USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 25 ASN : amide:sc= 0.811 K(o=2.1,f=-5.7) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 174:sc= 1.25 (180deg=0.369) USER MOD Single : A 1 MET CE :methyl 135:sc= -0.422 (180deg=-2.15!) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.41 (180deg=1.9) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -112:sc= 0.347 USER MOD Single : A 9 THR OG1 : rot 39:sc= 0.689 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.09) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.7 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.803 K(o=-0.8,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.13 K(o=-0.13,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -58:sc= 1.38 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0723 USER MOD Single : A 60 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.039 -3.921 -3.638 1.00 0.78 N ATOM 2 CA MET A 1 12.722 -4.061 -2.200 1.00 0.70 C ATOM 3 C MET A 1 11.415 -4.756 -2.040 1.00 0.62 C ATOM 4 O MET A 1 10.450 -4.292 -2.645 1.00 0.68 O ATOM 5 CB MET A 1 12.870 -2.651 -1.603 1.00 0.75 C ATOM 6 CG MET A 1 12.705 -2.560 -0.084 1.00 0.79 C ATOM 7 SD MET A 1 12.523 -0.827 0.435 1.00 1.10 S ATOM 8 CE MET A 1 10.843 -0.680 -0.240 1.00 0.84 C ATOM 0 H1 MET A 1 14.064 -3.792 -3.757 1.00 0.78 H new ATOM 0 H2 MET A 1 12.737 -4.777 -4.145 1.00 0.78 H new ATOM 0 H3 MET A 1 12.539 -3.095 -4.025 1.00 0.78 H new ATOM 0 HA MET A 1 13.395 -4.706 -1.635 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.854 -2.264 -1.868 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.134 -1.998 -2.071 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.831 -3.133 0.228 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.570 -3.004 0.409 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.202 -0.180 0.486 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.871 -0.098 -1.161 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.447 -1.674 -0.450 1.00 0.84 H new ATOM 20 N GLN A 2 11.323 -5.863 -1.281 1.00 0.59 N ATOM 21 CA GLN A 2 10.104 -6.590 -1.110 1.00 0.56 C ATOM 22 C GLN A 2 9.245 -6.110 0.009 1.00 0.50 C ATOM 23 O GLN A 2 9.689 -5.910 1.138 1.00 0.60 O ATOM 24 CB GLN A 2 10.443 -8.055 -0.790 1.00 0.71 C ATOM 25 CG GLN A 2 9.246 -9.002 -0.693 1.00 1.15 C ATOM 26 CD GLN A 2 9.728 -10.411 -0.380 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.779 -10.890 0.751 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.132 -11.159 -1.442 1.00 1.72 N ATOM 0 H GLN A 2 12.114 -6.262 -0.775 1.00 0.59 H new ATOM 0 HA GLN A 2 9.553 -6.454 -2.041 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.119 -8.429 -1.559 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.986 -8.086 0.155 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.562 -8.660 0.084 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.690 -8.998 -1.631 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.093 -10.770 -2.384 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.474 -12.109 -1.296 1.00 1.72 H new ATOM 37 N ILE A 3 7.931 -5.927 -0.207 1.00 0.44 N ATOM 38 CA ILE A 3 6.999 -5.581 0.822 1.00 0.42 C ATOM 39 C ILE A 3 5.741 -6.354 0.628 1.00 0.40 C ATOM 40 O ILE A 3 5.472 -6.976 -0.398 1.00 0.50 O ATOM 41 CB ILE A 3 6.745 -4.103 0.862 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.162 -3.644 -0.484 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.966 -3.327 1.386 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.850 -2.863 -0.423 1.00 0.72 C ATOM 0 H ILE A 3 7.502 -6.023 -1.128 1.00 0.44 H new ATOM 0 HA ILE A 3 7.426 -5.845 1.790 1.00 0.42 H new ATOM 0 HB ILE A 3 5.979 -3.864 1.600 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.906 -3.025 -0.985 1.00 0.55 H new ATOM 0 HG13 ILE A 3 6.007 -4.524 -1.108 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.741 -2.261 1.399 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.203 -3.661 2.396 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.820 -3.509 0.734 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.539 -2.594 -1.433 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.081 -3.480 0.042 1.00 0.72 H new ATOM 0 HD13 ILE A 3 4.993 -1.957 0.166 1.00 0.72 H new ATOM 56 N PHE A 4 4.898 -6.388 1.676 1.00 0.37 N ATOM 57 CA PHE A 4 3.659 -7.098 1.763 1.00 0.38 C ATOM 58 C PHE A 4 2.511 -6.153 1.842 1.00 0.39 C ATOM 59 O PHE A 4 2.685 -5.073 2.403 1.00 0.60 O ATOM 60 CB PHE A 4 3.637 -7.963 3.033 1.00 0.45 C ATOM 61 CG PHE A 4 4.792 -8.887 3.210 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.065 -9.895 2.314 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.601 -8.753 4.313 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.216 -10.644 2.387 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.744 -9.512 4.402 1.00 1.40 C ATOM 66 CZ PHE A 4 7.078 -10.432 3.436 1.00 0.85 C ATOM 0 H PHE A 4 5.102 -5.875 2.534 1.00 0.37 H new ATOM 0 HA PHE A 4 3.571 -7.717 0.870 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.589 -7.302 3.899 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.721 -8.554 3.031 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.353 -10.104 1.529 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.342 -8.060 5.100 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.438 -11.385 1.634 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.397 -9.382 5.253 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.006 -10.981 3.501 1.00 0.85 H new ATOM 76 N VAL A 5 1.337 -6.494 1.278 1.00 0.35 N ATOM 77 CA VAL A 5 0.142 -5.716 1.377 1.00 0.35 C ATOM 78 C VAL A 5 -0.909 -6.645 1.878 1.00 0.35 C ATOM 79 O VAL A 5 -1.344 -7.572 1.196 1.00 0.46 O ATOM 80 CB VAL A 5 -0.193 -4.949 0.133 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.486 -4.115 0.097 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.002 -4.119 -0.366 1.00 0.56 C ATOM 0 H VAL A 5 1.217 -7.347 0.731 1.00 0.35 H new ATOM 0 HA VAL A 5 0.259 -4.893 2.082 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.422 -5.763 -0.555 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.576 -3.625 -0.873 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.345 -4.768 0.255 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.454 -3.360 0.883 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.718 -3.578 -1.269 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.298 -3.408 0.405 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.838 -4.782 -0.588 1.00 0.56 H new ATOM 92 N LYS A 6 -1.268 -6.489 3.165 1.00 0.36 N ATOM 93 CA LYS A 6 -2.299 -7.100 3.944 1.00 0.39 C ATOM 94 C LYS A 6 -3.644 -6.471 3.825 1.00 0.46 C ATOM 95 O LYS A 6 -3.809 -5.288 4.121 1.00 0.53 O ATOM 96 CB LYS A 6 -1.898 -7.120 5.429 1.00 0.54 C ATOM 97 CG LYS A 6 -2.816 -7.872 6.395 1.00 1.22 C ATOM 98 CD LYS A 6 -2.117 -7.983 7.752 1.00 1.37 C ATOM 99 CE LYS A 6 -2.931 -8.563 8.910 1.00 1.93 C ATOM 100 NZ LYS A 6 -3.155 -10.013 8.719 1.00 2.09 N ATOM 0 H LYS A 6 -0.748 -5.829 3.743 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.394 -8.106 3.535 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.901 -7.555 5.503 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.821 -6.088 5.771 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.765 -7.346 6.501 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.043 -8.864 6.005 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.226 -8.597 7.624 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.779 -6.988 8.041 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.407 -8.392 9.850 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.889 -8.048 8.981 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.709 -10.387 9.516 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -3.675 -10.170 7.832 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.239 -10.503 8.675 1.00 2.09 H new ATOM 114 N THR A 7 -4.633 -7.268 3.385 1.00 0.58 N ATOM 115 CA THR A 7 -5.962 -6.831 3.089 1.00 0.78 C ATOM 116 C THR A 7 -6.980 -7.198 4.113 1.00 0.94 C ATOM 117 O THR A 7 -6.842 -6.757 5.252 1.00 0.99 O ATOM 118 CB THR A 7 -6.289 -7.267 1.691 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.221 -8.680 1.577 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.243 -6.772 0.677 1.00 0.92 C ATOM 0 H THR A 7 -4.499 -8.267 3.228 1.00 0.58 H new ATOM 0 HA THR A 7 -5.998 -5.743 3.137 1.00 0.78 H new ATOM 0 HB THR A 7 -7.282 -6.865 1.489 1.00 0.90 H new ATOM 0 HG1 THR A 7 -5.461 -8.926 1.009 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.517 -7.109 -0.323 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.206 -5.683 0.695 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.264 -7.173 0.939 1.00 0.92 H new ATOM 128 N LEU A 8 -8.038 -7.936 3.732 1.00 1.17 N ATOM 129 CA LEU A 8 -8.966 -8.426 4.704 1.00 1.39 C ATOM 130 C LEU A 8 -9.642 -9.550 3.996 1.00 1.44 C ATOM 131 O LEU A 8 -9.436 -10.696 4.392 1.00 1.60 O ATOM 132 CB LEU A 8 -9.961 -7.384 5.242 1.00 1.66 C ATOM 133 CG LEU A 8 -10.996 -8.051 6.163 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.333 -8.461 7.489 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.105 -7.008 6.388 1.00 2.43 C ATOM 0 H LEU A 8 -8.249 -8.191 2.767 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.453 -8.728 5.617 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.424 -6.609 5.790 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.468 -6.894 4.411 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.408 -8.959 5.723 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.073 -8.933 8.135 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.525 -9.165 7.289 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.931 -7.577 7.983 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.873 -7.428 7.038 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.680 -6.120 6.855 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.549 -6.737 5.430 1.00 2.43 H new ATOM 147 N THR A 9 -10.382 -9.316 2.897 1.00 1.41 N ATOM 148 CA THR A 9 -11.072 -10.370 2.220 1.00 1.51 C ATOM 149 C THR A 9 -10.298 -10.882 1.054 1.00 1.37 C ATOM 150 O THR A 9 -10.328 -10.251 -0.001 1.00 1.62 O ATOM 151 CB THR A 9 -12.489 -10.056 1.843 1.00 1.65 C ATOM 152 OG1 THR A 9 -12.547 -8.969 0.932 1.00 1.89 O ATOM 153 CG2 THR A 9 -13.310 -9.773 3.113 1.00 2.08 C ATOM 0 H THR A 9 -10.503 -8.395 2.477 1.00 1.41 H new ATOM 0 HA THR A 9 -11.147 -11.166 2.960 1.00 1.51 H new ATOM 0 HB THR A 9 -12.921 -10.919 1.336 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.803 -9.034 0.298 1.00 1.89 H new ATOM 0 HG21 THR A 9 -14.340 -9.545 2.837 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.293 -10.650 3.760 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.880 -8.923 3.643 1.00 2.08 H new ATOM 161 N GLY A 10 -9.519 -11.950 1.307 1.00 1.18 N ATOM 162 CA GLY A 10 -8.717 -12.689 0.383 1.00 1.22 C ATOM 163 C GLY A 10 -7.328 -12.839 0.904 1.00 0.99 C ATOM 164 O GLY A 10 -7.114 -12.957 2.108 1.00 1.31 O ATOM 0 H GLY A 10 -9.446 -12.330 2.251 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -9.157 -13.672 0.215 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.698 -12.179 -0.580 1.00 1.22 H new ATOM 168 N LYS A 11 -6.341 -12.859 -0.009 1.00 0.73 N ATOM 169 CA LYS A 11 -4.979 -13.105 0.349 1.00 0.60 C ATOM 170 C LYS A 11 -4.242 -11.847 0.652 1.00 0.51 C ATOM 171 O LYS A 11 -4.680 -10.736 0.357 1.00 0.63 O ATOM 172 CB LYS A 11 -4.306 -13.855 -0.814 1.00 0.75 C ATOM 173 CG LYS A 11 -4.199 -13.049 -2.111 1.00 0.87 C ATOM 174 CD LYS A 11 -3.272 -13.669 -3.159 1.00 1.04 C ATOM 175 CE LYS A 11 -3.735 -13.645 -4.616 1.00 1.30 C ATOM 176 NZ LYS A 11 -3.399 -12.357 -5.263 1.00 1.40 N ATOM 0 H LYS A 11 -6.489 -12.703 -1.006 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.956 -13.705 1.259 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -3.305 -14.156 -0.505 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.867 -14.768 -1.014 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.195 -12.940 -2.541 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.843 -12.046 -1.874 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -2.312 -13.157 -3.103 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -3.096 -14.708 -2.879 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.266 -14.463 -5.163 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.812 -13.808 -4.661 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.855 -12.308 -6.196 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -3.737 -11.572 -4.670 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -2.368 -12.285 -5.378 1.00 1.40 H new ATOM 190 N THR A 12 -3.035 -11.983 1.229 1.00 0.49 N ATOM 191 CA THR A 12 -2.092 -10.953 1.543 1.00 0.48 C ATOM 192 C THR A 12 -1.131 -11.154 0.423 1.00 0.52 C ATOM 193 O THR A 12 -0.578 -12.247 0.318 1.00 0.72 O ATOM 194 CB THR A 12 -1.470 -11.208 2.884 1.00 0.64 C ATOM 195 OG1 THR A 12 -2.493 -11.027 3.851 1.00 0.77 O ATOM 196 CG2 THR A 12 -0.273 -10.274 3.134 1.00 0.78 C ATOM 0 H THR A 12 -2.688 -12.903 1.501 1.00 0.49 H new ATOM 0 HA THR A 12 -2.488 -9.940 1.619 1.00 0.48 H new ATOM 0 HB THR A 12 -1.070 -12.220 2.940 1.00 0.64 H new ATOM 0 HG1 THR A 12 -2.128 -11.186 4.747 1.00 0.77 H new ATOM 0 HG21 THR A 12 0.155 -10.485 4.114 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.483 -10.437 2.366 1.00 0.78 H new ATOM 0 HG23 THR A 12 -0.607 -9.237 3.099 1.00 0.78 H new ATOM 204 N ILE A 13 -0.976 -10.147 -0.456 1.00 0.48 N ATOM 205 CA ILE A 13 -0.096 -10.086 -1.582 1.00 0.55 C ATOM 206 C ILE A 13 1.278 -9.645 -1.211 1.00 0.51 C ATOM 207 O ILE A 13 1.466 -8.974 -0.199 1.00 0.56 O ATOM 208 CB ILE A 13 -0.570 -9.366 -2.809 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.007 -7.898 -2.683 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.701 -10.220 -3.405 1.00 1.13 C ATOM 211 CD1 ILE A 13 -0.957 -7.178 -4.029 1.00 1.55 C ATOM 0 H ILE A 13 -1.523 -9.291 -0.366 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.083 -11.131 -1.892 1.00 0.55 H new ATOM 0 HB ILE A 13 0.307 -9.266 -3.448 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.020 -7.853 -2.283 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.360 -7.385 -1.971 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.084 -9.739 -4.305 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.317 -11.208 -3.657 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.505 -10.319 -2.676 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -1.273 -6.143 -3.900 1.00 1.55 H new ATOM 0 HD12 ILE A 13 0.062 -7.201 -4.416 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -1.624 -7.676 -4.733 1.00 1.55 H new ATOM 223 N THR A 14 2.337 -10.040 -1.941 1.00 0.55 N ATOM 224 CA THR A 14 3.709 -9.672 -1.784 1.00 0.54 C ATOM 225 C THR A 14 4.092 -8.948 -3.029 1.00 0.55 C ATOM 226 O THR A 14 3.851 -9.381 -4.156 1.00 0.72 O ATOM 227 CB THR A 14 4.652 -10.830 -1.645 1.00 0.67 C ATOM 228 OG1 THR A 14 4.107 -11.677 -0.643 1.00 1.08 O ATOM 229 CG2 THR A 14 6.020 -10.342 -1.137 1.00 1.03 C ATOM 0 H THR A 14 2.215 -10.685 -2.722 1.00 0.55 H new ATOM 0 HA THR A 14 3.789 -9.087 -0.867 1.00 0.54 H new ATOM 0 HB THR A 14 4.777 -11.332 -2.604 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.692 -12.453 -0.517 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.696 -11.191 -1.040 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.437 -9.626 -1.845 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.898 -9.863 -0.166 1.00 1.03 H new ATOM 237 N LEU A 15 4.682 -7.745 -2.919 1.00 0.50 N ATOM 238 CA LEU A 15 5.063 -7.039 -4.103 1.00 0.55 C ATOM 239 C LEU A 15 6.527 -6.774 -4.043 1.00 0.52 C ATOM 240 O LEU A 15 7.148 -6.644 -2.989 1.00 0.58 O ATOM 241 CB LEU A 15 4.410 -5.651 -4.225 1.00 0.69 C ATOM 242 CG LEU A 15 2.892 -5.834 -4.391 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.265 -4.489 -3.985 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.523 -6.095 -5.861 1.00 1.55 C ATOM 0 H LEU A 15 4.891 -7.272 -2.040 1.00 0.50 H new ATOM 0 HA LEU A 15 4.752 -7.662 -4.941 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.624 -5.053 -3.339 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.822 -5.113 -5.079 1.00 0.69 H new ATOM 0 HG LEU A 15 2.545 -6.677 -3.793 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.181 -4.549 -4.080 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.527 -4.263 -2.951 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.643 -3.700 -4.636 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.444 -6.221 -5.948 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.841 -5.250 -6.471 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.023 -7.000 -6.206 1.00 1.55 H new ATOM 256 N GLU A 16 7.164 -6.554 -5.207 1.00 0.59 N ATOM 257 CA GLU A 16 8.514 -6.107 -5.354 1.00 0.63 C ATOM 258 C GLU A 16 8.404 -4.695 -5.817 1.00 0.65 C ATOM 259 O GLU A 16 7.798 -4.428 -6.853 1.00 0.81 O ATOM 260 CB GLU A 16 9.196 -6.993 -6.411 1.00 0.76 C ATOM 261 CG GLU A 16 10.665 -6.637 -6.649 1.00 1.41 C ATOM 262 CD GLU A 16 11.562 -6.736 -5.424 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.563 -7.736 -4.657 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.399 -5.806 -5.279 1.00 1.95 O ATOM 0 H GLU A 16 6.704 -6.699 -6.106 1.00 0.59 H new ATOM 0 HA GLU A 16 9.102 -6.167 -4.438 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.129 -8.035 -6.098 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.652 -6.907 -7.352 1.00 0.76 H new ATOM 0 HG2 GLU A 16 11.061 -7.294 -7.423 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.718 -5.620 -7.037 1.00 1.41 H new ATOM 271 N VAL A 17 8.965 -3.735 -5.060 1.00 0.61 N ATOM 272 CA VAL A 17 8.873 -2.329 -5.302 1.00 0.63 C ATOM 273 C VAL A 17 10.229 -1.715 -5.233 1.00 0.65 C ATOM 274 O VAL A 17 11.194 -2.391 -4.878 1.00 0.76 O ATOM 275 CB VAL A 17 7.974 -1.645 -4.314 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.620 -2.372 -4.240 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.632 -1.671 -2.924 1.00 0.92 C ATOM 0 H VAL A 17 9.515 -3.954 -4.230 1.00 0.61 H new ATOM 0 HA VAL A 17 8.446 -2.197 -6.296 1.00 0.63 H new ATOM 0 HB VAL A 17 7.814 -0.615 -4.634 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.975 -1.868 -3.520 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.147 -2.360 -5.222 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.778 -3.404 -3.925 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.981 -1.175 -2.204 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.792 -2.704 -2.616 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.590 -1.152 -2.965 1.00 0.92 H new ATOM 287 N GLU A 18 10.366 -0.424 -5.584 1.00 0.68 N ATOM 288 CA GLU A 18 11.552 0.296 -5.237 1.00 0.74 C ATOM 289 C GLU A 18 11.259 1.367 -4.243 1.00 0.71 C ATOM 290 O GLU A 18 10.106 1.794 -4.226 1.00 0.74 O ATOM 291 CB GLU A 18 12.350 0.942 -6.382 1.00 0.88 C ATOM 292 CG GLU A 18 12.908 -0.199 -7.234 1.00 1.16 C ATOM 293 CD GLU A 18 14.427 -0.214 -7.323 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.953 0.804 -7.850 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.034 -1.245 -6.930 1.00 2.33 O ATOM 0 H GLU A 18 9.669 0.114 -6.099 1.00 0.68 H new ATOM 0 HA GLU A 18 12.185 -0.497 -4.838 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.711 1.593 -6.979 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.157 1.561 -5.989 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.568 -1.148 -6.820 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.495 -0.124 -8.240 1.00 1.16 H new ATOM 302 N PRO A 19 12.089 1.855 -3.369 1.00 0.74 N ATOM 303 CA PRO A 19 11.705 2.834 -2.395 1.00 0.74 C ATOM 304 C PRO A 19 11.413 4.179 -2.966 1.00 0.70 C ATOM 305 O PRO A 19 10.746 4.990 -2.326 1.00 0.74 O ATOM 306 CB PRO A 19 12.789 2.756 -1.323 1.00 0.86 C ATOM 307 CG PRO A 19 14.043 2.306 -2.087 1.00 0.95 C ATOM 308 CD PRO A 19 13.488 1.472 -3.252 1.00 0.82 C ATOM 0 HA PRO A 19 10.734 2.625 -1.947 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.942 3.721 -0.840 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.524 2.046 -0.539 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.620 3.159 -2.445 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.706 1.716 -1.454 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.030 1.677 -4.175 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.588 0.405 -3.054 1.00 0.82 H new ATOM 316 N SER A 20 11.965 4.451 -4.162 1.00 0.70 N ATOM 317 CA SER A 20 11.746 5.646 -4.916 1.00 0.74 C ATOM 318 C SER A 20 10.374 5.646 -5.495 1.00 0.71 C ATOM 319 O SER A 20 9.991 6.709 -5.981 1.00 0.80 O ATOM 320 CB SER A 20 12.685 5.782 -6.126 1.00 0.89 C ATOM 321 OG SER A 20 14.042 5.954 -5.746 1.00 1.45 O ATOM 0 H SER A 20 12.599 3.801 -4.628 1.00 0.70 H new ATOM 0 HA SER A 20 11.917 6.459 -4.211 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.596 4.894 -6.752 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.370 6.632 -6.732 1.00 0.89 H new ATOM 0 HG SER A 20 14.599 6.034 -6.548 1.00 1.45 H new ATOM 327 N ASP A 21 9.585 4.557 -5.530 1.00 0.70 N ATOM 328 CA ASP A 21 8.242 4.505 -6.021 1.00 0.73 C ATOM 329 C ASP A 21 7.199 5.264 -5.276 1.00 0.64 C ATOM 330 O ASP A 21 7.105 5.301 -4.050 1.00 0.66 O ATOM 331 CB ASP A 21 7.635 3.092 -6.039 1.00 0.87 C ATOM 332 CG ASP A 21 8.352 2.092 -6.935 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.206 2.410 -7.805 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.100 0.878 -6.710 1.00 1.50 O ATOM 0 H ASP A 21 9.908 3.651 -5.192 1.00 0.70 H new ATOM 0 HA ASP A 21 8.426 4.945 -7.001 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.628 2.704 -5.021 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.596 3.164 -6.360 1.00 0.87 H new ATOM 339 N THR A 22 6.320 5.989 -5.989 1.00 0.63 N ATOM 340 CA THR A 22 5.260 6.678 -5.319 1.00 0.58 C ATOM 341 C THR A 22 4.234 5.756 -4.758 1.00 0.53 C ATOM 342 O THR A 22 4.103 4.626 -5.227 1.00 0.58 O ATOM 343 CB THR A 22 4.555 7.770 -6.067 1.00 0.63 C ATOM 344 OG1 THR A 22 4.187 7.283 -7.349 1.00 0.70 O ATOM 345 CG2 THR A 22 5.521 8.951 -6.255 1.00 0.75 C ATOM 0 H THR A 22 6.339 6.098 -7.003 1.00 0.63 H new ATOM 0 HA THR A 22 5.820 7.177 -4.528 1.00 0.58 H new ATOM 0 HB THR A 22 3.672 8.089 -5.513 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.723 7.989 -7.846 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.017 9.750 -6.798 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.839 9.320 -5.280 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.393 8.622 -6.820 1.00 0.75 H new ATOM 353 N ILE A 23 3.393 6.169 -3.793 1.00 0.51 N ATOM 354 CA ILE A 23 2.300 5.453 -3.211 1.00 0.48 C ATOM 355 C ILE A 23 1.255 5.264 -4.257 1.00 0.48 C ATOM 356 O ILE A 23 0.779 4.141 -4.417 1.00 0.51 O ATOM 357 CB ILE A 23 1.882 6.199 -1.979 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.878 6.066 -0.815 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.520 5.656 -1.517 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.308 4.640 -0.476 1.00 0.73 C ATOM 0 H ILE A 23 3.490 7.097 -3.381 1.00 0.51 H new ATOM 0 HA ILE A 23 2.549 4.445 -2.879 1.00 0.48 H new ATOM 0 HB ILE A 23 1.836 7.255 -2.245 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.768 6.648 -1.053 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.433 6.514 0.074 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.201 6.188 -0.621 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.217 5.802 -2.307 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.609 4.593 -1.295 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.010 4.660 0.358 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.433 4.052 -0.200 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.789 4.189 -1.344 1.00 0.73 H new ATOM 372 N GLU A 24 0.945 6.274 -5.088 1.00 0.50 N ATOM 373 CA GLU A 24 0.269 6.135 -6.340 1.00 0.53 C ATOM 374 C GLU A 24 0.721 5.057 -7.266 1.00 0.50 C ATOM 375 O GLU A 24 -0.125 4.279 -7.705 1.00 0.55 O ATOM 376 CB GLU A 24 0.206 7.368 -7.258 1.00 0.64 C ATOM 377 CG GLU A 24 -0.627 7.144 -8.522 1.00 0.95 C ATOM 378 CD GLU A 24 -0.865 8.449 -9.267 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.019 9.347 -9.299 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.002 8.645 -9.772 1.00 1.62 O ATOM 0 H GLU A 24 1.180 7.243 -4.873 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.697 5.904 -5.891 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.212 8.206 -6.700 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.219 7.650 -7.545 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.116 6.438 -9.176 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.584 6.696 -8.255 1.00 0.95 H new ATOM 387 N ASN A 25 2.048 5.029 -7.478 1.00 0.51 N ATOM 388 CA ASN A 25 2.553 4.006 -8.339 1.00 0.52 C ATOM 389 C ASN A 25 2.415 2.656 -7.721 1.00 0.47 C ATOM 390 O ASN A 25 2.047 1.709 -8.415 1.00 0.53 O ATOM 391 CB ASN A 25 4.066 4.130 -8.584 1.00 0.64 C ATOM 392 CG ASN A 25 4.548 3.389 -9.824 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.034 2.260 -9.809 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.415 4.117 -10.966 1.00 1.57 N ATOM 0 H ASN A 25 2.735 5.671 -7.082 1.00 0.51 H new ATOM 0 HA ASN A 25 1.977 4.123 -9.257 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.325 5.185 -8.678 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.599 3.748 -7.713 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.725 3.729 -11.857 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.006 5.051 -10.931 1.00 1.57 H new ATOM 401 N VAL A 26 2.768 2.477 -6.437 1.00 0.45 N ATOM 402 CA VAL A 26 2.557 1.257 -5.720 1.00 0.44 C ATOM 403 C VAL A 26 1.139 0.812 -5.629 1.00 0.40 C ATOM 404 O VAL A 26 0.801 -0.369 -5.685 1.00 0.44 O ATOM 405 CB VAL A 26 3.151 1.350 -4.346 1.00 0.50 C ATOM 406 CG1 VAL A 26 3.031 0.084 -3.480 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.655 1.637 -4.494 1.00 0.62 C ATOM 0 H VAL A 26 3.215 3.204 -5.878 1.00 0.45 H new ATOM 0 HA VAL A 26 3.064 0.494 -6.310 1.00 0.44 H new ATOM 0 HB VAL A 26 2.586 2.134 -3.842 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.493 0.262 -2.509 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.979 -0.164 -3.341 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.536 -0.745 -3.975 1.00 0.60 H new ATOM 0 HG21 VAL A 26 5.111 1.709 -3.506 1.00 0.62 H new ATOM 0 HG22 VAL A 26 5.126 0.829 -5.053 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.795 2.577 -5.028 1.00 0.62 H new ATOM 417 N LYS A 27 0.106 1.674 -5.617 1.00 0.40 N ATOM 418 CA LYS A 27 -1.278 1.338 -5.740 1.00 0.41 C ATOM 419 C LYS A 27 -1.603 0.834 -7.105 1.00 0.38 C ATOM 420 O LYS A 27 -2.474 -0.020 -7.252 1.00 0.42 O ATOM 421 CB LYS A 27 -2.148 2.552 -5.371 1.00 0.51 C ATOM 422 CG LYS A 27 -2.090 2.953 -3.896 1.00 0.76 C ATOM 423 CD LYS A 27 -2.983 4.185 -3.731 1.00 0.82 C ATOM 424 CE LYS A 27 -2.981 4.495 -2.234 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.856 5.634 -1.875 1.00 1.11 N ATOM 0 H LYS A 27 0.251 2.678 -5.514 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.496 0.528 -5.044 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.837 3.403 -5.978 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.183 2.334 -5.634 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.437 2.138 -3.261 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.066 3.176 -3.597 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.599 5.027 -4.306 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.993 3.988 -4.089 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.304 3.610 -1.685 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.962 4.713 -1.916 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.461 6.128 -1.049 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.915 6.293 -2.678 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.807 5.282 -1.645 1.00 1.11 H new ATOM 439 N ALA A 28 -0.968 1.366 -8.164 1.00 0.39 N ATOM 440 CA ALA A 28 -1.091 0.758 -9.452 1.00 0.39 C ATOM 441 C ALA A 28 -0.677 -0.671 -9.529 1.00 0.36 C ATOM 442 O ALA A 28 -1.393 -1.574 -9.957 1.00 0.42 O ATOM 443 CB ALA A 28 -0.469 1.708 -10.491 1.00 0.51 C ATOM 0 H ALA A 28 -0.381 2.200 -8.132 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.148 0.643 -9.692 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.551 1.265 -11.484 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.997 2.661 -10.474 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.582 1.871 -10.252 1.00 0.51 H new ATOM 449 N LYS A 29 0.499 -0.967 -8.946 1.00 0.39 N ATOM 450 CA LYS A 29 1.031 -2.270 -8.695 1.00 0.43 C ATOM 451 C LYS A 29 -0.022 -3.111 -8.060 1.00 0.44 C ATOM 452 O LYS A 29 -0.321 -4.162 -8.623 1.00 0.54 O ATOM 453 CB LYS A 29 2.332 -2.256 -7.873 1.00 0.54 C ATOM 454 CG LYS A 29 3.523 -1.548 -8.520 1.00 0.65 C ATOM 455 CD LYS A 29 4.931 -1.774 -7.966 1.00 1.08 C ATOM 456 CE LYS A 29 5.939 -1.486 -9.081 1.00 1.24 C ATOM 457 NZ LYS A 29 6.373 -0.071 -9.068 1.00 1.44 N ATOM 0 H LYS A 29 1.128 -0.232 -8.624 1.00 0.39 H new ATOM 0 HA LYS A 29 1.316 -2.705 -9.653 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.128 -1.780 -6.914 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.617 -3.287 -7.663 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.538 -1.831 -9.572 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.326 -0.477 -8.481 1.00 0.65 H new ATOM 0 HD2 LYS A 29 5.112 -1.121 -7.112 1.00 1.08 H new ATOM 0 HD3 LYS A 29 5.039 -2.799 -7.612 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.807 -2.135 -8.965 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.492 -1.722 -10.047 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.129 0.067 -9.769 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.567 0.542 -9.304 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.729 0.174 -8.122 1.00 1.44 H new ATOM 471 N ILE A 30 -0.748 -2.720 -6.996 1.00 0.41 N ATOM 472 CA ILE A 30 -1.830 -3.442 -6.401 1.00 0.44 C ATOM 473 C ILE A 30 -3.029 -3.681 -7.253 1.00 0.45 C ATOM 474 O ILE A 30 -3.697 -4.707 -7.134 1.00 0.56 O ATOM 475 CB ILE A 30 -2.084 -2.714 -5.114 1.00 0.45 C ATOM 476 CG1 ILE A 30 -0.988 -2.651 -4.037 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.360 -3.252 -4.443 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.220 -1.584 -2.968 1.00 1.32 C ATOM 0 H ILE A 30 -0.565 -1.837 -6.519 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.557 -4.484 -6.238 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.152 -1.687 -5.474 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -0.914 -3.625 -3.552 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.030 -2.462 -4.521 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.534 -2.716 -3.510 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.210 -3.106 -5.109 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.241 -4.315 -4.234 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.402 -1.607 -2.248 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.263 -0.601 -3.438 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.161 -1.782 -2.455 1.00 1.32 H new ATOM 490 N GLN A 31 -3.365 -2.799 -8.210 1.00 0.41 N ATOM 491 CA GLN A 31 -4.526 -2.788 -9.046 1.00 0.48 C ATOM 492 C GLN A 31 -4.581 -3.894 -10.042 1.00 0.52 C ATOM 493 O GLN A 31 -5.546 -4.577 -10.384 1.00 0.66 O ATOM 494 CB GLN A 31 -4.664 -1.465 -9.818 1.00 0.52 C ATOM 495 CG GLN A 31 -5.956 -1.435 -10.636 1.00 0.70 C ATOM 496 CD GLN A 31 -6.012 -0.160 -11.465 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.984 0.496 -11.626 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.252 0.126 -11.946 1.00 1.43 N ATOM 0 H GLN A 31 -2.755 -2.008 -8.419 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.348 -2.920 -8.342 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.654 -0.630 -9.118 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.808 -1.336 -10.480 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.004 -2.307 -11.289 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.819 -1.486 -9.972 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.033 -0.498 -11.745 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.400 0.964 -12.508 1.00 1.43 H new ATOM 507 N ASP A 32 -3.400 -4.281 -10.554 1.00 0.50 N ATOM 508 CA ASP A 32 -3.017 -5.369 -11.402 1.00 0.60 C ATOM 509 C ASP A 32 -3.290 -6.693 -10.776 1.00 0.65 C ATOM 510 O ASP A 32 -3.847 -7.628 -11.349 1.00 0.81 O ATOM 511 CB ASP A 32 -1.510 -5.240 -11.682 1.00 0.67 C ATOM 512 CG ASP A 32 -0.982 -6.217 -12.723 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.677 -6.423 -13.754 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.151 -6.744 -12.565 1.00 1.51 O ATOM 0 H ASP A 32 -2.573 -3.728 -10.328 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.602 -5.319 -12.320 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.300 -4.224 -12.015 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.965 -5.390 -10.750 1.00 0.67 H new ATOM 519 N LYS A 33 -3.027 -6.886 -9.472 1.00 0.62 N ATOM 520 CA LYS A 33 -3.097 -8.126 -8.765 1.00 0.73 C ATOM 521 C LYS A 33 -4.469 -8.239 -8.195 1.00 0.69 C ATOM 522 O LYS A 33 -5.210 -9.080 -8.703 1.00 0.83 O ATOM 523 CB LYS A 33 -2.055 -8.150 -7.634 1.00 0.85 C ATOM 524 CG LYS A 33 -0.579 -8.027 -8.013 1.00 1.31 C ATOM 525 CD LYS A 33 -0.175 -9.261 -8.823 1.00 1.71 C ATOM 526 CE LYS A 33 1.335 -9.504 -8.868 1.00 2.26 C ATOM 527 NZ LYS A 33 1.760 -10.592 -9.777 1.00 2.62 N ATOM 0 H LYS A 33 -2.744 -6.115 -8.867 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.888 -8.960 -9.435 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.291 -7.339 -6.945 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.182 -9.082 -7.084 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.413 -7.121 -8.596 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.036 -7.946 -7.117 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.662 -10.138 -8.398 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.547 -9.153 -9.842 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.829 -8.581 -9.172 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.682 -9.734 -7.861 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.795 -10.687 -9.745 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.321 -11.486 -9.478 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.463 -10.369 -10.748 1.00 2.62 H new ATOM 541 N GLU A 34 -4.809 -7.347 -7.249 1.00 0.63 N ATOM 542 CA GLU A 34 -5.962 -7.564 -6.432 1.00 0.67 C ATOM 543 C GLU A 34 -7.252 -7.041 -6.964 1.00 0.69 C ATOM 544 O GLU A 34 -8.377 -7.379 -6.599 1.00 0.95 O ATOM 545 CB GLU A 34 -5.708 -7.024 -5.015 1.00 0.73 C ATOM 546 CG GLU A 34 -4.738 -7.931 -4.255 1.00 0.83 C ATOM 547 CD GLU A 34 -5.375 -9.266 -3.896 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.574 -9.254 -3.506 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.805 -10.337 -4.235 1.00 1.37 O ATOM 0 H GLU A 34 -4.295 -6.488 -7.051 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.096 -8.646 -6.423 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.300 -6.015 -5.073 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.651 -6.956 -4.472 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.850 -8.104 -4.863 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.408 -7.429 -3.345 1.00 0.83 H new ATOM 556 N GLY A 35 -7.163 -6.119 -7.939 1.00 0.63 N ATOM 557 CA GLY A 35 -8.290 -5.557 -8.616 1.00 0.68 C ATOM 558 C GLY A 35 -9.004 -4.459 -7.907 1.00 0.76 C ATOM 559 O GLY A 35 -10.228 -4.370 -7.974 1.00 1.12 O ATOM 0 H GLY A 35 -6.271 -5.751 -8.269 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.956 -5.180 -9.583 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.003 -6.357 -8.815 1.00 0.68 H new ATOM 563 N ILE A 36 -8.229 -3.647 -7.166 1.00 0.70 N ATOM 564 CA ILE A 36 -8.707 -2.554 -6.379 1.00 0.76 C ATOM 565 C ILE A 36 -8.297 -1.303 -7.076 1.00 0.71 C ATOM 566 O ILE A 36 -7.096 -1.145 -7.290 1.00 0.73 O ATOM 567 CB ILE A 36 -8.165 -2.627 -4.982 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.638 -3.946 -4.349 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.672 -1.368 -4.257 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.838 -4.308 -3.099 1.00 1.16 C ATOM 0 H ILE A 36 -7.217 -3.760 -7.114 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.792 -2.583 -6.281 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.076 -2.637 -4.929 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.694 -3.865 -4.091 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.549 -4.750 -5.080 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.307 -1.367 -3.230 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.307 -0.480 -4.772 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.762 -1.364 -4.254 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.209 -5.247 -2.689 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.785 -4.417 -3.360 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.948 -3.518 -2.356 1.00 1.16 H new ATOM 582 N PRO A 37 -9.231 -0.469 -7.424 1.00 0.75 N ATOM 583 CA PRO A 37 -8.884 0.791 -8.016 1.00 0.79 C ATOM 584 C PRO A 37 -7.880 1.612 -7.283 1.00 0.75 C ATOM 585 O PRO A 37 -8.015 1.589 -6.060 1.00 0.75 O ATOM 586 CB PRO A 37 -10.182 1.523 -8.352 1.00 0.95 C ATOM 587 CG PRO A 37 -11.189 0.373 -8.511 1.00 1.02 C ATOM 588 CD PRO A 37 -10.607 -0.824 -7.740 1.00 0.85 C ATOM 0 HA PRO A 37 -8.326 0.588 -8.930 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.475 2.211 -7.559 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.091 2.110 -9.266 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.165 0.653 -8.114 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.332 0.125 -9.563 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.178 -1.018 -6.832 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.647 -1.732 -8.342 1.00 0.85 H new ATOM 596 N PRO A 38 -6.999 2.399 -7.823 1.00 0.81 N ATOM 597 CA PRO A 38 -5.977 3.120 -7.121 1.00 0.85 C ATOM 598 C PRO A 38 -6.585 4.192 -6.283 1.00 0.89 C ATOM 599 O PRO A 38 -5.955 4.635 -5.325 1.00 0.99 O ATOM 600 CB PRO A 38 -5.065 3.732 -8.183 1.00 1.01 C ATOM 601 CG PRO A 38 -5.866 3.678 -9.493 1.00 1.25 C ATOM 602 CD PRO A 38 -6.662 2.387 -9.239 1.00 0.98 C ATOM 0 HA PRO A 38 -5.418 2.461 -6.457 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.799 4.758 -7.928 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.133 3.173 -8.269 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.508 4.548 -9.629 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.227 3.612 -10.374 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.561 2.355 -9.854 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.071 1.507 -9.492 1.00 0.98 H new ATOM 610 N ASP A 39 -7.803 4.640 -6.639 1.00 0.96 N ATOM 611 CA ASP A 39 -8.550 5.611 -5.902 1.00 1.11 C ATOM 612 C ASP A 39 -9.374 5.125 -4.760 1.00 1.00 C ATOM 613 O ASP A 39 -9.696 5.829 -3.804 1.00 1.14 O ATOM 614 CB ASP A 39 -9.375 6.402 -6.931 1.00 1.39 C ATOM 615 CG ASP A 39 -10.328 5.475 -7.673 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.937 4.764 -8.636 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.496 5.448 -7.201 1.00 2.25 O ATOM 0 H ASP A 39 -8.287 4.312 -7.475 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.830 6.234 -5.371 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.939 7.187 -6.428 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.709 6.893 -7.641 1.00 1.39 H new ATOM 622 N GLN A 40 -9.633 3.805 -4.785 1.00 0.87 N ATOM 623 CA GLN A 40 -10.457 3.218 -3.775 1.00 0.84 C ATOM 624 C GLN A 40 -9.742 2.762 -2.550 1.00 0.67 C ATOM 625 O GLN A 40 -10.293 2.835 -1.452 1.00 0.80 O ATOM 626 CB GLN A 40 -11.170 1.982 -4.350 1.00 0.95 C ATOM 627 CG GLN A 40 -12.184 1.285 -3.442 1.00 1.32 C ATOM 628 CD GLN A 40 -12.880 0.171 -4.210 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.674 -0.995 -3.878 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.806 0.531 -5.139 1.00 2.02 N ATOM 0 H GLN A 40 -9.280 3.156 -5.489 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.136 4.018 -3.480 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.682 2.280 -5.265 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.411 1.253 -4.633 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.681 0.876 -2.566 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.919 2.005 -3.081 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.935 1.515 -5.376 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.372 -0.183 -5.599 1.00 2.02 H new ATOM 639 N GLN A 41 -8.434 2.463 -2.642 1.00 0.56 N ATOM 640 CA GLN A 41 -7.619 1.960 -1.580 1.00 0.51 C ATOM 641 C GLN A 41 -6.780 3.020 -0.953 1.00 0.49 C ATOM 642 O GLN A 41 -6.112 3.774 -1.659 1.00 0.65 O ATOM 643 CB GLN A 41 -6.635 0.897 -2.097 1.00 0.67 C ATOM 644 CG GLN A 41 -6.094 1.267 -3.479 1.00 0.69 C ATOM 645 CD GLN A 41 -4.921 0.406 -3.927 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.886 0.192 -3.298 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.065 -0.200 -5.136 1.00 0.61 N ATOM 0 H GLN A 41 -7.914 2.580 -3.512 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.319 1.549 -0.852 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.807 0.793 -1.396 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.134 -0.071 -2.147 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.898 1.179 -4.210 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.784 2.312 -3.470 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.910 -0.046 -5.686 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.328 -0.808 -5.493 1.00 0.61 H new ATOM 656 N ARG A 42 -6.668 2.982 0.387 1.00 0.47 N ATOM 657 CA ARG A 42 -5.814 3.876 1.106 1.00 0.55 C ATOM 658 C ARG A 42 -4.789 3.059 1.815 1.00 0.46 C ATOM 659 O ARG A 42 -5.144 2.038 2.401 1.00 0.52 O ATOM 660 CB ARG A 42 -6.577 4.849 2.019 1.00 0.73 C ATOM 661 CG ARG A 42 -7.419 5.854 1.231 1.00 1.04 C ATOM 662 CD ARG A 42 -8.247 6.709 2.192 1.00 1.28 C ATOM 663 NE ARG A 42 -8.962 7.694 1.332 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.778 8.682 1.803 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.171 8.692 3.110 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.271 9.670 1.000 1.00 2.78 N ATOM 0 H ARG A 42 -7.175 2.324 0.978 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.313 4.544 0.405 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.225 4.282 2.688 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.866 5.388 2.645 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.771 6.492 0.630 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.077 5.327 0.540 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.951 6.096 2.756 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.609 7.212 2.919 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.833 7.625 0.323 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.855 7.958 3.743 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.781 9.434 3.454 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.032 9.688 0.008 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.878 10.390 1.392 1.00 2.78 H new ATOM 680 N LEU A 43 -3.488 3.396 1.767 1.00 0.46 N ATOM 681 CA LEU A 43 -2.434 2.669 2.404 1.00 0.42 C ATOM 682 C LEU A 43 -1.977 3.241 3.702 1.00 0.43 C ATOM 683 O LEU A 43 -1.680 4.433 3.752 1.00 0.55 O ATOM 684 CB LEU A 43 -1.306 2.397 1.394 1.00 0.55 C ATOM 685 CG LEU A 43 -1.676 1.477 0.219 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.520 1.443 -0.793 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.947 0.025 0.650 1.00 1.12 C ATOM 0 H LEU A 43 -3.155 4.215 1.259 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.841 1.707 2.715 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.964 3.351 0.992 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.464 1.956 1.927 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.589 1.888 -0.212 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.784 0.790 -1.625 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.334 2.450 -1.166 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.379 1.065 -0.306 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.203 -0.573 -0.225 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.055 -0.387 1.123 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.775 0.004 1.358 1.00 1.12 H new ATOM 699 N ILE A 44 -2.002 2.308 4.671 1.00 0.42 N ATOM 700 CA ILE A 44 -1.658 2.673 6.011 1.00 0.46 C ATOM 701 C ILE A 44 -0.324 2.077 6.299 1.00 0.42 C ATOM 702 O ILE A 44 -0.041 0.932 5.949 1.00 0.53 O ATOM 703 CB ILE A 44 -2.649 2.222 7.043 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.092 2.648 6.725 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.221 2.801 8.403 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.192 4.150 6.461 1.00 1.27 C ATOM 0 H ILE A 44 -2.252 1.329 4.535 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.652 3.761 6.074 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.649 1.132 7.055 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.449 2.101 5.853 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.742 2.381 7.558 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.928 2.486 9.171 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.225 2.438 8.656 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.207 3.889 8.347 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.227 4.412 6.240 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.859 4.697 7.343 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.562 4.413 5.612 1.00 1.27 H new ATOM 718 N PHE A 45 0.630 2.753 6.965 1.00 0.42 N ATOM 719 CA PHE A 45 1.829 2.095 7.382 1.00 0.46 C ATOM 720 C PHE A 45 2.134 2.779 8.671 1.00 0.68 C ATOM 721 O PHE A 45 2.027 3.998 8.794 1.00 1.50 O ATOM 722 CB PHE A 45 2.876 2.261 6.268 1.00 0.56 C ATOM 723 CG PHE A 45 4.260 1.875 6.663 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.719 0.587 6.517 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.025 2.831 7.287 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.957 0.326 7.056 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.338 2.561 7.595 1.00 1.33 C ATOM 728 CZ PHE A 45 6.847 1.290 7.466 1.00 1.02 C ATOM 0 H PHE A 45 0.573 3.741 7.212 1.00 0.42 H new ATOM 0 HA PHE A 45 1.780 1.018 7.541 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.575 1.660 5.410 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.881 3.301 5.942 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.143 -0.173 6.010 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.597 3.791 7.535 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.250 -0.708 7.165 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.978 3.358 7.943 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.882 1.063 7.674 1.00 1.02 H new ATOM 738 N ALA A 46 2.584 1.966 9.643 1.00 0.81 N ATOM 739 CA ALA A 46 2.844 2.350 10.995 1.00 0.96 C ATOM 740 C ALA A 46 1.573 2.805 11.625 1.00 0.97 C ATOM 741 O ALA A 46 0.781 1.954 12.023 1.00 1.21 O ATOM 742 CB ALA A 46 4.105 3.232 11.022 1.00 1.20 C ATOM 0 H ALA A 46 2.778 0.979 9.473 1.00 0.81 H new ATOM 0 HA ALA A 46 3.130 1.540 11.666 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.316 3.533 12.048 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.951 2.669 10.627 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.942 4.119 10.410 1.00 1.20 H new ATOM 748 N GLY A 47 1.403 4.139 11.597 1.00 0.99 N ATOM 749 CA GLY A 47 0.245 4.748 12.171 1.00 1.10 C ATOM 750 C GLY A 47 -0.097 5.999 11.436 1.00 1.03 C ATOM 751 O GLY A 47 -0.762 6.904 11.936 1.00 1.30 O ATOM 0 H GLY A 47 2.065 4.793 11.179 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.595 4.055 12.134 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.427 4.973 13.222 1.00 1.10 H new ATOM 755 N LYS A 48 0.333 6.067 10.162 1.00 0.98 N ATOM 756 CA LYS A 48 0.176 7.178 9.276 1.00 1.05 C ATOM 757 C LYS A 48 -0.580 6.705 8.082 1.00 0.84 C ATOM 758 O LYS A 48 -0.524 5.543 7.682 1.00 0.81 O ATOM 759 CB LYS A 48 1.515 7.791 8.832 1.00 1.42 C ATOM 760 CG LYS A 48 2.438 8.261 9.959 1.00 1.61 C ATOM 761 CD LYS A 48 3.732 8.870 9.416 1.00 1.87 C ATOM 762 CE LYS A 48 4.573 9.458 10.551 1.00 2.22 C ATOM 763 NZ LYS A 48 5.878 9.925 10.029 1.00 2.55 N ATOM 0 H LYS A 48 0.825 5.289 9.722 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.359 7.965 9.808 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.050 7.054 8.233 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.306 8.640 8.181 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.918 8.998 10.571 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.677 7.419 10.608 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.306 8.107 8.890 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.497 9.649 8.691 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.041 10.288 11.016 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.730 8.706 11.325 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.441 10.322 10.808 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.389 9.124 9.606 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.721 10.657 9.307 1.00 2.55 H new ATOM 777 N GLN A 49 -1.362 7.658 7.547 1.00 0.84 N ATOM 778 CA GLN A 49 -2.032 7.386 6.313 1.00 0.80 C ATOM 779 C GLN A 49 -1.195 7.944 5.214 1.00 0.72 C ATOM 780 O GLN A 49 -0.805 9.108 5.282 1.00 0.83 O ATOM 781 CB GLN A 49 -3.416 8.054 6.288 1.00 1.03 C ATOM 782 CG GLN A 49 -4.384 7.647 7.400 1.00 1.67 C ATOM 783 CD GLN A 49 -5.746 8.280 7.156 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.712 7.652 6.726 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.769 9.579 7.556 1.00 2.48 N ATOM 0 H GLN A 49 -1.528 8.581 7.948 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.172 6.311 6.196 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.276 9.134 6.335 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.885 7.835 5.329 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.478 6.562 7.433 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.994 7.963 8.368 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.917 10.022 7.901 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.638 10.111 7.512 1.00 2.48 H new ATOM 794 N LEU A 50 -0.909 7.175 4.148 1.00 0.69 N ATOM 795 CA LEU A 50 0.014 7.626 3.153 1.00 0.66 C ATOM 796 C LEU A 50 -0.493 8.284 1.917 1.00 0.72 C ATOM 797 O LEU A 50 -1.314 7.673 1.234 1.00 0.90 O ATOM 798 CB LEU A 50 0.978 6.500 2.743 1.00 0.65 C ATOM 799 CG LEU A 50 1.390 5.510 3.845 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.389 4.563 3.157 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.219 6.140 4.977 1.00 0.74 C ATOM 0 H LEU A 50 -1.310 6.253 3.976 1.00 0.69 H new ATOM 0 HA LEU A 50 0.497 8.441 3.692 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.517 5.935 1.933 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.882 6.956 2.339 1.00 0.65 H new ATOM 0 HG LEU A 50 0.483 5.078 4.267 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.738 3.819 3.873 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.899 4.062 2.322 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.239 5.137 2.787 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.469 5.376 5.713 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.136 6.561 4.565 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.640 6.930 5.456 1.00 0.74 H new ATOM 813 N GLU A 51 -0.054 9.506 1.566 1.00 0.70 N ATOM 814 CA GLU A 51 -0.321 10.342 0.437 1.00 0.76 C ATOM 815 C GLU A 51 0.182 9.795 -0.856 1.00 0.77 C ATOM 816 O GLU A 51 1.247 9.192 -0.986 1.00 1.23 O ATOM 817 CB GLU A 51 0.117 11.778 0.768 1.00 0.88 C ATOM 818 CG GLU A 51 -0.197 12.265 2.184 1.00 1.35 C ATOM 819 CD GLU A 51 0.265 13.711 2.300 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.499 14.661 1.986 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.393 13.985 2.790 1.00 1.94 O ATOM 0 H GLU A 51 0.600 9.981 2.187 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.395 10.365 0.254 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.193 11.854 0.609 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.359 12.455 0.058 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.266 12.190 2.384 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.310 11.643 2.922 1.00 1.35 H new ATOM 828 N ASP A 52 -0.654 9.804 -1.909 1.00 0.66 N ATOM 829 CA ASP A 52 -0.431 9.134 -3.152 1.00 0.65 C ATOM 830 C ASP A 52 0.747 9.623 -3.921 1.00 0.60 C ATOM 831 O ASP A 52 1.479 8.903 -4.599 1.00 0.62 O ATOM 832 CB ASP A 52 -1.725 9.297 -3.968 1.00 0.81 C ATOM 833 CG ASP A 52 -2.980 8.810 -3.260 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.261 7.600 -3.470 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.711 9.566 -2.566 1.00 1.56 O ATOM 0 H ASP A 52 -1.539 10.310 -1.891 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.193 8.090 -2.947 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.851 10.350 -4.221 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.619 8.754 -4.907 1.00 0.81 H new ATOM 840 N GLY A 53 1.088 10.922 -3.848 1.00 0.68 N ATOM 841 CA GLY A 53 2.236 11.577 -4.394 1.00 0.73 C ATOM 842 C GLY A 53 3.450 11.563 -3.530 1.00 0.72 C ATOM 843 O GLY A 53 4.168 12.555 -3.646 1.00 0.97 O ATOM 0 H GLY A 53 0.491 11.583 -3.351 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.483 11.107 -5.346 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.975 12.613 -4.608 1.00 0.73 H new ATOM 847 N ARG A 54 3.633 10.593 -2.616 1.00 0.64 N ATOM 848 CA ARG A 54 4.868 10.528 -1.899 1.00 0.63 C ATOM 849 C ARG A 54 5.542 9.216 -2.108 1.00 0.59 C ATOM 850 O ARG A 54 4.862 8.310 -2.586 1.00 0.62 O ATOM 851 CB ARG A 54 4.639 10.671 -0.384 1.00 0.69 C ATOM 852 CG ARG A 54 3.699 11.820 -0.010 1.00 0.82 C ATOM 853 CD ARG A 54 4.264 13.228 -0.199 1.00 1.18 C ATOM 854 NE ARG A 54 3.539 14.100 0.769 1.00 1.50 N ATOM 855 CZ ARG A 54 3.283 15.424 0.552 1.00 2.00 C ATOM 856 NH1 ARG A 54 3.803 16.116 -0.505 1.00 2.49 N ATOM 857 NH2 ARG A 54 2.537 16.112 1.464 1.00 2.48 N ATOM 0 H ARG A 54 2.949 9.874 -2.378 1.00 0.64 H new ATOM 0 HA ARG A 54 5.484 11.344 -2.276 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.229 9.738 0.002 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.600 10.825 0.107 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.791 11.730 -0.606 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.409 11.702 1.034 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.337 13.245 -0.010 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.114 13.573 -1.222 1.00 1.18 H new ATOM 0 HE ARG A 54 3.216 13.684 1.643 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.411 15.644 -1.174 1.00 2.49 H new ATOM 0 HH12 ARG A 54 3.583 17.105 -0.625 1.00 2.49 H new ATOM 0 HH21 ARG A 54 2.180 15.637 2.293 1.00 2.48 H new ATOM 0 HH22 ARG A 54 2.337 17.101 1.317 1.00 2.48 H new ATOM 871 N THR A 55 6.817 9.071 -1.706 1.00 0.63 N ATOM 872 CA THR A 55 7.515 7.841 -1.917 1.00 0.61 C ATOM 873 C THR A 55 7.641 7.067 -0.650 1.00 0.59 C ATOM 874 O THR A 55 7.611 7.589 0.464 1.00 0.64 O ATOM 875 CB THR A 55 8.905 8.089 -2.422 1.00 0.68 C ATOM 876 OG1 THR A 55 9.803 8.703 -1.508 1.00 0.75 O ATOM 877 CG2 THR A 55 8.919 8.887 -3.736 1.00 0.76 C ATOM 0 H THR A 55 7.360 9.797 -1.239 1.00 0.63 H new ATOM 0 HA THR A 55 6.935 7.280 -2.650 1.00 0.61 H new ATOM 0 HB THR A 55 9.273 7.076 -2.584 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.439 9.566 -1.221 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.949 9.039 -4.058 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.377 8.334 -4.503 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.441 9.854 -3.579 1.00 0.76 H new ATOM 885 N LEU A 56 7.775 5.742 -0.829 1.00 0.58 N ATOM 886 CA LEU A 56 8.046 4.821 0.231 1.00 0.59 C ATOM 887 C LEU A 56 9.215 5.214 1.068 1.00 0.64 C ATOM 888 O LEU A 56 9.295 5.010 2.278 1.00 0.70 O ATOM 889 CB LEU A 56 8.330 3.421 -0.340 1.00 0.60 C ATOM 890 CG LEU A 56 7.188 2.867 -1.208 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.618 1.688 -2.097 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.070 2.334 -0.296 1.00 1.03 C ATOM 0 H LEU A 56 7.692 5.296 -1.742 1.00 0.58 H new ATOM 0 HA LEU A 56 7.156 4.824 0.860 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.242 3.459 -0.935 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.516 2.732 0.484 1.00 0.60 H new ATOM 0 HG LEU A 56 6.864 3.692 -1.843 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.766 1.345 -2.683 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.414 2.010 -2.768 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.979 0.873 -1.470 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.258 1.940 -0.908 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.465 1.540 0.338 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.693 3.144 0.329 1.00 1.03 H new ATOM 904 N SER A 57 10.280 5.766 0.460 1.00 0.68 N ATOM 905 CA SER A 57 11.414 6.361 1.096 1.00 0.75 C ATOM 906 C SER A 57 11.155 7.516 2.001 1.00 0.76 C ATOM 907 O SER A 57 11.647 7.644 3.121 1.00 0.84 O ATOM 908 CB SER A 57 12.294 6.781 -0.094 1.00 0.84 C ATOM 909 OG SER A 57 13.640 7.111 0.215 1.00 1.19 O ATOM 0 H SER A 57 10.352 5.798 -0.557 1.00 0.68 H new ATOM 0 HA SER A 57 11.861 5.646 1.787 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.297 5.970 -0.822 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.831 7.642 -0.577 1.00 0.84 H new ATOM 0 HG SER A 57 14.112 7.361 -0.606 1.00 1.19 H new ATOM 915 N ASP A 58 10.395 8.529 1.549 1.00 0.75 N ATOM 916 CA ASP A 58 9.907 9.530 2.446 1.00 0.78 C ATOM 917 C ASP A 58 9.389 8.986 3.733 1.00 0.77 C ATOM 918 O ASP A 58 9.715 9.446 4.826 1.00 0.86 O ATOM 919 CB ASP A 58 8.870 10.418 1.736 1.00 0.83 C ATOM 920 CG ASP A 58 9.483 11.223 0.599 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.593 11.742 0.892 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.010 11.116 -0.563 1.00 1.86 O ATOM 0 H ASP A 58 10.121 8.655 0.575 1.00 0.75 H new ATOM 0 HA ASP A 58 10.762 10.144 2.729 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.067 9.794 1.345 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.421 11.098 2.460 1.00 0.83 H new ATOM 927 N TYR A 59 8.546 7.942 3.658 1.00 0.72 N ATOM 928 CA TYR A 59 8.026 7.300 4.826 1.00 0.73 C ATOM 929 C TYR A 59 8.917 6.354 5.552 1.00 0.76 C ATOM 930 O TYR A 59 8.550 5.973 6.662 1.00 0.89 O ATOM 931 CB TYR A 59 6.702 6.533 4.672 1.00 0.73 C ATOM 932 CG TYR A 59 5.639 7.545 4.411 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.068 8.371 5.350 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.184 7.583 3.115 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.085 9.246 4.953 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.207 8.446 2.675 1.00 0.70 C ATOM 937 CZ TYR A 59 3.688 9.281 3.637 1.00 0.74 C ATOM 938 OH TYR A 59 2.604 10.081 3.218 1.00 0.86 O ATOM 0 H TYR A 59 8.221 7.538 2.779 1.00 0.72 H new ATOM 0 HA TYR A 59 7.891 8.217 5.400 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.764 5.818 3.851 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.479 5.964 5.574 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.386 8.333 6.381 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.617 6.897 2.402 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.625 9.905 5.674 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.872 8.466 1.649 1.00 0.70 H new ATOM 0 HH TYR A 59 2.902 11.009 3.119 1.00 0.86 H new ATOM 948 N ASN A 60 10.046 5.923 4.960 1.00 0.74 N ATOM 949 CA ASN A 60 11.022 5.043 5.523 1.00 0.79 C ATOM 950 C ASN A 60 10.516 3.651 5.686 1.00 0.75 C ATOM 951 O ASN A 60 10.455 3.068 6.768 1.00 0.86 O ATOM 952 CB ASN A 60 11.676 5.608 6.795 1.00 0.95 C ATOM 953 CG ASN A 60 12.658 6.753 6.585 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.519 7.755 7.284 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.754 6.465 5.834 1.00 1.83 N ATOM 0 H ASN A 60 10.294 6.214 4.014 1.00 0.74 H new ATOM 0 HA ASN A 60 11.827 4.977 4.791 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.887 5.950 7.465 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.197 4.797 7.304 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.547 7.106 5.822 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.783 5.607 5.282 1.00 1.83 H new ATOM 962 N ILE A 61 10.184 2.952 4.586 1.00 0.67 N ATOM 963 CA ILE A 61 9.750 1.595 4.466 1.00 0.65 C ATOM 964 C ILE A 61 10.945 0.792 4.085 1.00 0.66 C ATOM 965 O ILE A 61 11.666 1.195 3.173 1.00 0.75 O ATOM 966 CB ILE A 61 8.625 1.461 3.484 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.373 2.185 4.005 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.259 -0.020 3.296 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.150 2.186 3.091 1.00 0.82 C ATOM 0 H ILE A 61 10.227 3.398 3.670 1.00 0.67 H new ATOM 0 HA ILE A 61 9.344 1.229 5.409 1.00 0.65 H new ATOM 0 HB ILE A 61 8.952 1.898 2.540 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.088 1.731 4.954 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.642 3.220 4.215 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.441 -0.105 2.581 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.126 -0.564 2.922 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.950 -0.443 4.252 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.336 2.728 3.573 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.401 2.672 2.148 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.839 1.159 2.899 1.00 0.82 H new ATOM 981 N GLN A 62 11.101 -0.386 4.715 1.00 0.67 N ATOM 982 CA GLN A 62 12.250 -1.219 4.543 1.00 0.70 C ATOM 983 C GLN A 62 11.757 -2.496 3.951 1.00 0.62 C ATOM 984 O GLN A 62 10.548 -2.589 3.748 1.00 0.64 O ATOM 985 CB GLN A 62 12.844 -1.527 5.928 1.00 0.85 C ATOM 986 CG GLN A 62 12.020 -2.323 6.941 1.00 1.27 C ATOM 987 CD GLN A 62 12.843 -2.692 8.167 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.027 -2.381 8.289 1.00 2.08 O ATOM 989 NE2 GLN A 62 12.245 -3.594 8.990 1.00 2.16 N ATOM 0 H GLN A 62 10.410 -0.769 5.361 1.00 0.67 H new ATOM 0 HA GLN A 62 13.003 -0.742 3.915 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.778 -2.067 5.770 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.101 -0.575 6.392 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.153 -1.737 7.247 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.641 -3.230 6.470 1.00 1.27 H new ATOM 0 HE21 GLN A 62 11.261 -3.829 8.860 1.00 2.16 H new ATOM 0 HE22 GLN A 62 12.781 -4.036 9.737 1.00 2.16 H new ATOM 998 N LYS A 63 12.688 -3.438 3.715 1.00 0.64 N ATOM 999 CA LYS A 63 12.261 -4.707 3.215 1.00 0.62 C ATOM 1000 C LYS A 63 11.531 -5.565 4.191 1.00 0.59 C ATOM 1001 O LYS A 63 11.732 -5.567 5.404 1.00 0.66 O ATOM 1002 CB LYS A 63 13.360 -5.547 2.543 1.00 0.74 C ATOM 1003 CG LYS A 63 14.487 -5.920 3.508 1.00 0.89 C ATOM 1004 CD LYS A 63 15.706 -6.572 2.851 1.00 1.11 C ATOM 1005 CE LYS A 63 16.959 -6.495 3.727 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.964 -7.448 4.859 1.00 2.12 N ATOM 0 H LYS A 63 13.692 -3.331 3.862 1.00 0.64 H new ATOM 0 HA LYS A 63 11.554 -4.391 2.448 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.919 -6.457 2.136 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.775 -4.990 1.703 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.811 -5.020 4.030 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.091 -6.601 4.261 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.482 -7.617 2.635 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.904 -6.084 1.897 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.835 -6.680 3.106 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.054 -5.482 4.118 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.843 -7.335 5.404 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.148 -7.259 5.475 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.905 -8.420 4.495 1.00 2.12 H new ATOM 1020 N GLU A 64 10.497 -6.225 3.641 1.00 0.57 N ATOM 1021 CA GLU A 64 9.630 -7.165 4.282 1.00 0.58 C ATOM 1022 C GLU A 64 8.698 -6.556 5.272 1.00 0.56 C ATOM 1023 O GLU A 64 8.496 -6.954 6.418 1.00 0.70 O ATOM 1024 CB GLU A 64 10.342 -8.439 4.769 1.00 0.72 C ATOM 1025 CG GLU A 64 11.123 -9.133 3.651 1.00 0.96 C ATOM 1026 CD GLU A 64 12.137 -10.102 4.240 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.733 -11.141 4.827 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.349 -9.761 4.210 1.00 1.69 O ATOM 0 H GLU A 64 10.247 -6.088 2.662 1.00 0.57 H new ATOM 0 HA GLU A 64 8.971 -7.519 3.489 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.024 -8.184 5.580 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.605 -9.131 5.177 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.436 -9.668 2.996 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.633 -8.390 3.039 1.00 0.96 H new ATOM 1035 N SER A 65 8.097 -5.454 4.789 1.00 0.51 N ATOM 1036 CA SER A 65 7.270 -4.650 5.634 1.00 0.51 C ATOM 1037 C SER A 65 5.820 -4.743 5.301 1.00 0.43 C ATOM 1038 O SER A 65 5.429 -4.807 4.137 1.00 0.50 O ATOM 1039 CB SER A 65 7.553 -3.151 5.436 1.00 0.65 C ATOM 1040 OG SER A 65 8.856 -2.853 5.918 1.00 1.04 O ATOM 0 H SER A 65 8.181 -5.123 3.828 1.00 0.51 H new ATOM 0 HA SER A 65 7.493 -5.021 6.634 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.474 -2.890 4.381 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.811 -2.555 5.968 1.00 0.65 H new ATOM 0 HG SER A 65 9.471 -2.758 5.161 1.00 1.04 H new ATOM 1046 N THR A 66 4.905 -4.881 6.279 1.00 0.45 N ATOM 1047 CA THR A 66 3.503 -5.102 6.107 1.00 0.45 C ATOM 1048 C THR A 66 2.726 -3.831 6.090 1.00 0.43 C ATOM 1049 O THR A 66 2.434 -3.177 7.089 1.00 0.58 O ATOM 1050 CB THR A 66 2.862 -6.029 7.096 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.441 -7.326 7.092 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.406 -6.199 6.630 1.00 0.78 C ATOM 0 H THR A 66 5.168 -4.834 7.263 1.00 0.45 H new ATOM 0 HA THR A 66 3.463 -5.594 5.135 1.00 0.45 H new ATOM 0 HB THR A 66 2.977 -5.609 8.095 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.988 -7.888 7.755 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.881 -6.867 7.313 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.911 -5.228 6.621 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.392 -6.622 5.626 1.00 0.78 H new ATOM 1060 N LEU A 67 2.392 -3.391 4.864 1.00 0.38 N ATOM 1061 CA LEU A 67 1.580 -2.226 4.697 1.00 0.38 C ATOM 1062 C LEU A 67 0.170 -2.674 4.875 1.00 0.37 C ATOM 1063 O LEU A 67 -0.220 -3.761 4.454 1.00 0.50 O ATOM 1064 CB LEU A 67 1.722 -1.709 3.255 1.00 0.46 C ATOM 1065 CG LEU A 67 2.962 -0.849 2.959 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.310 -1.585 3.040 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.787 -0.344 1.517 1.00 1.31 C ATOM 0 H LEU A 67 2.682 -3.838 3.994 1.00 0.38 H new ATOM 0 HA LEU A 67 1.867 -1.444 5.400 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.733 -2.567 2.583 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.834 -1.125 3.012 1.00 0.46 H new ATOM 0 HG LEU A 67 3.010 -0.070 3.720 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.118 -0.889 2.814 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.446 -1.986 4.044 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.322 -2.402 2.319 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.640 0.277 1.243 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.725 -1.195 0.839 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.872 0.244 1.446 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.661 -1.784 5.445 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.002 -2.187 5.736 1.00 0.37 C ATOM 1081 C HIS A 68 -2.885 -1.492 4.760 1.00 0.35 C ATOM 1082 O HIS A 68 -2.654 -0.311 4.501 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.392 -1.926 7.201 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.472 -2.529 8.221 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.370 -1.908 8.774 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.368 -3.859 8.483 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.341 -2.904 9.368 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.235 -4.084 9.237 1.00 1.51 N ATOM 0 H HIS A 68 -0.420 -0.825 5.696 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.109 -3.266 5.627 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.434 -0.849 7.363 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.397 -2.313 7.368 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.062 -4.618 8.153 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.274 -2.746 9.889 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.089 -4.975 9.614 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.908 -2.153 4.190 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.759 -1.554 3.209 1.00 0.38 C ATOM 1098 C LEU A 69 -6.101 -1.237 3.773 1.00 0.41 C ATOM 1099 O LEU A 69 -6.736 -2.158 4.283 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.738 -2.449 1.958 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.534 -1.833 0.796 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.959 -2.317 -0.546 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.036 -2.162 0.749 1.00 1.14 C ATOM 0 H LEU A 69 -4.148 -3.119 4.414 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.396 -0.575 2.897 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.706 -2.611 1.645 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.153 -3.426 2.204 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.436 -0.761 0.966 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.527 -1.877 -1.365 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.915 -2.014 -0.625 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.027 -3.404 -0.600 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.489 -1.672 -0.113 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.170 -3.240 0.665 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.515 -1.807 1.661 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.593 0.015 3.763 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.921 0.276 4.223 1.00 0.56 C ATOM 1117 C VAL A 70 -8.702 0.577 2.990 1.00 0.55 C ATOM 1118 O VAL A 70 -8.322 1.320 2.086 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.191 1.358 5.227 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.655 0.913 6.599 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.732 2.769 4.823 1.00 0.97 C ATOM 0 H VAL A 70 -6.080 0.836 3.441 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.190 -0.610 4.798 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.273 1.479 5.280 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.847 1.694 7.335 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.156 -0.005 6.905 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.582 0.735 6.530 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.975 3.473 5.619 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.655 2.768 4.657 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.240 3.068 3.906 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.771 -0.208 2.768 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.627 -0.250 1.624 1.00 0.84 C ATOM 1133 C LEU A 71 -11.934 0.456 1.735 1.00 0.85 C ATOM 1134 O LEU A 71 -12.722 0.323 2.670 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.945 -1.674 1.137 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.523 -1.861 -0.275 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.467 -1.547 -1.348 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.070 -3.280 -0.507 1.00 2.78 C ATOM 0 H LEU A 71 -10.065 -0.887 3.470 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.006 0.291 0.910 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.026 -2.257 1.197 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.649 -2.115 1.843 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.354 -1.160 -0.357 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.901 -1.687 -2.338 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.135 -0.515 -1.240 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -9.615 -2.217 -1.227 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -12.466 -3.356 -1.520 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.267 -4.005 -0.376 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -12.865 -3.485 0.210 1.00 2.78 H new