3.756 3.055 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.877 3.799 3.874 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.999 4.488 3.169 1.00 0.48 N ATOM 0 H HIS A 85 -6.262 2.413 2.434 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.837 2.369 5.326 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -8.047 0.860 2.992 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.570 0.753 4.661 1.00 0.28 H new ATOM 0 HD1 HIS A 85 -10.771 1.922 4.775 1.00 0.41 H new ATOM 0 HD2 HIS A 85 -7.944 4.055 2.538 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.877 4.119 4.126 1.00 0.50 H new ATOM 1448 N TYR A 86 -6.101 -0.121 5.695 1.00 0.22 N ATOM 1449 CA TYR A 86 -5.248 -1.249 6.044 1.00 0.26 C ATOM 1450 C TYR A 86 -5.995 -2.571 6.064 1.00 0.26 C ATOM 1451 O TYR A 86 -7.220 -2.619 6.167 1.00 0.30 O ATOM 1452 CB TYR A 86 -4.620 -1.019 7.416 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.554 0.044 7.430 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -2.639 0.152 6.393 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.461 0.939 8.485 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -1.661 1.124 6.407 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.487 1.915 8.507 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.588 2.005 7.465 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.613 2.976 7.483 1.00 0.57 O ATOM 0 H TYR A 86 -6.872 0.051 6.341 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.482 -1.312 5.271 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.404 -0.743 8.121 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -4.189 -1.956 7.769 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -2.693 -0.536 5.562 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -4.163 0.871 9.303 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -0.955 1.195 5.593 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.429 2.605 9.336 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.767 3.581 8.239 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.223 -3.647 5.984 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.758 -4.999 6.023 1.00 0.27 C ATOM 1471 C ASN A 87 -4.670 -5.971 6.466 1.00 0.32 C ATOM 1472 O ASN A 87 -4.373 -6.948 5.779 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.302 -5.398 4.649 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.698 -5.984 4.727 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -8.624 -5.346 5.227 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.855 -7.206 4.230 1.00 1.00 N ATOM 0 H ASN A 87 -4.208 -3.606 5.890 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.579 -5.034 6.740 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.314 -4.524 3.998 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.631 -6.126 4.193 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -8.772 -7.652 4.254 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -7.059 -7.698 3.825 1.00 1.00 H new ATOM 1483 N LEU A 88 -4.064 -5.679 7.614 1.00 0.36 N ATOM 1484 CA LEU A 88 -2.983 -6.503 8.141 1.00 0.43 C ATOM 1485 C LEU A 88 -3.531 -7.670 8.956 1.00 0.49 C ATOM 1486 O LEU A 88 -4.567 -7.553 9.609 1.00 0.52 O ATOM 1487 CB LEU A 88 -2.040 -5.662 9.008 1.00 0.53 C ATOM 1488 CG LEU A 88 -1.971 -4.171 8.657 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -0.990 -3.456 9.572 1.00 1.56 C ATOM 1490 CD2 LEU A 88 -1.576 -3.987 7.202 1.00 1.21 C ATOM 0 H LEU A 88 -4.304 -4.877 8.197 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.426 -6.903 7.294 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -2.350 -5.758 10.049 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.037 -6.081 8.934 1.00 0.53 H new ATOM 0 HG LEU A 88 -2.959 -3.734 8.803 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -0.952 -2.399 9.310 1.00 1.56 H new ATOM 0 HD12 LEU A 88 -1.314 -3.562 10.607 1.00 1.56 H new ATOM 0 HD13 LEU A 88 0.001 -3.894 9.456 1.00 1.56 H new ATOM 0 HD21 LEU A 88 -1.532 -2.923 6.969 1.00 1.21 H new ATOM 0 HD22 LEU A 88 -0.598 -4.437 7.031 1.00 1.21 H new ATOM 0 HD23 LEU A 88 -2.314 -4.468 6.561 1.00 1.21 H new ATOM 1502 N PHE A 89 -2.827 -8.796 8.905 1.00 0.57 N ATOM 1503 CA PHE A 89 -3.244 -9.993 9.624 1.00 0.67 C ATOM 1504 C PHE A 89 -2.253 -10.339 10.730 1.00 1.02 C ATOM 1505 O PHE A 89 -2.568 -10.076 11.910 1.00 1.77 O ATOM 1506 CB PHE A 89 -3.378 -11.170 8.655 1.00 1.01 C ATOM 1507 CG PHE A 89 -3.902 -10.777 7.302 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -4.937 -9.863 7.187 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.354 -11.312 6.148 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -5.420 -9.495 5.946 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -3.833 -10.949 4.903 1.00 1.03 C ATOM 1512 CZ PHE A 89 -4.868 -10.039 4.803 1.00 0.93 C ATOM 1513 OXT PHE A 89 -1.170 -10.870 10.407 1.00 1.45 O ATOM 0 H PHE A 89 -1.964 -8.904 8.372 1.00 0.57 H new ATOM 0 HA PHE A 89 -4.213 -9.794 10.082 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -2.404 -11.644 8.535 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -4.043 -11.915 9.091 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -5.371 -9.433 8.078 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -2.543 -12.021 6.222 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -6.228 -8.783 5.870 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.399 -11.376 4.011 1.00 1.03 H new ATOM 0 HZ PHE A 89 -5.245 -9.753 3.832 1.00 0.93 H new