USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1084 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 49 GLN : amide:sc= 0.191 X(o=-0.11,f=-0.19) USER MOD Set 1.2: B 19 ASN : amide:sc= -0.299 K(o=-0.11,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= -1.1 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.25 (180deg=0.981) USER MOD Single : A 2 GLN : amide:sc= 0.00268 X(o=0.0027,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -1.18! (180deg=-1.35) USER MOD Single : A 7 THR OG1 : rot -66:sc= 0.308 USER MOD Single : A 9 THR OG1 : rot -32:sc= 1.15 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.0237 (180deg=-0.192) USER MOD Single : A 12 THR OG1 : rot 29:sc= 0.228 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 USER MOD Single : A 25 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.71) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -1.24 (180deg=-1.48) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.795 (180deg=-0.881) USER MOD Single : A 40 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= -3.49! C(o=-3.5!,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -22:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 121:sc= 0.242 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -106:sc= 0.338 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.184) USER MOD Single : B 8 TYR OH : rot 180:sc=-0.00882 USER MOD Single : B 9 CYS SG : rot -29:sc= -3.78! USER MOD Single : B 11 THR OG1 : rot 177:sc= 1.49 USER MOD Single : B 15 TYR OH : rot 120:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.216 USER MOD Single : B 18 THR OG1 : rot 130:sc= 0 USER MOD Single : B 24 THR OG1 : rot -143:sc= 0.753 USER MOD Single : B 32 HIS :FLIP no HD1:sc= -0.599 F(o=-1.1,f=-0.6) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -124:sc= 1.24 USER MOD Single : B 45 LYS NZ :NH3+ -126:sc= 0.323 (180deg=-0.158) USER MOD Single : B 49 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.66) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= -0.0662 X(o=-0.066,f=-0.049) USER MOD Single : B 62 GLN : amide:sc= -0.0578 K(o=-0.058,f=-0.7) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.665 -20.327 -5.871 1.00 15.13 N ATOM 2 CA MET A 1 -13.731 -19.648 -4.939 1.00 14.88 C ATOM 3 C MET A 1 -13.365 -18.254 -5.442 1.00 13.56 C ATOM 4 O MET A 1 -12.660 -18.107 -6.437 1.00 12.96 O ATOM 5 CB MET A 1 -12.470 -20.503 -4.744 1.00 15.67 C ATOM 6 CG MET A 1 -11.219 -19.706 -4.404 1.00 15.34 C ATOM 7 SD MET A 1 -9.798 -20.758 -4.055 1.00 16.50 S ATOM 8 CE MET A 1 -8.475 -19.551 -4.084 1.00 15.91 C ATOM 0 H1 MET A 1 -14.738 -21.333 -5.618 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.604 -19.885 -5.805 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.309 -20.240 -6.844 1.00 15.13 H new ATOM 0 HA MET A 1 -14.230 -19.531 -3.977 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.654 -21.225 -3.948 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.287 -21.073 -5.655 1.00 15.67 H new ATOM 0 HG2 MET A 1 -10.979 -19.042 -5.235 1.00 15.34 H new ATOM 0 HG3 MET A 1 -11.420 -19.074 -3.539 1.00 15.34 H new ATOM 0 HE1 MET A 1 -7.525 -20.047 -3.884 1.00 15.91 H new ATOM 0 HE2 MET A 1 -8.437 -19.076 -5.064 1.00 15.91 H new ATOM 0 HE3 MET A 1 -8.656 -18.794 -3.321 1.00 15.91 H new ATOM 20 N GLN A 2 -13.861 -17.237 -4.746 1.00 13.22 N ATOM 21 CA GLN A 2 -13.582 -15.850 -5.102 1.00 12.04 C ATOM 22 C GLN A 2 -12.236 -15.426 -4.524 1.00 11.88 C ATOM 23 O GLN A 2 -11.793 -15.961 -3.509 1.00 12.64 O ATOM 24 CB GLN A 2 -14.695 -14.935 -4.579 1.00 11.89 C ATOM 25 CG GLN A 2 -14.401 -13.450 -4.738 1.00 10.95 C ATOM 26 CD GLN A 2 -15.470 -12.576 -4.110 1.00 11.15 C ATOM 27 OE1 GLN A 2 -16.454 -12.218 -4.758 1.00 10.74 O ATOM 28 NE2 GLN A 2 -15.281 -12.225 -2.842 1.00 11.94 N ATOM 0 H GLN A 2 -14.461 -17.348 -3.929 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.543 -15.765 -6.188 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.621 -15.170 -5.104 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.863 -15.151 -3.524 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -13.437 -13.223 -4.283 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -14.317 -13.211 -5.798 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -14.451 -12.544 -2.343 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -15.966 -11.636 -2.368 1.00 11.94 H new ATOM 37 N ILE A 3 -11.592 -14.468 -5.176 1.00 10.95 N ATOM 38 CA ILE A 3 -10.302 -13.961 -4.727 1.00 10.68 C ATOM 39 C ILE A 3 -10.190 -12.471 -5.021 1.00 9.47 C ATOM 40 O ILE A 3 -10.780 -11.974 -5.980 1.00 8.82 O ATOM 41 CB ILE A 3 -9.118 -14.703 -5.386 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.222 -14.645 -6.912 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.060 -16.149 -4.908 1.00 12.19 C ATOM 44 CD1 ILE A 3 -7.952 -15.062 -7.622 1.00 10.30 C ATOM 0 H ILE A 3 -11.945 -14.023 -6.024 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.249 -14.135 -3.652 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.196 -14.204 -5.089 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.039 -15.290 -7.237 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.479 -13.629 -7.212 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.220 -16.656 -5.383 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -8.932 -16.170 -3.826 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -9.987 -16.657 -5.173 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.099 -14.996 -8.700 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.136 -14.402 -7.326 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -7.704 -16.089 -7.352 1.00 10.30 H new ATOM 56 N PHE A 4 -9.434 -11.768 -4.194 1.00 9.25 N ATOM 57 CA PHE A 4 -9.253 -10.332 -4.360 1.00 8.23 C ATOM 58 C PHE A 4 -7.896 -10.029 -4.980 1.00 7.51 C ATOM 59 O PHE A 4 -6.888 -10.609 -4.591 1.00 7.97 O ATOM 60 CB PHE A 4 -9.387 -9.625 -3.010 1.00 8.76 C ATOM 61 CG PHE A 4 -10.701 -9.891 -2.329 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.852 -9.230 -2.733 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.789 -10.803 -1.289 1.00 10.81 C ATOM 64 CE1 PHE A 4 -13.062 -9.474 -2.113 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.998 -11.051 -0.664 1.00 11.64 C ATOM 66 CZ PHE A 4 -13.135 -10.385 -1.077 1.00 11.33 C ATOM 0 H PHE A 4 -8.934 -12.167 -3.399 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.028 -9.962 -5.032 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.575 -9.946 -2.357 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.272 -8.551 -3.157 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.801 -8.516 -3.542 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.903 -11.327 -0.962 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -13.950 -8.953 -2.438 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -12.052 -11.764 0.145 1.00 11.64 H new ATOM 0 HZ PHE A 4 -14.080 -10.576 -0.591 1.00 11.33 H new ATOM 76 N VAL A 5 -7.883 -9.130 -5.961 1.00 6.47 N ATOM 77 CA VAL A 5 -6.647 -8.733 -6.628 1.00 5.80 C ATOM 78 C VAL A 5 -6.372 -7.259 -6.346 1.00 4.97 C ATOM 79 O VAL A 5 -6.945 -6.378 -6.986 1.00 4.55 O ATOM 80 CB VAL A 5 -6.715 -8.962 -8.152 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.341 -8.775 -8.782 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.274 -10.343 -8.466 1.00 6.66 C ATOM 0 H VAL A 5 -8.718 -8.661 -6.312 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.841 -9.352 -6.235 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.390 -8.221 -8.581 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.408 -8.940 -9.857 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -4.989 -7.761 -8.592 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.641 -9.489 -8.348 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.313 -10.483 -9.546 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.631 -11.105 -8.025 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.279 -10.432 -8.052 1.00 6.66 H new ATOM 92 N LYS A 6 -5.490 -7.001 -5.385 1.00 4.99 N ATOM 93 CA LYS A 6 -5.162 -5.637 -4.980 1.00 4.54 C ATOM 94 C LYS A 6 -4.045 -5.045 -5.842 1.00 3.66 C ATOM 95 O LYS A 6 -2.894 -5.477 -5.765 1.00 3.73 O ATOM 96 CB LYS A 6 -4.740 -5.638 -3.503 1.00 5.41 C ATOM 97 CG LYS A 6 -4.974 -4.321 -2.772 1.00 5.62 C ATOM 98 CD LYS A 6 -4.197 -3.176 -3.400 1.00 6.25 C ATOM 99 CE LYS A 6 -4.306 -1.906 -2.571 1.00 6.57 C ATOM 100 NZ LYS A 6 -3.434 -0.821 -3.103 1.00 6.86 N ATOM 0 H LYS A 6 -4.987 -7.723 -4.869 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.047 -5.016 -5.117 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.284 -6.427 -2.984 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.681 -5.888 -3.442 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -6.038 -4.085 -2.781 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -4.681 -4.429 -1.728 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -3.149 -3.458 -3.499 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -4.573 -2.988 -4.406 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -5.342 -1.567 -2.560 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -4.030 -2.121 -1.539 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -3.748 0.095 -2.723 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.449 -0.995 -2.817 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -3.495 -0.804 -4.141 1.00 6.86 H new ATOM 114 N THR A 7 -4.395 -4.048 -6.651 1.00 3.27 N ATOM 115 CA THR A 7 -3.426 -3.381 -7.519 1.00 2.97 C ATOM 116 C THR A 7 -2.694 -2.274 -6.761 1.00 3.21 C ATOM 117 O THR A 7 -2.931 -2.061 -5.574 1.00 3.79 O ATOM 118 CB THR A 7 -4.108 -2.767 -8.758 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.029 -1.748 -8.353 1.00 3.78 O ATOM 120 CG2 THR A 7 -4.841 -3.834 -9.560 1.00 3.68 C ATOM 0 H THR A 7 -5.345 -3.683 -6.724 1.00 3.27 H new ATOM 0 HA THR A 7 -2.714 -4.139 -7.844 1.00 2.97 H new ATOM 0 HB THR A 7 -3.336 -2.329 -9.391 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.765 -2.154 -7.849 1.00 3.78 H new ATOM 0 HG21 THR A 7 -5.314 -3.376 -10.429 1.00 3.68 H new ATOM 0 HG22 THR A 7 -4.131 -4.592 -9.891 1.00 3.68 H new ATOM 0 HG23 THR A 7 -5.604 -4.299 -8.935 1.00 3.68 H new ATOM 128 N LEU A 8 -1.805 -1.569 -7.452 1.00 3.26 N ATOM 129 CA LEU A 8 -1.039 -0.486 -6.837 1.00 3.74 C ATOM 130 C LEU A 8 -1.803 0.838 -6.874 1.00 4.78 C ATOM 131 O LEU A 8 -1.399 1.810 -6.233 1.00 5.48 O ATOM 132 CB LEU A 8 0.322 -0.339 -7.530 1.00 3.85 C ATOM 133 CG LEU A 8 0.287 -0.304 -9.065 1.00 3.89 C ATOM 134 CD1 LEU A 8 -0.282 1.015 -9.569 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.680 -0.539 -9.636 1.00 4.09 C ATOM 0 H LEU A 8 -1.596 -1.726 -8.438 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.880 -0.744 -5.790 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.793 0.577 -7.175 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.959 -1.167 -7.218 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.368 -1.106 -9.406 1.00 3.89 H new ATOM 0 HD11 LEU A 8 -0.295 1.013 -10.659 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -1.298 1.140 -9.194 1.00 4.36 H new ATOM 0 HD13 LEU A 8 0.339 1.838 -9.215 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.636 -0.511 -10.725 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.355 0.239 -9.280 1.00 4.09 H new ATOM 0 HD23 LEU A 8 2.046 -1.513 -9.313 1.00 4.09 H new ATOM 147 N THR A 9 -2.902 0.871 -7.624 1.00 5.08 N ATOM 148 CA THR A 9 -3.721 2.077 -7.736 1.00 6.24 C ATOM 149 C THR A 9 -4.909 2.014 -6.776 1.00 6.58 C ATOM 150 O THR A 9 -5.908 2.712 -6.958 1.00 7.61 O ATOM 151 CB THR A 9 -4.226 2.282 -9.179 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.027 3.468 -9.262 1.00 5.90 O ATOM 153 CG2 THR A 9 -5.035 1.083 -9.654 1.00 7.65 C ATOM 0 H THR A 9 -3.247 0.077 -8.163 1.00 5.08 H new ATOM 0 HA THR A 9 -3.091 2.925 -7.469 1.00 6.24 H new ATOM 0 HB THR A 9 -3.355 2.388 -9.825 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.497 3.605 -8.413 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.378 1.256 -10.674 1.00 7.65 H new ATOM 0 HG22 THR A 9 -4.411 0.190 -9.628 1.00 7.65 H new ATOM 0 HG23 THR A 9 -5.896 0.943 -9.001 1.00 7.65 H new ATOM 161 N GLY A 10 -4.785 1.177 -5.748 1.00 5.95 N ATOM 162 CA GLY A 10 -5.850 1.033 -4.770 1.00 6.60 C ATOM 163 C GLY A 10 -7.081 0.363 -5.351 1.00 6.46 C ATOM 164 O GLY A 10 -8.149 0.375 -4.737 1.00 7.08 O ATOM 0 H GLY A 10 -3.965 0.596 -5.575 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.487 0.449 -3.924 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.122 2.016 -4.385 1.00 6.60 H new ATOM 168 N LYS A 11 -6.929 -0.227 -6.537 1.00 5.81 N ATOM 169 CA LYS A 11 -8.040 -0.895 -7.210 1.00 5.70 C ATOM 170 C LYS A 11 -8.047 -2.398 -6.944 1.00 5.01 C ATOM 171 O LYS A 11 -7.164 -3.127 -7.396 1.00 4.26 O ATOM 172 CB LYS A 11 -7.983 -0.631 -8.718 1.00 5.63 C ATOM 173 CG LYS A 11 -9.215 -1.110 -9.478 1.00 5.81 C ATOM 174 CD LYS A 11 -10.479 -0.377 -9.044 1.00 6.13 C ATOM 175 CE LYS A 11 -10.355 1.129 -9.231 1.00 6.58 C ATOM 176 NZ LYS A 11 -9.982 1.487 -10.628 1.00 6.35 N ATOM 0 H LYS A 11 -6.048 -0.255 -7.050 1.00 5.81 H new ATOM 0 HA LYS A 11 -8.963 -0.482 -6.803 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -7.859 0.439 -8.885 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.101 -1.122 -9.129 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.061 -0.963 -10.547 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -9.345 -2.180 -9.319 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -11.328 -0.746 -9.620 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -10.685 -0.597 -7.996 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -11.301 1.606 -8.974 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -9.605 1.520 -8.544 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -10.089 2.513 -10.764 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -8.994 1.215 -10.804 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -10.603 0.983 -11.293 1.00 6.35 H new ATOM 190 N THR A 12 -9.057 -2.847 -6.204 1.00 5.57 N ATOM 191 CA THR A 12 -9.218 -4.262 -5.880 1.00 5.50 C ATOM 192 C THR A 12 -10.330 -4.868 -6.728 1.00 5.42 C ATOM 193 O THR A 12 -11.467 -4.397 -6.695 1.00 6.02 O ATOM 194 CB THR A 12 -9.564 -4.463 -4.392 1.00 6.58 C ATOM 195 OG1 THR A 12 -10.674 -3.633 -4.029 1.00 6.95 O ATOM 196 CG2 THR A 12 -8.372 -4.137 -3.507 1.00 6.85 C ATOM 0 H THR A 12 -9.783 -2.245 -5.814 1.00 5.57 H new ATOM 0 HA THR A 12 -8.270 -4.757 -6.091 1.00 5.50 H new ATOM 0 HB THR A 12 -9.829 -5.510 -4.245 1.00 6.58 H new ATOM 0 HG1 THR A 12 -11.246 -3.492 -4.812 1.00 6.95 H new ATOM 0 HG21 THR A 12 -8.643 -4.287 -2.462 1.00 6.85 H new ATOM 0 HG22 THR A 12 -7.539 -4.791 -3.763 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.078 -3.099 -3.660 1.00 6.85 H new ATOM 204 N ILE A 13 -10.001 -5.908 -7.489 1.00 4.88 N ATOM 205 CA ILE A 13 -10.985 -6.564 -8.345 1.00 5.00 C ATOM 206 C ILE A 13 -11.243 -7.996 -7.888 1.00 5.65 C ATOM 207 O ILE A 13 -10.325 -8.700 -7.464 1.00 5.97 O ATOM 208 CB ILE A 13 -10.544 -6.571 -9.825 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.212 -7.310 -9.992 1.00 4.64 C ATOM 210 CG2 ILE A 13 -10.433 -5.145 -10.349 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.850 -7.586 -11.436 1.00 5.04 C ATOM 0 H ILE A 13 -9.066 -6.313 -7.531 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.906 -5.988 -8.261 1.00 5.00 H new ATOM 0 HB ILE A 13 -11.300 -7.099 -10.407 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -8.419 -6.720 -9.533 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.260 -8.255 -9.451 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.121 -5.164 -11.393 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.401 -4.651 -10.268 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -9.697 -4.597 -9.761 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -7.896 -8.111 -11.478 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -9.624 -8.202 -11.894 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.769 -6.643 -11.977 1.00 5.04 H new ATOM 223 N THR A 14 -12.500 -8.417 -7.975 1.00 6.06 N ATOM 224 CA THR A 14 -12.886 -9.767 -7.578 1.00 6.90 C ATOM 225 C THR A 14 -12.726 -10.729 -8.747 1.00 7.04 C ATOM 226 O THR A 14 -13.119 -10.418 -9.872 1.00 6.70 O ATOM 227 CB THR A 14 -14.341 -9.817 -7.073 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.226 -9.287 -8.067 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.494 -9.029 -5.779 1.00 8.28 C ATOM 0 H THR A 14 -13.270 -7.842 -8.317 1.00 6.06 H new ATOM 0 HA THR A 14 -12.228 -10.066 -6.762 1.00 6.90 H new ATOM 0 HB THR A 14 -14.597 -10.859 -6.878 1.00 7.48 H new ATOM 0 HG1 THR A 14 -16.148 -9.325 -7.737 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.530 -9.079 -5.443 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.843 -9.454 -5.015 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.219 -7.989 -5.952 1.00 8.28 H new ATOM 237 N LEU A 15 -12.148 -11.895 -8.479 1.00 7.82 N ATOM 238 CA LEU A 15 -11.927 -12.899 -9.512 1.00 8.34 C ATOM 239 C LEU A 15 -12.336 -14.281 -9.012 1.00 9.47 C ATOM 240 O LEU A 15 -12.194 -14.591 -7.831 1.00 10.02 O ATOM 241 CB LEU A 15 -10.455 -12.913 -9.930 1.00 8.35 C ATOM 242 CG LEU A 15 -10.176 -13.495 -11.318 1.00 8.95 C ATOM 243 CD1 LEU A 15 -10.484 -12.471 -12.401 1.00 8.50 C ATOM 244 CD2 LEU A 15 -8.734 -13.968 -11.414 1.00 9.28 C ATOM 0 H LEU A 15 -11.823 -12.168 -7.551 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.541 -12.643 -10.376 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.076 -11.892 -9.899 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -9.890 -13.485 -9.194 1.00 8.35 H new ATOM 0 HG LEU A 15 -10.829 -14.354 -11.471 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -10.279 -12.904 -13.380 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -11.534 -12.185 -12.343 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -9.859 -11.589 -12.256 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -8.551 -14.379 -12.407 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.063 -13.127 -11.240 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -8.553 -14.738 -10.664 1.00 9.28 H new ATOM 256 N GLU A 16 -12.843 -15.107 -9.920 1.00 9.94 N ATOM 257 CA GLU A 16 -13.277 -16.459 -9.580 1.00 11.04 C ATOM 258 C GLU A 16 -12.238 -17.484 -10.032 1.00 11.87 C ATOM 259 O GLU A 16 -11.786 -17.458 -11.176 1.00 12.00 O ATOM 260 CB GLU A 16 -14.633 -16.742 -10.238 1.00 11.14 C ATOM 261 CG GLU A 16 -15.082 -18.193 -10.149 1.00 10.90 C ATOM 262 CD GLU A 16 -15.055 -18.730 -8.732 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.734 -18.148 -7.860 1.00 12.19 O ATOM 264 OE2 GLU A 16 -14.358 -19.733 -8.498 1.00 11.47 O ATOM 0 H GLU A 16 -12.964 -14.863 -10.903 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.382 -16.539 -8.498 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.389 -16.111 -9.771 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -14.581 -16.454 -11.288 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -16.093 -18.281 -10.547 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -14.438 -18.807 -10.778 1.00 10.90 H new ATOM 271 N VAL A 17 -11.872 -18.387 -9.125 1.00 12.56 N ATOM 272 CA VAL A 17 -10.877 -19.415 -9.416 1.00 13.49 C ATOM 273 C VAL A 17 -11.093 -20.663 -8.563 1.00 14.65 C ATOM 274 O VAL A 17 -12.071 -20.768 -7.825 1.00 14.73 O ATOM 275 CB VAL A 17 -9.444 -18.891 -9.169 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.096 -17.771 -10.140 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.287 -18.424 -7.727 1.00 12.71 C ATOM 0 H VAL A 17 -12.252 -18.427 -8.179 1.00 12.56 H new ATOM 0 HA VAL A 17 -10.996 -19.674 -10.468 1.00 13.49 H new ATOM 0 HB VAL A 17 -8.748 -19.712 -9.343 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.083 -17.421 -9.944 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -9.160 -18.143 -11.163 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -9.796 -16.946 -10.010 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.272 -18.058 -7.571 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.997 -17.622 -7.525 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -9.480 -19.257 -7.052 1.00 12.71 H new ATOM 287 N GLU A 18 -10.162 -21.603 -8.676 1.00 15.63 N ATOM 288 CA GLU A 18 -10.211 -22.853 -7.924 1.00 16.83 C ATOM 289 C GLU A 18 -8.806 -23.195 -7.434 1.00 17.34 C ATOM 290 O GLU A 18 -7.825 -22.900 -8.116 1.00 16.99 O ATOM 291 CB GLU A 18 -10.752 -23.995 -8.790 1.00 17.72 C ATOM 292 CG GLU A 18 -12.191 -23.797 -9.252 1.00 17.49 C ATOM 293 CD GLU A 18 -12.343 -22.672 -10.261 1.00 17.64 C ATOM 294 OE1 GLU A 18 -11.502 -22.579 -11.182 1.00 16.92 O ATOM 295 OE2 GLU A 18 -13.302 -21.882 -10.132 1.00 18.57 O ATOM 0 H GLU A 18 -9.352 -21.521 -9.291 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.883 -22.727 -7.075 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -10.113 -24.107 -9.666 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.687 -24.926 -8.227 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -12.556 -24.725 -9.693 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.819 -23.588 -8.386 1.00 17.49 H new ATOM 302 N PRO A 19 -8.682 -23.809 -6.248 1.00 18.22 N ATOM 303 CA PRO A 19 -7.376 -24.177 -5.687 1.00 18.80 C ATOM 304 C PRO A 19 -6.509 -24.962 -6.674 1.00 19.40 C ATOM 305 O PRO A 19 -5.283 -24.980 -6.557 1.00 19.49 O ATOM 306 CB PRO A 19 -7.739 -25.050 -4.484 1.00 19.89 C ATOM 307 CG PRO A 19 -9.107 -24.607 -4.089 1.00 19.55 C ATOM 308 CD PRO A 19 -9.796 -24.193 -5.360 1.00 18.79 C ATOM 0 HA PRO A 19 -6.784 -23.298 -5.433 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.726 -26.108 -4.745 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -7.029 -24.914 -3.668 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.650 -25.413 -3.596 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -9.059 -23.777 -3.384 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.383 -25.009 -5.782 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.481 -23.361 -5.193 1.00 18.79 H new ATOM 316 N SER A 20 -7.156 -25.605 -7.646 1.00 19.87 N ATOM 317 CA SER A 20 -6.451 -26.402 -8.649 1.00 20.59 C ATOM 318 C SER A 20 -6.020 -25.554 -9.846 1.00 19.81 C ATOM 319 O SER A 20 -5.077 -25.907 -10.556 1.00 20.40 O ATOM 320 CB SER A 20 -7.342 -27.552 -9.123 1.00 21.46 C ATOM 321 OG SER A 20 -7.728 -28.379 -8.039 1.00 21.29 O ATOM 0 H SER A 20 -8.170 -25.589 -7.760 1.00 19.87 H new ATOM 0 HA SER A 20 -5.551 -26.802 -8.181 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.230 -27.151 -9.612 1.00 21.46 H new ATOM 0 HB3 SER A 20 -6.810 -28.146 -9.866 1.00 21.46 H new ATOM 0 HG SER A 20 -8.298 -29.105 -8.368 1.00 21.29 H new ATOM 327 N ASP A 21 -6.713 -24.439 -10.067 1.00 18.56 N ATOM 328 CA ASP A 21 -6.408 -23.542 -11.183 1.00 17.80 C ATOM 329 C ASP A 21 -4.933 -23.149 -11.203 1.00 17.76 C ATOM 330 O ASP A 21 -4.281 -23.090 -10.161 1.00 17.65 O ATOM 331 CB ASP A 21 -7.282 -22.287 -11.106 1.00 16.48 C ATOM 332 CG ASP A 21 -7.139 -21.406 -12.334 1.00 16.21 C ATOM 333 OD1 ASP A 21 -7.839 -21.665 -13.335 1.00 16.77 O ATOM 334 OD2 ASP A 21 -6.328 -20.459 -12.294 1.00 15.53 O ATOM 0 H ASP A 21 -7.493 -24.133 -9.486 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.624 -24.078 -12.107 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.326 -22.581 -10.992 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.014 -21.714 -10.218 1.00 16.48 H new ATOM 339 N THR A 22 -4.418 -22.875 -12.404 1.00 17.95 N ATOM 340 CA THR A 22 -3.020 -22.489 -12.581 1.00 18.00 C ATOM 341 C THR A 22 -2.869 -20.970 -12.649 1.00 16.68 C ATOM 342 O THR A 22 -3.693 -20.282 -13.248 1.00 15.89 O ATOM 343 CB THR A 22 -2.433 -23.109 -13.866 1.00 18.92 C ATOM 344 OG1 THR A 22 -2.868 -24.468 -13.995 1.00 19.12 O ATOM 345 CG2 THR A 22 -0.911 -23.068 -13.849 1.00 20.15 C ATOM 0 H THR A 22 -4.953 -22.914 -13.271 1.00 17.95 H new ATOM 0 HA THR A 22 -2.474 -22.864 -11.716 1.00 18.00 H new ATOM 0 HB THR A 22 -2.788 -22.524 -14.715 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.493 -24.855 -14.814 1.00 19.12 H new ATOM 0 HG21 THR A 22 -0.525 -23.512 -14.767 1.00 20.15 H new ATOM 0 HG22 THR A 22 -0.576 -22.033 -13.777 1.00 20.15 H new ATOM 0 HG23 THR A 22 -0.541 -23.630 -12.991 1.00 20.15 H new ATOM 353 N ILE A 23 -1.807 -20.458 -12.027 1.00 16.47 N ATOM 354 CA ILE A 23 -1.528 -19.025 -12.011 1.00 15.26 C ATOM 355 C ILE A 23 -1.600 -18.434 -13.416 1.00 15.04 C ATOM 356 O ILE A 23 -2.115 -17.333 -13.607 1.00 14.00 O ATOM 357 CB ILE A 23 -0.138 -18.734 -11.407 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.043 -19.297 -9.984 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.149 -17.239 -11.414 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.106 -18.768 -9.044 1.00 14.76 C ATOM 0 H ILE A 23 -1.121 -21.021 -11.524 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.291 -18.558 -11.389 1.00 15.26 H new ATOM 0 HB ILE A 23 0.614 -19.227 -12.023 1.00 15.26 H new ATOM 0 HG12 ILE A 23 -0.118 -20.384 -10.028 1.00 15.58 H new ATOM 0 HG13 ILE A 23 0.940 -19.062 -9.575 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.134 -17.056 -10.984 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.126 -16.869 -12.439 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.607 -16.721 -10.824 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -0.973 -19.212 -8.057 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -1.018 -17.684 -8.969 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -2.093 -19.027 -9.428 1.00 14.76 H new ATOM 372 N GLU A 24 -1.087 -19.174 -14.398 1.00 16.12 N ATOM 373 CA GLU A 24 -1.106 -18.719 -15.784 1.00 16.23 C ATOM 374 C GLU A 24 -2.537 -18.429 -16.222 1.00 15.75 C ATOM 375 O GLU A 24 -2.800 -17.440 -16.908 1.00 15.19 O ATOM 376 CB GLU A 24 -0.476 -19.769 -16.704 1.00 17.64 C ATOM 377 CG GLU A 24 -0.418 -19.346 -18.166 1.00 17.99 C ATOM 378 CD GLU A 24 0.265 -20.380 -19.041 1.00 19.37 C ATOM 379 OE1 GLU A 24 1.505 -20.318 -19.177 1.00 19.99 O ATOM 380 OE2 GLU A 24 -0.440 -21.254 -19.590 1.00 19.87 O ATOM 0 H GLU A 24 -0.655 -20.087 -14.259 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.521 -17.802 -15.854 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.535 -19.984 -16.357 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.044 -20.696 -16.625 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -1.430 -19.176 -18.532 1.00 17.99 H new ATOM 0 HG3 GLU A 24 0.114 -18.398 -18.246 1.00 17.99 H new ATOM 387 N ASN A 25 -3.457 -19.299 -15.814 1.00 16.04 N ATOM 388 CA ASN A 25 -4.867 -19.142 -16.146 1.00 15.65 C ATOM 389 C ASN A 25 -5.458 -17.945 -15.407 1.00 14.26 C ATOM 390 O ASN A 25 -6.319 -17.243 -15.936 1.00 13.66 O ATOM 391 CB ASN A 25 -5.646 -20.410 -15.786 1.00 16.38 C ATOM 392 CG ASN A 25 -5.053 -21.662 -16.407 1.00 16.31 C ATOM 393 OD1 ASN A 25 -5.100 -22.741 -15.818 1.00 16.31 O ATOM 394 ND2 ASN A 25 -4.494 -21.525 -17.605 1.00 16.35 N ATOM 0 H ASN A 25 -3.248 -20.123 -15.250 1.00 16.04 H new ATOM 0 HA ASN A 25 -4.948 -18.970 -17.219 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.667 -20.523 -14.702 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -6.680 -20.301 -16.115 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -4.082 -22.333 -18.071 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -4.477 -20.611 -18.058 1.00 16.35 H new ATOM 401 N VAL A 26 -4.992 -17.725 -14.177 1.00 13.80 N ATOM 402 CA VAL A 26 -5.468 -16.608 -13.367 1.00 12.52 C ATOM 403 C VAL A 26 -5.164 -15.281 -14.053 1.00 11.74 C ATOM 404 O VAL A 26 -6.018 -14.398 -14.122 1.00 10.85 O ATOM 405 CB VAL A 26 -4.822 -16.602 -11.962 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.344 -15.437 -11.132 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.068 -17.924 -11.249 1.00 13.28 C ATOM 0 H VAL A 26 -4.287 -18.305 -13.722 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.545 -16.733 -13.257 1.00 12.52 H new ATOM 0 HB VAL A 26 -3.746 -16.477 -12.084 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -4.876 -15.453 -10.148 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.106 -14.498 -11.632 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.425 -15.525 -11.021 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.605 -17.897 -10.263 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.141 -18.085 -11.142 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -4.635 -18.737 -11.831 1.00 13.28 H new ATOM 417 N LYS A 27 -3.939 -15.151 -14.560 1.00 12.21 N ATOM 418 CA LYS A 27 -3.518 -13.934 -15.244 1.00 11.77 C ATOM 419 C LYS A 27 -4.402 -13.660 -16.457 1.00 11.96 C ATOM 420 O LYS A 27 -4.721 -12.508 -16.757 1.00 11.29 O ATOM 421 CB LYS A 27 -2.055 -14.036 -15.673 1.00 12.57 C ATOM 422 CG LYS A 27 -1.080 -14.129 -14.510 1.00 12.29 C ATOM 423 CD LYS A 27 0.359 -13.988 -14.980 1.00 13.09 C ATOM 424 CE LYS A 27 1.346 -14.178 -13.838 1.00 12.80 C ATOM 425 NZ LYS A 27 1.048 -13.281 -12.690 1.00 13.67 N ATOM 0 H LYS A 27 -3.222 -15.875 -14.509 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.621 -13.103 -14.546 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -1.933 -14.913 -16.309 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -1.802 -13.166 -16.278 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.305 -13.350 -13.782 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.207 -15.085 -14.003 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.560 -14.722 -15.761 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.502 -13.003 -15.424 1.00 13.09 H new ATOM 0 HE2 LYS A 27 1.319 -15.215 -13.504 1.00 12.80 H new ATOM 0 HE3 LYS A 27 2.357 -13.985 -14.196 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 1.499 -13.655 -11.831 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 1.417 -12.329 -12.888 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 0.019 -13.230 -12.547 1.00 13.67 H new ATOM 439 N ALA A 28 -4.798 -14.726 -17.147 1.00 12.96 N ATOM 440 CA ALA A 28 -5.648 -14.602 -18.326 1.00 13.31 C ATOM 441 C ALA A 28 -7.070 -14.228 -17.931 1.00 12.36 C ATOM 442 O ALA A 28 -7.704 -13.398 -18.583 1.00 12.18 O ATOM 443 CB ALA A 28 -5.641 -15.900 -19.121 1.00 14.55 C ATOM 0 H ALA A 28 -4.544 -15.685 -16.910 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.249 -13.805 -18.954 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.279 -15.793 -19.998 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -4.623 -16.127 -19.439 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.015 -16.711 -18.497 1.00 14.55 H new ATOM 449 N LYS A 29 -7.564 -14.841 -16.856 1.00 11.88 N ATOM 450 CA LYS A 29 -8.908 -14.560 -16.369 1.00 11.02 C ATOM 451 C LYS A 29 -9.025 -13.074 -16.052 1.00 9.90 C ATOM 452 O LYS A 29 -10.037 -12.437 -16.347 1.00 9.41 O ATOM 453 CB LYS A 29 -9.217 -15.403 -15.127 1.00 10.98 C ATOM 454 CG LYS A 29 -10.694 -15.436 -14.752 1.00 12.12 C ATOM 455 CD LYS A 29 -11.536 -16.146 -15.807 1.00 12.25 C ATOM 456 CE LYS A 29 -11.166 -17.617 -15.932 1.00 13.42 C ATOM 457 NZ LYS A 29 -12.039 -18.327 -16.908 1.00 13.70 N ATOM 0 H LYS A 29 -7.053 -15.533 -16.309 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.633 -14.821 -17.139 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.873 -16.423 -15.298 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -8.647 -15.012 -14.284 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -10.813 -15.941 -13.793 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -11.058 -14.417 -14.623 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -12.591 -16.058 -15.549 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.401 -15.654 -16.770 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -10.125 -17.705 -16.245 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -11.247 -18.096 -14.956 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -11.755 -19.326 -16.965 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -13.029 -18.265 -16.597 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -11.943 -17.886 -17.845 1.00 13.70 H new ATOM 471 N ILE A 30 -7.968 -12.535 -15.447 1.00 9.57 N ATOM 472 CA ILE A 30 -7.910 -11.120 -15.105 1.00 8.57 C ATOM 473 C ILE A 30 -7.854 -10.265 -16.369 1.00 8.97 C ATOM 474 O ILE A 30 -8.457 -9.194 -16.434 1.00 8.49 O ATOM 475 CB ILE A 30 -6.692 -10.808 -14.208 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.860 -11.487 -12.844 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.517 -9.302 -14.042 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.623 -11.437 -11.974 1.00 8.06 C ATOM 0 H ILE A 30 -7.136 -13.063 -15.183 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.816 -10.879 -14.549 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.795 -11.200 -14.687 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.685 -11.012 -12.313 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -7.140 -12.529 -13.000 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.654 -9.104 -13.407 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.362 -8.844 -15.019 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.411 -8.880 -13.582 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.824 -11.938 -11.027 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.800 -11.938 -12.483 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.353 -10.398 -11.784 1.00 8.06 H new ATOM 490 N GLN A 31 -7.127 -10.753 -17.373 1.00 10.07 N ATOM 491 CA GLN A 31 -6.996 -10.046 -18.644 1.00 10.78 C ATOM 492 C GLN A 31 -8.354 -9.889 -19.320 1.00 10.96 C ATOM 493 O GLN A 31 -8.612 -8.895 -19.992 1.00 11.22 O ATOM 494 CB GLN A 31 -6.032 -10.796 -19.570 1.00 12.02 C ATOM 495 CG GLN A 31 -5.643 -10.013 -20.815 1.00 12.96 C ATOM 496 CD GLN A 31 -4.669 -10.770 -21.701 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.678 -12.000 -21.746 1.00 14.59 O ATOM 498 NE2 GLN A 31 -3.821 -10.035 -22.412 1.00 15.04 N ATOM 0 H GLN A 31 -6.619 -11.637 -17.330 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.595 -9.053 -18.442 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -5.129 -11.047 -19.013 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.492 -11.737 -19.873 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.541 -9.777 -21.387 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -5.196 -9.064 -20.518 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -3.848 -9.018 -22.345 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -3.143 -10.488 -23.025 1.00 15.04 H new ATOM 507 N ASP A 32 -9.222 -10.881 -19.143 1.00 10.94 N ATOM 508 CA ASP A 32 -10.556 -10.830 -19.731 1.00 11.14 C ATOM 509 C ASP A 32 -11.286 -9.572 -19.266 1.00 10.25 C ATOM 510 O ASP A 32 -12.163 -9.056 -19.960 1.00 10.60 O ATOM 511 CB ASP A 32 -11.362 -12.077 -19.361 1.00 11.35 C ATOM 512 CG ASP A 32 -10.837 -13.329 -20.037 1.00 11.58 C ATOM 513 OD1 ASP A 32 -11.105 -13.510 -21.243 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.157 -14.129 -19.362 1.00 12.47 O ATOM 0 H ASP A 32 -9.028 -11.723 -18.602 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.453 -10.800 -20.816 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.337 -12.214 -18.280 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -12.405 -11.928 -19.640 1.00 11.35 H new ATOM 519 N LYS A 33 -10.910 -9.085 -18.082 1.00 9.23 N ATOM 520 CA LYS A 33 -11.522 -7.891 -17.505 1.00 8.49 C ATOM 521 C LYS A 33 -10.670 -6.636 -17.709 1.00 8.32 C ATOM 522 O LYS A 33 -11.033 -5.760 -18.495 1.00 8.52 O ATOM 523 CB LYS A 33 -11.769 -8.104 -16.007 1.00 7.63 C ATOM 524 CG LYS A 33 -12.308 -9.485 -15.660 1.00 7.20 C ATOM 525 CD LYS A 33 -13.628 -9.770 -16.360 1.00 6.55 C ATOM 526 CE LYS A 33 -14.152 -11.156 -16.019 1.00 6.99 C ATOM 527 NZ LYS A 33 -13.206 -12.226 -16.440 1.00 6.67 N ATOM 0 H LYS A 33 -10.181 -9.503 -17.503 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.467 -7.733 -18.025 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -10.835 -7.944 -15.469 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.474 -7.351 -15.654 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -11.576 -10.242 -15.942 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -12.445 -9.561 -14.581 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -14.364 -9.020 -16.070 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -13.495 -9.685 -17.439 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.324 -11.225 -14.945 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -15.115 -11.310 -16.506 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -13.504 -13.134 -16.030 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -13.204 -12.299 -17.477 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -12.248 -11.993 -16.107 1.00 6.67 H new ATOM 541 N GLU A 34 -9.538 -6.548 -17.003 1.00 8.14 N ATOM 542 CA GLU A 34 -8.662 -5.376 -17.087 1.00 8.06 C ATOM 543 C GLU A 34 -7.880 -5.322 -18.399 1.00 9.21 C ATOM 544 O GLU A 34 -7.260 -4.304 -18.711 1.00 9.60 O ATOM 545 CB GLU A 34 -7.684 -5.363 -15.910 1.00 7.25 C ATOM 546 CG GLU A 34 -8.363 -5.325 -14.549 1.00 6.20 C ATOM 547 CD GLU A 34 -7.371 -5.205 -13.406 1.00 6.09 C ATOM 548 OE1 GLU A 34 -6.616 -6.172 -13.170 1.00 6.20 O ATOM 549 OE2 GLU A 34 -7.351 -4.145 -12.745 1.00 6.14 O ATOM 0 H GLU A 34 -9.207 -7.274 -16.368 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.305 -4.497 -17.050 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.051 -6.249 -15.966 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.029 -4.497 -16.003 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.054 -4.483 -14.515 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.956 -6.230 -14.417 1.00 6.20 H new ATOM 556 N GLY A 35 -7.910 -6.409 -19.164 1.00 9.92 N ATOM 557 CA GLY A 35 -7.190 -6.445 -20.429 1.00 11.11 C ATOM 558 C GLY A 35 -5.685 -6.313 -20.268 1.00 11.26 C ATOM 559 O GLY A 35 -4.962 -6.197 -21.259 1.00 12.20 O ATOM 0 H GLY A 35 -8.417 -7.263 -18.934 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -7.413 -7.382 -20.939 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.552 -5.640 -21.068 1.00 11.11 H new ATOM 563 N ILE A 36 -5.210 -6.335 -19.024 1.00 10.40 N ATOM 564 CA ILE A 36 -3.780 -6.213 -18.751 1.00 10.49 C ATOM 565 C ILE A 36 -3.033 -7.486 -19.157 1.00 11.27 C ATOM 566 O ILE A 36 -3.354 -8.577 -18.687 1.00 11.07 O ATOM 567 CB ILE A 36 -3.507 -5.918 -17.258 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.129 -7.001 -16.367 1.00 8.55 C ATOM 569 CG2 ILE A 36 -4.041 -4.542 -16.886 1.00 9.38 C ATOM 570 CD1 ILE A 36 -3.918 -6.763 -14.888 1.00 7.28 C ATOM 0 H ILE A 36 -5.792 -6.436 -18.192 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.416 -5.375 -19.345 1.00 10.49 H new ATOM 0 HB ILE A 36 -2.429 -5.926 -17.096 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.199 -7.056 -16.569 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -3.704 -7.968 -16.635 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -3.842 -4.347 -15.832 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -3.548 -3.784 -17.494 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -5.116 -4.508 -17.065 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -4.384 -7.568 -14.320 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -2.850 -6.738 -14.672 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -4.368 -5.811 -14.605 1.00 7.28 H new ATOM 582 N PRO A 37 -2.036 -7.366 -20.055 1.00 12.32 N ATOM 583 CA PRO A 37 -1.244 -8.514 -20.508 1.00 13.26 C ATOM 584 C PRO A 37 -0.623 -9.276 -19.336 1.00 12.81 C ATOM 585 O PRO A 37 -0.199 -8.671 -18.350 1.00 12.09 O ATOM 586 CB PRO A 37 -0.153 -7.883 -21.378 1.00 14.23 C ATOM 587 CG PRO A 37 -0.721 -6.579 -21.821 1.00 14.14 C ATOM 588 CD PRO A 37 -1.612 -6.111 -20.704 1.00 12.79 C ATOM 0 HA PRO A 37 -1.851 -9.246 -21.041 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.769 -7.741 -20.814 1.00 14.23 H new ATOM 0 HB3 PRO A 37 0.089 -8.518 -22.230 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.071 -5.856 -22.017 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -1.285 -6.694 -22.747 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.079 -5.460 -20.011 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.464 -5.545 -21.080 1.00 12.79 H new ATOM 596 N PRO A 38 -0.559 -10.617 -19.430 1.00 13.33 N ATOM 597 CA PRO A 38 0.006 -11.461 -18.369 1.00 13.21 C ATOM 598 C PRO A 38 1.515 -11.261 -18.190 1.00 13.55 C ATOM 599 O PRO A 38 2.057 -11.501 -17.110 1.00 13.14 O ATOM 600 CB PRO A 38 -0.291 -12.886 -18.846 1.00 14.22 C ATOM 601 CG PRO A 38 -0.442 -12.772 -20.324 1.00 14.34 C ATOM 602 CD PRO A 38 -1.031 -11.412 -20.578 1.00 14.21 C ATOM 0 HA PRO A 38 -0.425 -11.222 -17.397 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.518 -13.567 -18.583 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.199 -13.276 -18.385 1.00 14.22 H new ATOM 0 HG2 PRO A 38 0.521 -12.880 -20.824 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.092 -13.557 -20.711 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -0.687 -10.995 -21.524 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.120 -11.447 -20.622 1.00 14.21 H new ATOM 610 N ASP A 39 2.180 -10.821 -19.256 1.00 14.37 N ATOM 611 CA ASP A 39 3.629 -10.603 -19.239 1.00 14.81 C ATOM 612 C ASP A 39 4.050 -9.477 -18.297 1.00 13.75 C ATOM 613 O ASP A 39 5.192 -9.444 -17.833 1.00 13.74 O ATOM 614 CB ASP A 39 4.126 -10.293 -20.653 1.00 15.96 C ATOM 615 CG ASP A 39 3.390 -9.121 -21.279 1.00 16.45 C ATOM 616 OD1 ASP A 39 3.716 -7.964 -20.939 1.00 16.96 O ATOM 617 OD2 ASP A 39 2.485 -9.362 -22.106 1.00 16.42 O ATOM 0 H ASP A 39 1.737 -10.607 -20.149 1.00 14.37 H new ATOM 0 HA ASP A 39 4.081 -11.523 -18.868 1.00 14.81 H new ATOM 0 HB2 ASP A 39 5.193 -10.073 -20.621 1.00 15.96 H new ATOM 0 HB3 ASP A 39 4.001 -11.175 -21.281 1.00 15.96 H new ATOM 622 N GLN A 40 3.132 -8.565 -18.017 1.00 12.90 N ATOM 623 CA GLN A 40 3.414 -7.439 -17.130 1.00 11.90 C ATOM 624 C GLN A 40 2.691 -7.644 -15.812 1.00 10.64 C ATOM 625 O GLN A 40 2.863 -6.877 -14.863 1.00 9.67 O ATOM 626 CB GLN A 40 2.982 -6.121 -17.777 1.00 11.91 C ATOM 627 CG GLN A 40 1.523 -6.097 -18.207 1.00 13.23 C ATOM 628 CD GLN A 40 1.113 -4.759 -18.788 1.00 13.45 C ATOM 629 OE1 GLN A 40 1.243 -4.525 -19.989 1.00 14.45 O ATOM 630 NE2 GLN A 40 0.615 -3.871 -17.935 1.00 12.63 N ATOM 0 H GLN A 40 2.183 -8.580 -18.390 1.00 12.90 H new ATOM 0 HA GLN A 40 4.488 -7.389 -16.948 1.00 11.90 H new ATOM 0 HB2 GLN A 40 3.157 -5.307 -17.073 1.00 11.91 H new ATOM 0 HB3 GLN A 40 3.611 -5.931 -18.647 1.00 11.91 H new ATOM 0 HG2 GLN A 40 1.352 -6.879 -18.947 1.00 13.23 H new ATOM 0 HG3 GLN A 40 0.891 -6.327 -17.349 1.00 13.23 H new ATOM 0 HE21 GLN A 40 0.525 -4.108 -16.947 1.00 12.63 H new ATOM 0 HE22 GLN A 40 0.322 -2.952 -18.268 1.00 12.63 H new ATOM 639 N GLN A 41 1.881 -8.699 -15.767 1.00 10.76 N ATOM 640 CA GLN A 41 1.118 -9.032 -14.583 1.00 9.79 C ATOM 641 C GLN A 41 1.966 -9.823 -13.595 1.00 9.92 C ATOM 642 O GLN A 41 2.178 -11.023 -13.763 1.00 10.91 O ATOM 643 CB GLN A 41 -0.132 -9.824 -14.970 1.00 9.99 C ATOM 644 CG GLN A 41 -1.210 -9.820 -13.900 1.00 9.70 C ATOM 645 CD GLN A 41 -2.456 -10.577 -14.314 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.146 -11.155 -13.477 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.757 -10.572 -15.608 1.00 10.21 N ATOM 0 H GLN A 41 1.741 -9.339 -16.549 1.00 10.76 H new ATOM 0 HA GLN A 41 0.812 -8.105 -14.098 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.544 -9.410 -15.890 1.00 9.99 H new ATOM 0 HB3 GLN A 41 0.153 -10.854 -15.183 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -0.810 -10.261 -12.987 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.478 -8.790 -13.666 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.157 -10.079 -16.269 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.588 -11.061 -15.940 1.00 10.21 H new ATOM 656 N ARG A 42 2.457 -9.132 -12.574 1.00 9.04 N ATOM 657 CA ARG A 42 3.265 -9.761 -11.539 1.00 9.21 C ATOM 658 C ARG A 42 2.382 -10.015 -10.325 1.00 8.55 C ATOM 659 O ARG A 42 1.923 -9.077 -9.676 1.00 7.55 O ATOM 660 CB ARG A 42 4.460 -8.875 -11.158 1.00 8.92 C ATOM 661 CG ARG A 42 5.309 -9.430 -10.022 1.00 9.32 C ATOM 662 CD ARG A 42 5.972 -10.748 -10.395 1.00 8.97 C ATOM 663 NE ARG A 42 5.008 -11.842 -10.489 1.00 9.07 N ATOM 664 CZ ARG A 42 5.166 -12.907 -11.271 1.00 8.61 C ATOM 665 NH1 ARG A 42 6.255 -13.032 -12.020 1.00 8.06 N ATOM 666 NH2 ARG A 42 4.234 -13.848 -11.304 1.00 8.89 N ATOM 0 H ARG A 42 2.308 -8.132 -12.441 1.00 9.04 H new ATOM 0 HA ARG A 42 3.664 -10.704 -11.913 1.00 9.21 H new ATOM 0 HB2 ARG A 42 5.092 -8.738 -12.036 1.00 8.92 H new ATOM 0 HB3 ARG A 42 4.092 -7.889 -10.874 1.00 8.92 H new ATOM 0 HG2 ARG A 42 6.075 -8.702 -9.753 1.00 9.32 H new ATOM 0 HG3 ARG A 42 4.684 -9.575 -9.141 1.00 9.32 H new ATOM 0 HD2 ARG A 42 6.487 -10.637 -11.349 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.729 -10.996 -9.651 1.00 8.97 H new ATOM 0 HE ARG A 42 4.163 -11.786 -9.921 1.00 9.07 H new ATOM 0 HH11 ARG A 42 6.975 -12.310 -11.998 1.00 8.06 H new ATOM 0 HH12 ARG A 42 6.372 -13.850 -12.618 1.00 8.06 H new ATOM 0 HH21 ARG A 42 3.396 -13.756 -10.730 1.00 8.89 H new ATOM 0 HH22 ARG A 42 4.355 -14.665 -11.903 1.00 8.89 H new ATOM 680 N LEU A 43 2.150 -11.284 -10.018 1.00 9.27 N ATOM 681 CA LEU A 43 1.294 -11.645 -8.895 1.00 9.04 C ATOM 682 C LEU A 43 2.125 -11.988 -7.668 1.00 9.51 C ATOM 683 O LEU A 43 2.943 -12.904 -7.696 1.00 10.56 O ATOM 684 CB LEU A 43 0.387 -12.823 -9.265 1.00 9.79 C ATOM 685 CG LEU A 43 -0.765 -12.487 -10.219 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.550 -13.742 -10.573 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.686 -11.439 -9.604 1.00 8.15 C ATOM 0 H LEU A 43 2.540 -12.077 -10.527 1.00 9.27 H new ATOM 0 HA LEU A 43 0.669 -10.784 -8.658 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.998 -13.602 -9.720 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.031 -13.240 -8.349 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.340 -12.076 -11.134 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.363 -13.483 -11.251 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.889 -14.460 -11.057 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -1.961 -14.182 -9.665 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.497 -11.215 -10.297 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.101 -11.822 -8.672 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.119 -10.530 -9.403 1.00 8.15 H new ATOM 699 N ILE A 44 1.908 -11.234 -6.597 1.00 8.83 N ATOM 700 CA ILE A 44 2.621 -11.441 -5.344 1.00 9.35 C ATOM 701 C ILE A 44 1.681 -12.008 -4.286 1.00 9.75 C ATOM 702 O ILE A 44 0.538 -11.567 -4.160 1.00 9.11 O ATOM 703 CB ILE A 44 3.243 -10.127 -4.822 1.00 8.53 C ATOM 704 CG1 ILE A 44 4.032 -9.419 -5.932 1.00 8.20 C ATOM 705 CG2 ILE A 44 4.137 -10.401 -3.619 1.00 9.24 C ATOM 706 CD1 ILE A 44 5.046 -10.303 -6.627 1.00 9.33 C ATOM 0 H ILE A 44 1.237 -10.466 -6.573 1.00 8.83 H new ATOM 0 HA ILE A 44 3.425 -12.151 -5.540 1.00 9.35 H new ATOM 0 HB ILE A 44 2.434 -9.468 -4.507 1.00 8.53 H new ATOM 0 HG12 ILE A 44 3.331 -9.035 -6.673 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.547 -8.559 -5.505 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.567 -9.464 -3.264 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.547 -10.854 -2.823 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.938 -11.081 -3.908 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.561 -9.729 -7.397 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.771 -10.667 -5.899 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.536 -11.150 -7.086 1.00 9.33 H new ATOM 718 N PHE A 45 2.167 -12.987 -3.530 1.00 10.94 N ATOM 719 CA PHE A 45 1.366 -13.616 -2.486 1.00 11.61 C ATOM 720 C PHE A 45 2.251 -14.252 -1.421 1.00 12.55 C ATOM 721 O PHE A 45 3.198 -14.974 -1.735 1.00 13.34 O ATOM 722 CB PHE A 45 0.431 -14.669 -3.078 1.00 12.32 C ATOM 723 CG PHE A 45 -0.530 -15.234 -2.070 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.731 -14.596 -1.806 1.00 12.72 C ATOM 725 CD2 PHE A 45 -0.227 -16.396 -1.377 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.613 -15.106 -0.873 1.00 13.62 C ATOM 727 CE2 PHE A 45 -1.106 -16.911 -0.443 1.00 15.27 C ATOM 728 CZ PHE A 45 -2.300 -16.264 -0.190 1.00 14.88 C ATOM 0 H PHE A 45 3.111 -13.362 -3.621 1.00 10.94 H new ATOM 0 HA PHE A 45 0.767 -12.835 -2.018 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.132 -14.226 -3.900 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.026 -15.480 -3.499 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.981 -13.689 -2.336 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.706 -16.904 -1.569 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.547 -14.599 -0.678 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.860 -17.818 0.088 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.987 -16.663 0.541 1.00 14.88 H new ATOM 738 N ALA A 46 1.928 -13.977 -0.157 1.00 12.55 N ATOM 739 CA ALA A 46 2.676 -14.518 0.976 1.00 13.48 C ATOM 740 C ALA A 46 4.120 -14.016 0.997 1.00 13.42 C ATOM 741 O ALA A 46 4.924 -14.458 1.818 1.00 14.38 O ATOM 742 CB ALA A 46 2.644 -16.042 0.955 1.00 14.76 C ATOM 0 H ALA A 46 1.147 -13.378 0.108 1.00 12.55 H new ATOM 0 HA ALA A 46 2.192 -14.164 1.887 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.205 -16.429 1.805 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.611 -16.385 1.016 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.092 -16.403 0.029 1.00 14.76 H new ATOM 748 N GLY A 47 4.441 -13.091 0.094 1.00 12.34 N ATOM 749 CA GLY A 47 5.786 -12.542 0.033 1.00 12.25 C ATOM 750 C GLY A 47 6.589 -13.070 -1.141 1.00 12.73 C ATOM 751 O GLY A 47 7.723 -12.643 -1.361 1.00 12.99 O ATOM 0 H GLY A 47 3.793 -12.712 -0.597 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.726 -11.456 -0.034 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.310 -12.776 0.959 1.00 12.25 H new ATOM 755 N LYS A 48 6.004 -14.003 -1.890 1.00 12.95 N ATOM 756 CA LYS A 48 6.669 -14.593 -3.050 1.00 13.60 C ATOM 757 C LYS A 48 5.838 -14.382 -4.312 1.00 12.95 C ATOM 758 O LYS A 48 4.614 -14.279 -4.249 1.00 12.25 O ATOM 759 CB LYS A 48 6.908 -16.089 -2.821 1.00 14.88 C ATOM 760 CG LYS A 48 7.648 -16.779 -3.960 1.00 15.77 C ATOM 761 CD LYS A 48 9.008 -16.145 -4.213 1.00 16.95 C ATOM 762 CE LYS A 48 9.721 -16.802 -5.383 1.00 16.96 C ATOM 763 NZ LYS A 48 11.032 -16.155 -5.668 1.00 17.08 N ATOM 0 H LYS A 48 5.068 -14.367 -1.713 1.00 12.95 H new ATOM 0 HA LYS A 48 7.631 -14.098 -3.182 1.00 13.60 H new ATOM 0 HB2 LYS A 48 7.477 -16.219 -1.900 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.947 -16.582 -2.674 1.00 14.88 H new ATOM 0 HG2 LYS A 48 7.777 -17.835 -3.723 1.00 15.77 H new ATOM 0 HG3 LYS A 48 7.048 -16.727 -4.868 1.00 15.77 H new ATOM 0 HD2 LYS A 48 8.883 -15.081 -4.413 1.00 16.95 H new ATOM 0 HD3 LYS A 48 9.623 -16.230 -3.317 1.00 16.95 H new ATOM 0 HE2 LYS A 48 9.877 -17.859 -5.166 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.089 -16.749 -6.270 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 11.487 -16.632 -6.473 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 10.881 -15.152 -5.900 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 11.645 -16.228 -4.831 1.00 17.08 H new ATOM 777 N GLN A 49 6.510 -14.329 -5.460 1.00 13.28 N ATOM 778 CA GLN A 49 5.824 -14.128 -6.733 1.00 12.91 C ATOM 779 C GLN A 49 5.247 -15.443 -7.244 1.00 13.82 C ATOM 780 O GLN A 49 5.980 -16.407 -7.470 1.00 14.97 O ATOM 781 CB GLN A 49 6.771 -13.523 -7.775 1.00 13.03 C ATOM 782 CG GLN A 49 8.101 -14.249 -7.904 1.00 12.43 C ATOM 783 CD GLN A 49 8.901 -13.786 -9.106 1.00 12.64 C ATOM 784 OE1 GLN A 49 8.804 -14.360 -10.191 1.00 12.65 O ATOM 785 NE2 GLN A 49 9.687 -12.733 -8.922 1.00 12.96 N ATOM 0 H GLN A 49 7.523 -14.422 -5.534 1.00 13.28 H new ATOM 0 HA GLN A 49 5.005 -13.428 -6.568 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.274 -13.523 -8.745 1.00 13.03 H new ATOM 0 HB3 GLN A 49 6.962 -12.482 -7.515 1.00 13.03 H new ATOM 0 HG2 GLN A 49 8.687 -14.091 -6.999 1.00 12.43 H new ATOM 0 HG3 GLN A 49 7.920 -15.321 -7.983 1.00 12.43 H new ATOM 0 HE21 GLN A 49 9.737 -12.288 -8.006 1.00 12.96 H new ATOM 0 HE22 GLN A 49 10.241 -12.369 -9.697 1.00 12.96 H new ATOM 794 N LEU A 50 3.928 -15.481 -7.417 1.00 13.33 N ATOM 795 CA LEU A 50 3.254 -16.677 -7.902 1.00 14.13 C ATOM 796 C LEU A 50 3.813 -17.092 -9.258 1.00 14.81 C ATOM 797 O LEU A 50 3.899 -16.277 -10.178 1.00 14.27 O ATOM 798 CB LEU A 50 1.747 -16.432 -8.006 1.00 13.38 C ATOM 799 CG LEU A 50 1.057 -16.058 -6.691 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.437 -15.854 -6.905 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.307 -17.127 -5.638 1.00 13.76 C ATOM 0 H LEU A 50 3.306 -14.695 -7.228 1.00 13.33 H new ATOM 0 HA LEU A 50 3.431 -17.484 -7.191 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.573 -15.635 -8.729 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.275 -17.331 -8.403 1.00 13.38 H new ATOM 0 HG LEU A 50 1.480 -15.118 -6.336 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.907 -15.589 -5.958 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.595 -15.052 -7.626 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.879 -16.775 -7.285 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.810 -16.846 -4.709 1.00 13.76 H new ATOM 0 HD22 LEU A 50 0.912 -18.081 -5.987 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.379 -17.221 -5.462 1.00 13.76 H new ATOM 813 N GLU A 51 4.192 -18.360 -9.376 1.00 16.07 N ATOM 814 CA GLU A 51 4.743 -18.873 -10.624 1.00 16.92 C ATOM 815 C GLU A 51 3.614 -19.205 -11.595 1.00 17.12 C ATOM 816 O GLU A 51 2.700 -19.957 -11.262 1.00 17.35 O ATOM 817 CB GLU A 51 5.603 -20.114 -10.371 1.00 18.22 C ATOM 818 CG GLU A 51 6.314 -20.623 -11.617 1.00 19.07 C ATOM 819 CD GLU A 51 7.193 -21.832 -11.344 1.00 20.22 C ATOM 820 OE1 GLU A 51 8.081 -21.737 -10.471 1.00 20.40 O ATOM 821 OE2 GLU A 51 6.994 -22.872 -12.006 1.00 21.00 O ATOM 0 H GLU A 51 4.128 -19.048 -8.626 1.00 16.07 H new ATOM 0 HA GLU A 51 5.377 -18.102 -11.063 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.346 -19.882 -9.607 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.972 -20.908 -9.972 1.00 18.22 H new ATOM 0 HG2 GLU A 51 5.572 -20.883 -12.372 1.00 19.07 H new ATOM 0 HG3 GLU A 51 6.925 -19.822 -12.033 1.00 19.07 H new ATOM 828 N ASP A 52 3.685 -18.623 -12.784 1.00 17.11 N ATOM 829 CA ASP A 52 2.676 -18.832 -13.819 1.00 17.32 C ATOM 830 C ASP A 52 2.367 -20.317 -14.050 1.00 18.50 C ATOM 831 O ASP A 52 1.231 -20.675 -14.358 1.00 18.49 O ATOM 832 CB ASP A 52 3.139 -18.200 -15.134 1.00 17.56 C ATOM 833 CG ASP A 52 3.263 -16.689 -15.047 1.00 16.47 C ATOM 834 OD1 ASP A 52 3.979 -16.199 -14.147 1.00 16.20 O ATOM 835 OD2 ASP A 52 2.651 -15.997 -15.886 1.00 15.96 O ATOM 0 H ASP A 52 4.440 -17.995 -13.060 1.00 17.11 H new ATOM 0 HA ASP A 52 1.760 -18.355 -13.471 1.00 17.32 H new ATOM 0 HB2 ASP A 52 4.103 -18.624 -15.416 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.434 -18.458 -15.924 1.00 17.56 H new ATOM 840 N GLY A 53 3.370 -21.178 -13.889 1.00 19.52 N ATOM 841 CA GLY A 53 3.177 -22.604 -14.129 1.00 20.72 C ATOM 842 C GLY A 53 2.707 -23.403 -12.919 1.00 20.81 C ATOM 843 O GLY A 53 2.615 -24.629 -12.992 1.00 21.79 O ATOM 0 H GLY A 53 4.312 -20.917 -13.597 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.450 -22.727 -14.931 1.00 20.72 H new ATOM 0 HA3 GLY A 53 4.117 -23.028 -14.483 1.00 20.72 H new ATOM 847 N ARG A 54 2.402 -22.728 -11.813 1.00 19.86 N ATOM 848 CA ARG A 54 1.944 -23.411 -10.598 1.00 20.02 C ATOM 849 C ARG A 54 0.448 -23.224 -10.384 1.00 19.36 C ATOM 850 O ARG A 54 -0.198 -22.476 -11.107 1.00 18.53 O ATOM 851 CB ARG A 54 2.714 -22.897 -9.375 1.00 19.57 C ATOM 852 CG ARG A 54 3.904 -23.760 -8.977 1.00 20.34 C ATOM 853 CD ARG A 54 4.898 -23.923 -10.115 1.00 21.73 C ATOM 854 NE ARG A 54 4.536 -25.022 -11.011 1.00 22.50 N ATOM 855 CZ ARG A 54 5.411 -25.876 -11.537 1.00 23.45 C ATOM 856 NH1 ARG A 54 6.706 -25.764 -11.268 1.00 23.75 N ATOM 857 NH2 ARG A 54 4.990 -26.847 -12.335 1.00 24.16 N ATOM 0 H ARG A 54 2.462 -21.713 -11.730 1.00 19.86 H new ATOM 0 HA ARG A 54 2.138 -24.476 -10.725 1.00 20.02 H new ATOM 0 HB2 ARG A 54 3.066 -21.886 -9.580 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.029 -22.831 -8.530 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.406 -23.312 -8.119 1.00 20.34 H new ATOM 0 HG3 ARG A 54 3.550 -24.742 -8.662 1.00 20.34 H new ATOM 0 HD2 ARG A 54 4.952 -22.995 -10.684 1.00 21.73 H new ATOM 0 HD3 ARG A 54 5.892 -24.103 -9.705 1.00 21.73 H new ATOM 0 HE ARG A 54 3.551 -25.141 -11.247 1.00 22.50 H new ATOM 0 HH11 ARG A 54 7.037 -25.020 -10.654 1.00 23.75 H new ATOM 0 HH12 ARG A 54 7.370 -26.422 -11.675 1.00 23.75 H new ATOM 0 HH21 ARG A 54 3.996 -26.939 -12.546 1.00 24.16 H new ATOM 0 HH22 ARG A 54 5.660 -27.502 -12.739 1.00 24.16 H new ATOM 871 N THR A 55 -0.094 -23.923 -9.388 1.00 19.79 N ATOM 872 CA THR A 55 -1.516 -23.830 -9.061 1.00 19.31 C ATOM 873 C THR A 55 -1.715 -23.103 -7.737 1.00 18.56 C ATOM 874 O THR A 55 -0.811 -23.056 -6.905 1.00 18.57 O ATOM 875 CB THR A 55 -2.177 -25.221 -8.973 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.649 -25.950 -7.859 1.00 21.36 O ATOM 877 CG2 THR A 55 -1.954 -26.012 -10.253 1.00 21.11 C ATOM 0 H THR A 55 0.432 -24.562 -8.792 1.00 19.79 H new ATOM 0 HA THR A 55 -1.990 -23.270 -9.867 1.00 19.31 H new ATOM 0 HB THR A 55 -3.249 -25.076 -8.836 1.00 20.43 H new ATOM 0 HG1 THR A 55 -0.775 -25.582 -7.611 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.430 -26.989 -10.165 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.387 -25.472 -11.095 1.00 21.11 H new ATOM 0 HG23 THR A 55 -0.885 -26.143 -10.418 1.00 21.11 H new ATOM 885 N LEU A 56 -2.894 -22.514 -7.563 1.00 17.96 N ATOM 886 CA LEU A 56 -3.222 -21.792 -6.337 1.00 17.35 C ATOM 887 C LEU A 56 -3.009 -22.659 -5.092 1.00 18.41 C ATOM 888 O LEU A 56 -2.940 -22.144 -3.975 1.00 18.24 O ATOM 889 CB LEU A 56 -4.668 -21.293 -6.394 1.00 16.66 C ATOM 890 CG LEU A 56 -4.940 -20.226 -7.462 1.00 15.55 C ATOM 891 CD1 LEU A 56 -6.432 -19.976 -7.604 1.00 14.99 C ATOM 892 CD2 LEU A 56 -4.213 -18.931 -7.124 1.00 14.57 C ATOM 0 H LEU A 56 -3.641 -22.522 -8.258 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.547 -20.939 -6.262 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.324 -22.144 -6.576 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -4.936 -20.887 -5.419 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.562 -20.595 -8.415 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -6.603 -19.216 -8.366 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -6.930 -20.901 -7.896 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -6.835 -19.632 -6.652 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -4.419 -18.187 -7.893 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -4.559 -18.561 -6.159 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -3.140 -19.118 -7.077 1.00 14.57 H new ATOM 904 N SER A 57 -2.902 -23.973 -5.290 1.00 19.54 N ATOM 905 CA SER A 57 -2.696 -24.904 -4.181 1.00 20.67 C ATOM 906 C SER A 57 -1.238 -24.918 -3.724 1.00 21.10 C ATOM 907 O SER A 57 -0.945 -25.230 -2.569 1.00 21.74 O ATOM 908 CB SER A 57 -3.120 -26.316 -4.591 1.00 21.76 C ATOM 909 OG SER A 57 -2.932 -27.237 -3.530 1.00 21.61 O ATOM 0 H SER A 57 -2.955 -24.416 -6.207 1.00 19.54 H new ATOM 0 HA SER A 57 -3.311 -24.565 -3.347 1.00 20.67 H new ATOM 0 HB2 SER A 57 -4.168 -26.311 -4.890 1.00 21.76 H new ATOM 0 HB3 SER A 57 -2.542 -26.634 -5.459 1.00 21.76 H new ATOM 0 HG SER A 57 -3.212 -28.131 -3.819 1.00 21.61 H new ATOM 915 N ASP A 58 -0.329 -24.577 -4.635 1.00 20.79 N ATOM 916 CA ASP A 58 1.098 -24.553 -4.325 1.00 21.19 C ATOM 917 C ASP A 58 1.399 -23.521 -3.244 1.00 20.53 C ATOM 918 O ASP A 58 2.251 -23.741 -2.383 1.00 21.09 O ATOM 919 CB ASP A 58 1.919 -24.254 -5.582 1.00 20.98 C ATOM 920 CG ASP A 58 1.943 -25.424 -6.546 1.00 22.06 C ATOM 921 OD1 ASP A 58 0.929 -25.642 -7.237 1.00 21.87 O ATOM 922 OD2 ASP A 58 2.976 -26.122 -6.608 1.00 23.14 O ATOM 0 H ASP A 58 -0.556 -24.314 -5.594 1.00 20.79 H new ATOM 0 HA ASP A 58 1.378 -25.538 -3.952 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.504 -23.380 -6.085 1.00 20.98 H new ATOM 0 HB3 ASP A 58 2.940 -24.002 -5.295 1.00 20.98 H new ATOM 927 N TYR A 59 0.689 -22.393 -3.294 1.00 19.37 N ATOM 928 CA TYR A 59 0.878 -21.320 -2.324 1.00 18.69 C ATOM 929 C TYR A 59 -0.185 -21.351 -1.226 1.00 18.82 C ATOM 930 O TYR A 59 -0.315 -20.400 -0.454 1.00 18.30 O ATOM 931 CB TYR A 59 0.869 -19.966 -3.039 1.00 17.29 C ATOM 932 CG TYR A 59 2.038 -19.782 -3.985 1.00 17.19 C ATOM 933 CD1 TYR A 59 2.034 -20.367 -5.247 1.00 17.17 C ATOM 934 CD2 TYR A 59 3.145 -19.028 -3.614 1.00 17.22 C ATOM 935 CE1 TYR A 59 3.100 -20.206 -6.110 1.00 17.26 C ATOM 936 CE2 TYR A 59 4.214 -18.861 -4.475 1.00 17.25 C ATOM 937 CZ TYR A 59 4.187 -19.452 -5.720 1.00 17.30 C ATOM 938 OH TYR A 59 5.249 -19.289 -6.580 1.00 17.49 O ATOM 0 H TYR A 59 -0.023 -22.201 -3.999 1.00 19.37 H new ATOM 0 HA TYR A 59 1.845 -21.469 -1.843 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.061 -19.864 -3.598 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.883 -19.170 -2.295 1.00 17.29 H new ATOM 0 HD1 TYR A 59 1.184 -20.956 -5.557 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.171 -18.565 -2.638 1.00 17.22 H new ATOM 0 HE1 TYR A 59 3.083 -20.668 -7.086 1.00 17.26 H new ATOM 0 HE2 TYR A 59 5.066 -18.270 -4.173 1.00 17.25 H new ATOM 0 HH TYR A 59 5.377 -18.335 -6.765 1.00 17.49 H new ATOM 948 N ASN A 60 -0.941 -22.447 -1.157 1.00 19.61 N ATOM 949 CA ASN A 60 -1.982 -22.607 -0.140 1.00 19.94 C ATOM 950 C ASN A 60 -3.002 -21.467 -0.200 1.00 18.78 C ATOM 951 O ASN A 60 -3.632 -21.130 0.803 1.00 18.73 O ATOM 952 CB ASN A 60 -1.352 -22.676 1.255 1.00 20.73 C ATOM 953 CG ASN A 60 -0.332 -23.792 1.372 1.00 21.53 C ATOM 954 OD1 ASN A 60 0.851 -23.601 1.091 1.00 21.59 O ATOM 955 ND2 ASN A 60 -0.787 -24.968 1.791 1.00 22.24 N ATOM 0 H ASN A 60 -0.852 -23.239 -1.794 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.508 -23.540 -0.344 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.873 -21.724 1.482 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -2.136 -22.824 1.998 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -0.147 -25.756 1.891 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -1.776 -25.082 2.013 1.00 22.24 H new ATOM 962 N ILE A 61 -3.166 -20.884 -1.386 1.00 17.93 N ATOM 963 CA ILE A 61 -4.105 -19.783 -1.580 1.00 16.80 C ATOM 964 C ILE A 61 -5.553 -20.251 -1.448 1.00 17.14 C ATOM 965 O ILE A 61 -6.067 -20.962 -2.312 1.00 17.46 O ATOM 966 CB ILE A 61 -3.915 -19.115 -2.960 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.526 -18.483 -3.055 1.00 15.44 C ATOM 968 CG2 ILE A 61 -4.995 -18.067 -3.201 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.177 -17.986 -4.442 1.00 14.60 C ATOM 0 H ILE A 61 -2.659 -21.157 -2.228 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.894 -19.054 -0.798 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.003 -19.881 -3.731 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.467 -17.650 -2.355 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.781 -19.215 -2.743 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.845 -17.607 -4.178 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.976 -18.542 -3.170 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.938 -17.301 -2.427 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.178 -17.551 -4.432 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.203 -18.819 -5.144 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.899 -17.230 -4.750 1.00 14.60 H new ATOM 981 N GLN A 62 -6.202 -19.856 -0.352 1.00 17.17 N ATOM 982 CA GLN A 62 -7.596 -20.217 -0.108 1.00 17.56 C ATOM 983 C GLN A 62 -8.542 -19.121 -0.597 1.00 16.44 C ATOM 984 O GLN A 62 -8.102 -18.099 -1.124 1.00 15.35 O ATOM 985 CB GLN A 62 -7.822 -20.477 1.383 1.00 18.57 C ATOM 986 CG GLN A 62 -7.017 -21.648 1.925 1.00 19.77 C ATOM 987 CD GLN A 62 -7.241 -21.873 3.409 1.00 20.75 C ATOM 988 OE1 GLN A 62 -8.316 -21.588 3.939 1.00 21.49 O ATOM 989 NE2 GLN A 62 -6.223 -22.389 4.089 1.00 20.83 N ATOM 0 H GLN A 62 -5.782 -19.285 0.381 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.811 -21.128 -0.667 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.563 -19.579 1.943 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.882 -20.665 1.554 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -7.286 -22.553 1.379 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -5.957 -21.470 1.744 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -5.350 -22.610 3.610 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -6.314 -22.564 5.090 1.00 20.83 H new ATOM 998 N LYS A 63 -9.844 -19.340 -0.416 1.00 16.74 N ATOM 999 CA LYS A 63 -10.856 -18.375 -0.843 1.00 15.83 C ATOM 1000 C LYS A 63 -10.738 -17.060 -0.071 1.00 15.40 C ATOM 1001 O LYS A 63 -10.197 -17.021 1.034 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.258 -18.965 -0.666 1.00 16.42 C ATOM 1003 CG LYS A 63 -13.359 -18.134 -1.311 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.735 -18.731 -1.057 1.00 18.15 C ATOM 1005 CE LYS A 63 -15.841 -17.840 -1.602 1.00 19.19 C ATOM 1006 NZ LYS A 63 -17.190 -18.397 -1.318 1.00 18.86 N ATOM 0 H LYS A 63 -10.223 -20.179 0.024 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.687 -18.160 -1.898 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -12.276 -19.968 -1.091 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.468 -19.066 0.399 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -13.325 -17.118 -0.919 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -13.183 -18.068 -2.385 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.797 -19.715 -1.522 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.878 -18.875 0.014 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.758 -16.847 -1.161 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -15.716 -17.722 -2.678 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -17.917 -17.761 -1.705 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -17.279 -19.334 -1.760 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -17.320 -18.486 -0.290 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.251 -15.985 -0.674 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.221 -14.655 -0.065 1.00 13.93 C ATOM 1022 C GLU A 64 -9.791 -14.212 0.240 1.00 13.56 C ATOM 1023 O GLU A 64 -9.556 -13.431 1.163 1.00 13.53 O ATOM 1024 CB GLU A 64 -12.063 -14.629 1.218 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.526 -14.986 1.001 1.00 15.11 C ATOM 1026 CD GLU A 64 -14.164 -14.184 -0.118 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -14.113 -14.640 -1.279 1.00 16.92 O ATOM 1028 OE2 GLU A 64 -14.713 -13.098 0.167 1.00 15.76 O ATOM 0 H GLU A 64 -11.696 -16.012 -1.592 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.647 -13.956 -0.784 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.632 -15.325 1.938 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -12.003 -13.635 1.660 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.607 -16.049 0.773 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -14.078 -14.816 1.925 1.00 15.11 H new ATOM 1035 N SER A 65 -8.842 -14.705 -0.552 1.00 13.38 N ATOM 1036 CA SER A 65 -7.435 -14.358 -0.371 1.00 13.05 C ATOM 1037 C SER A 65 -7.087 -13.093 -1.151 1.00 11.65 C ATOM 1038 O SER A 65 -7.687 -12.809 -2.186 1.00 10.94 O ATOM 1039 CB SER A 65 -6.542 -15.513 -0.827 1.00 13.61 C ATOM 1040 OG SER A 65 -6.809 -15.861 -2.173 1.00 14.92 O ATOM 0 H SER A 65 -9.022 -15.346 -1.325 1.00 13.38 H new ATOM 0 HA SER A 65 -7.263 -14.172 0.689 1.00 13.05 H new ATOM 0 HB2 SER A 65 -5.494 -15.231 -0.722 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.705 -16.379 -0.185 1.00 13.61 H new ATOM 0 HG SER A 65 -7.312 -16.702 -2.200 1.00 14.92 H new ATOM 1046 N THR A 66 -6.108 -12.344 -0.649 1.00 11.29 N ATOM 1047 CA THR A 66 -5.679 -11.107 -1.297 1.00 9.99 C ATOM 1048 C THR A 66 -4.383 -11.324 -2.081 1.00 9.57 C ATOM 1049 O THR A 66 -3.366 -11.732 -1.522 1.00 10.12 O ATOM 1050 CB THR A 66 -5.474 -9.971 -0.273 1.00 9.92 C ATOM 1051 OG1 THR A 66 -4.983 -8.797 -0.933 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.502 -10.382 0.826 1.00 8.71 C ATOM 0 H THR A 66 -5.597 -12.572 0.204 1.00 11.29 H new ATOM 0 HA THR A 66 -6.473 -10.815 -1.985 1.00 9.99 H new ATOM 0 HB THR A 66 -6.440 -9.758 0.186 1.00 9.92 H new ATOM 0 HG1 THR A 66 -4.857 -8.081 -0.276 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.380 -9.559 1.530 1.00 8.71 H new ATOM 0 HG22 THR A 66 -4.893 -11.254 1.351 1.00 8.71 H new ATOM 0 HG23 THR A 66 -3.536 -10.628 0.384 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.441 -11.052 -3.381 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.288 -11.203 -4.262 1.00 8.45 C ATOM 1062 C LEU A 67 -2.803 -9.831 -4.721 1.00 7.19 C ATOM 1063 O LEU A 67 -3.527 -9.102 -5.400 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.648 -12.064 -5.479 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.823 -13.561 -5.200 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -5.092 -13.820 -4.398 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.846 -14.345 -6.504 1.00 10.94 C ATOM 0 H LEU A 67 -5.284 -10.722 -3.851 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.491 -11.700 -3.709 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.573 -11.682 -5.911 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.870 -11.941 -6.232 1.00 8.71 H new ATOM 0 HG LEU A 67 -2.973 -13.898 -4.607 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -5.194 -14.889 -4.213 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.036 -13.291 -3.447 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -5.956 -13.465 -4.960 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.971 -15.406 -6.288 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -4.675 -14.000 -7.121 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.908 -14.191 -7.038 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.574 -9.487 -4.350 1.00 7.09 N ATOM 1080 CA HIS A 68 -0.998 -8.193 -4.705 1.00 5.99 C ATOM 1081 C HIS A 68 -0.486 -8.168 -6.143 1.00 5.70 C ATOM 1082 O HIS A 68 0.524 -8.791 -6.463 1.00 6.53 O ATOM 1083 CB HIS A 68 0.140 -7.844 -3.743 1.00 6.18 C ATOM 1084 CG HIS A 68 -0.312 -7.602 -2.336 1.00 6.68 C ATOM 1085 ND1 HIS A 68 -0.057 -6.430 -1.656 1.00 6.45 N ATOM 1086 CD2 HIS A 68 -1.001 -8.391 -1.477 1.00 7.71 C ATOM 1087 CE1 HIS A 68 -0.567 -6.509 -0.440 1.00 7.36 C ATOM 1088 NE2 HIS A 68 -1.145 -7.689 -0.307 1.00 8.09 N ATOM 0 H HIS A 68 -0.956 -10.087 -3.803 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.791 -7.450 -4.624 1.00 5.99 H new ATOM 0 HB2 HIS A 68 0.868 -8.655 -3.747 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.652 -6.954 -4.108 1.00 6.18 H new ATOM 0 HD2 HIS A 68 -1.368 -9.387 -1.676 1.00 7.71 H new ATOM 0 HE1 HIS A 68 -0.519 -5.740 0.317 1.00 7.36 H new ATOM 0 HE2 HIS A 68 -1.621 -8.024 0.530 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.187 -7.430 -7.001 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.803 -7.304 -8.403 1.00 4.96 C ATOM 1099 C LEU A 69 0.089 -6.084 -8.602 1.00 4.58 C ATOM 1100 O LEU A 69 -0.347 -4.947 -8.408 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.050 -7.204 -9.288 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.793 -6.808 -10.747 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -0.726 -7.696 -11.371 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.083 -6.882 -11.551 1.00 5.42 C ATOM 0 H LEU A 69 -2.027 -6.909 -6.748 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.242 -8.193 -8.691 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.561 -8.167 -9.276 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.730 -6.476 -8.846 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.430 -5.780 -10.762 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -0.562 -7.395 -12.406 1.00 6.70 H new ATOM 0 HD12 LEU A 69 0.204 -7.595 -10.812 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -1.055 -8.735 -11.343 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -2.884 -6.598 -12.584 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.472 -7.900 -11.523 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.818 -6.201 -11.123 1.00 5.42 H new ATOM 1116 N VAL A 70 1.338 -6.329 -8.989 1.00 5.29 N ATOM 1117 CA VAL A 70 2.302 -5.257 -9.203 1.00 5.30 C ATOM 1118 C VAL A 70 2.895 -5.312 -10.606 1.00 6.23 C ATOM 1119 O VAL A 70 2.667 -6.262 -11.354 1.00 7.13 O ATOM 1120 CB VAL A 70 3.443 -5.330 -8.163 1.00 5.71 C ATOM 1121 CG1 VAL A 70 2.876 -5.533 -6.764 1.00 5.73 C ATOM 1122 CG2 VAL A 70 4.427 -6.440 -8.510 1.00 5.32 C ATOM 0 H VAL A 70 1.706 -7.265 -9.161 1.00 5.29 H new ATOM 0 HA VAL A 70 1.766 -4.315 -9.087 1.00 5.30 H new ATOM 0 HB VAL A 70 3.983 -4.383 -8.184 1.00 5.71 H new ATOM 0 HG11 VAL A 70 3.693 -5.582 -6.044 1.00 5.73 H new ATOM 0 HG12 VAL A 70 2.220 -4.699 -6.513 1.00 5.73 H new ATOM 0 HG13 VAL A 70 2.308 -6.463 -6.733 1.00 5.73 H new ATOM 0 HG21 VAL A 70 5.220 -6.470 -7.763 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.906 -7.397 -8.524 1.00 5.32 H new ATOM 0 HG23 VAL A 70 4.861 -6.248 -9.491 1.00 5.32 H new ATOM 1132 N LEU A 71 3.644 -4.273 -10.954 1.00 6.27 N ATOM 1133 CA LEU A 71 4.286 -4.195 -12.257 1.00 7.40 C ATOM 1134 C LEU A 71 5.632 -4.913 -12.230 1.00 8.31 C ATOM 1135 O LEU A 71 6.564 -4.474 -11.554 1.00 8.22 O ATOM 1136 CB LEU A 71 4.471 -2.732 -12.672 1.00 7.48 C ATOM 1137 CG LEU A 71 4.992 -2.516 -14.097 1.00 7.46 C ATOM 1138 CD1 LEU A 71 4.063 -3.168 -15.113 1.00 6.63 C ATOM 1139 CD2 LEU A 71 5.145 -1.030 -14.389 1.00 8.16 C ATOM 0 H LEU A 71 3.821 -3.471 -10.349 1.00 6.27 H new ATOM 0 HA LEU A 71 3.646 -4.686 -12.990 1.00 7.40 H new ATOM 0 HB2 LEU A 71 3.514 -2.219 -12.571 1.00 7.48 H new ATOM 0 HB3 LEU A 71 5.162 -2.258 -11.975 1.00 7.48 H new ATOM 0 HG LEU A 71 5.972 -2.986 -14.179 1.00 7.46 H new ATOM 0 HD11 LEU A 71 4.450 -3.003 -16.118 1.00 6.63 H new ATOM 0 HD12 LEU A 71 4.004 -4.239 -14.918 1.00 6.63 H new ATOM 0 HD13 LEU A 71 3.069 -2.729 -15.031 1.00 6.63 H new ATOM 0 HD21 LEU A 71 5.516 -0.895 -15.405 1.00 8.16 H new ATOM 0 HD22 LEU A 71 4.178 -0.538 -14.287 1.00 8.16 H new ATOM 0 HD23 LEU A 71 5.851 -0.591 -13.684 1.00 8.16 H new ATOM 1151 N ARG A 72 5.721 -6.025 -12.959 1.00 9.27 N ATOM 1152 CA ARG A 72 6.954 -6.809 -13.022 1.00 10.25 C ATOM 1153 C ARG A 72 8.120 -5.932 -13.473 1.00 11.32 C ATOM 1154 O ARG A 72 7.918 -4.792 -13.894 1.00 12.10 O ATOM 1155 CB ARG A 72 6.779 -7.991 -13.981 1.00 10.86 C ATOM 1156 CG ARG A 72 7.825 -9.084 -13.807 1.00 11.89 C ATOM 1157 CD ARG A 72 7.472 -10.328 -14.609 1.00 12.56 C ATOM 1158 NE ARG A 72 6.238 -10.954 -14.137 1.00 13.15 N ATOM 1159 CZ ARG A 72 5.525 -11.818 -14.855 1.00 13.62 C ATOM 1160 NH1 ARG A 72 5.907 -12.146 -16.082 1.00 13.61 N ATOM 1161 NH2 ARG A 72 4.426 -12.353 -14.344 1.00 14.22 N ATOM 0 H ARG A 72 4.954 -6.403 -13.514 1.00 9.27 H new ATOM 0 HA ARG A 72 7.174 -7.193 -12.026 1.00 10.25 H new ATOM 0 HB2 ARG A 72 5.789 -8.422 -13.834 1.00 10.86 H new ATOM 0 HB3 ARG A 72 6.818 -7.624 -15.006 1.00 10.86 H new ATOM 0 HG2 ARG A 72 8.799 -8.710 -14.123 1.00 11.89 H new ATOM 0 HG3 ARG A 72 7.910 -9.343 -12.752 1.00 11.89 H new ATOM 0 HD2 ARG A 72 7.364 -10.062 -15.661 1.00 12.56 H new ATOM 0 HD3 ARG A 72 8.290 -11.045 -14.544 1.00 12.56 H new ATOM 0 HE ARG A 72 5.904 -10.715 -13.203 1.00 13.15 H new ATOM 0 HH11 ARG A 72 6.752 -11.735 -16.480 1.00 13.61 H new ATOM 0 HH12 ARG A 72 5.356 -12.809 -16.628 1.00 13.61 H new ATOM 0 HH21 ARG A 72 4.127 -12.102 -13.401 1.00 14.22 H new ATOM 0 HH22 ARG A 72 3.878 -13.015 -14.893 1.00 14.22 H new ATOM 1175 N LEU A 73 9.337 -6.470 -13.384 1.00 11.45 N ATOM 1176 CA LEU A 73 10.537 -5.734 -13.784 1.00 12.57 C ATOM 1177 C LEU A 73 10.272 -4.911 -15.043 1.00 13.68 C ATOM 1178 O LEU A 73 10.231 -5.448 -16.150 1.00 13.63 O ATOM 1179 CB LEU A 73 11.700 -6.703 -14.028 1.00 12.50 C ATOM 1180 CG LEU A 73 12.107 -7.554 -12.819 1.00 12.30 C ATOM 1181 CD1 LEU A 73 13.250 -8.490 -13.184 1.00 11.49 C ATOM 1182 CD2 LEU A 73 12.494 -6.667 -11.644 1.00 12.81 C ATOM 0 H LEU A 73 9.518 -7.413 -13.039 1.00 11.45 H new ATOM 0 HA LEU A 73 10.805 -5.055 -12.975 1.00 12.57 H new ATOM 0 HB2 LEU A 73 11.430 -7.370 -14.847 1.00 12.50 H new ATOM 0 HB3 LEU A 73 12.567 -6.129 -14.356 1.00 12.50 H new ATOM 0 HG LEU A 73 11.250 -8.159 -12.522 1.00 12.30 H new ATOM 0 HD11 LEU A 73 13.525 -9.086 -12.313 1.00 11.49 H new ATOM 0 HD12 LEU A 73 12.935 -9.151 -13.991 1.00 11.49 H new ATOM 0 HD13 LEU A 73 14.110 -7.905 -13.509 1.00 11.49 H new ATOM 0 HD21 LEU A 73 12.779 -7.290 -10.796 1.00 12.81 H new ATOM 0 HD22 LEU A 73 13.334 -6.033 -11.928 1.00 12.81 H new ATOM 0 HD23 LEU A 73 11.646 -6.042 -11.365 1.00 12.81 H new ATOM 1194 N ARG A 74 10.091 -3.604 -14.860 1.00 14.71 N ATOM 1195 CA ARG A 74 9.811 -2.701 -15.971 1.00 15.86 C ATOM 1196 C ARG A 74 9.846 -1.247 -15.502 1.00 16.72 C ATOM 1197 O ARG A 74 10.189 -0.346 -16.269 1.00 17.60 O ATOM 1198 CB ARG A 74 8.442 -3.023 -16.579 1.00 16.64 C ATOM 1199 CG ARG A 74 8.116 -2.213 -17.825 1.00 16.74 C ATOM 1200 CD ARG A 74 6.795 -2.648 -18.442 1.00 17.43 C ATOM 1201 NE ARG A 74 6.805 -4.060 -18.816 1.00 18.56 N ATOM 1202 CZ ARG A 74 5.793 -4.674 -19.425 1.00 18.96 C ATOM 1203 NH1 ARG A 74 4.692 -4.003 -19.734 1.00 18.35 N ATOM 1204 NH2 ARG A 74 5.884 -5.963 -19.726 1.00 20.03 N ATOM 0 H ARG A 74 10.134 -3.147 -13.949 1.00 14.71 H new ATOM 0 HA ARG A 74 10.579 -2.839 -16.732 1.00 15.86 H new ATOM 0 HB2 ARG A 74 8.406 -4.084 -16.827 1.00 16.64 H new ATOM 0 HB3 ARG A 74 7.671 -2.845 -15.829 1.00 16.64 H new ATOM 0 HG2 ARG A 74 8.069 -1.154 -17.570 1.00 16.74 H new ATOM 0 HG3 ARG A 74 8.916 -2.330 -18.556 1.00 16.74 H new ATOM 0 HD2 ARG A 74 5.987 -2.466 -17.734 1.00 17.43 H new ATOM 0 HD3 ARG A 74 6.589 -2.041 -19.323 1.00 17.43 H new ATOM 0 HE ARG A 74 7.637 -4.608 -18.598 1.00 18.56 H new ATOM 0 HH11 ARG A 74 4.618 -3.012 -19.505 1.00 18.35 H new ATOM 0 HH12 ARG A 74 3.919 -4.478 -20.201 1.00 18.35 H new ATOM 0 HH21 ARG A 74 6.729 -6.483 -19.491 1.00 20.03 H new ATOM 0 HH22 ARG A 74 5.109 -6.434 -20.193 1.00 20.03 H new ATOM 1218 N GLY A 75 9.485 -1.031 -14.238 1.00 16.49 N ATOM 1219 CA GLY A 75 9.480 0.310 -13.675 1.00 17.34 C ATOM 1220 C GLY A 75 10.104 0.359 -12.295 1.00 16.75 C ATOM 1221 O GLY A 75 10.015 -0.603 -11.530 1.00 16.31 O ATOM 0 H GLY A 75 9.195 -1.765 -13.591 1.00 16.49 H new ATOM 0 HA2 GLY A 75 10.022 0.982 -14.340 1.00 17.34 H new ATOM 0 HA3 GLY A 75 8.454 0.674 -13.620 1.00 17.34 H new ATOM 1225 N GLY A 76 10.736 1.485 -11.973 1.00 16.82 N ATOM 1226 CA GLY A 76 11.372 1.638 -10.677 1.00 16.39 C ATOM 1227 C GLY A 76 11.922 3.035 -10.460 1.00 16.87 C ATOM 1228 O GLY A 76 12.241 3.712 -11.460 1.00 16.60 O ATOM 1229 OXT GLY A 76 12.037 3.452 -9.289 1.00 17.60 O ATOM 0 H GLY A 76 10.819 2.295 -12.588 1.00 16.82 H new ATOM 0 HA2 GLY A 76 10.650 1.409 -9.893 1.00 16.39 H new ATOM 0 HA3 GLY A 76 12.182 0.914 -10.586 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 19.568 15.236 8.994 1.00 8.45 N ATOM 1235 CA ALA B 5 20.465 14.947 7.847 1.00 8.55 C ATOM 1236 C ALA B 5 19.694 14.301 6.700 1.00 8.21 C ATOM 1237 O ALA B 5 19.496 14.917 5.653 1.00 8.17 O ATOM 1238 CB ALA B 5 21.614 14.049 8.285 1.00 9.15 C ATOM 0 HA ALA B 5 20.875 15.892 7.491 1.00 8.55 H new ATOM 0 HB1 ALA B 5 22.263 13.846 7.433 1.00 9.15 H new ATOM 0 HB2 ALA B 5 22.187 14.547 9.067 1.00 9.15 H new ATOM 0 HB3 ALA B 5 21.216 13.110 8.669 1.00 9.15 H new ATOM 1244 N LYS B 6 19.260 13.057 6.903 1.00 8.14 N ATOM 1245 CA LYS B 6 18.509 12.328 5.886 1.00 7.96 C ATOM 1246 C LYS B 6 17.058 12.136 6.315 1.00 7.52 C ATOM 1247 O LYS B 6 16.678 12.467 7.438 1.00 7.55 O ATOM 1248 CB LYS B 6 19.156 10.965 5.625 1.00 8.42 C ATOM 1249 CG LYS B 6 20.655 11.034 5.377 1.00 9.06 C ATOM 1250 CD LYS B 6 21.245 9.652 5.144 1.00 9.58 C ATOM 1251 CE LYS B 6 22.758 9.707 4.990 1.00 10.19 C ATOM 1252 NZ LYS B 6 23.171 10.584 3.860 1.00 10.58 N ATOM 0 H LYS B 6 19.417 12.534 7.765 1.00 8.14 H new ATOM 0 HA LYS B 6 18.525 12.915 4.968 1.00 7.96 H new ATOM 0 HB2 LYS B 6 18.968 10.315 6.479 1.00 8.42 H new ATOM 0 HB3 LYS B 6 18.675 10.504 4.762 1.00 8.42 H new ATOM 0 HG2 LYS B 6 20.853 11.666 4.511 1.00 9.06 H new ATOM 0 HG3 LYS B 6 21.145 11.501 6.231 1.00 9.06 H new ATOM 0 HD2 LYS B 6 20.987 9.000 5.979 1.00 9.58 H new ATOM 0 HD3 LYS B 6 20.803 9.213 4.249 1.00 9.58 H new ATOM 0 HE2 LYS B 6 23.204 10.073 5.915 1.00 10.19 H new ATOM 0 HE3 LYS B 6 23.143 8.700 4.827 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 24.188 10.463 3.681 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 22.636 10.325 3.006 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 22.977 11.577 4.102 1.00 10.58 H new ATOM 1266 N GLU B 7 16.261 11.595 5.399 1.00 7.18 N ATOM 1267 CA GLU B 7 14.856 11.303 5.660 1.00 6.79 C ATOM 1268 C GLU B 7 14.699 9.816 5.962 1.00 6.27 C ATOM 1269 O GLU B 7 15.221 8.974 5.229 1.00 6.06 O ATOM 1270 CB GLU B 7 13.996 11.686 4.452 1.00 6.70 C ATOM 1271 CG GLU B 7 14.005 13.175 4.141 1.00 7.25 C ATOM 1272 CD GLU B 7 13.128 13.523 2.953 1.00 7.37 C ATOM 1273 OE1 GLU B 7 13.625 13.467 1.809 1.00 7.53 O ATOM 1274 OE2 GLU B 7 11.941 13.850 3.167 1.00 7.56 O ATOM 0 H GLU B 7 16.569 11.348 4.459 1.00 7.18 H new ATOM 0 HA GLU B 7 14.523 11.887 6.518 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.350 11.139 3.578 1.00 6.70 H new ATOM 0 HB3 GLU B 7 12.969 11.368 4.633 1.00 6.70 H new ATOM 0 HG2 GLU B 7 13.663 13.728 5.016 1.00 7.25 H new ATOM 0 HG3 GLU B 7 15.027 13.495 3.941 1.00 7.25 H new ATOM 1281 N TYR B 8 13.990 9.491 7.041 1.00 6.11 N ATOM 1282 CA TYR B 8 13.799 8.095 7.429 1.00 5.67 C ATOM 1283 C TYR B 8 12.327 7.753 7.631 1.00 5.23 C ATOM 1284 O TYR B 8 11.493 8.628 7.858 1.00 5.37 O ATOM 1285 CB TYR B 8 14.579 7.785 8.708 1.00 5.93 C ATOM 1286 CG TYR B 8 16.043 8.164 8.636 1.00 6.40 C ATOM 1287 CD1 TYR B 8 16.985 7.275 8.134 1.00 6.73 C ATOM 1288 CD2 TYR B 8 16.481 9.409 9.071 1.00 6.75 C ATOM 1289 CE1 TYR B 8 18.323 7.616 8.068 1.00 7.19 C ATOM 1290 CE2 TYR B 8 17.817 9.757 9.008 1.00 7.21 C ATOM 1291 CZ TYR B 8 18.734 8.858 8.506 1.00 7.34 C ATOM 1292 OH TYR B 8 20.065 9.200 8.443 1.00 7.84 O ATOM 0 H TYR B 8 13.542 10.169 7.658 1.00 6.11 H new ATOM 0 HA TYR B 8 14.177 7.481 6.612 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.117 8.313 9.542 1.00 5.93 H new ATOM 0 HB3 TYR B 8 14.499 6.719 8.922 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.667 6.302 7.790 1.00 6.73 H new ATOM 0 HD2 TYR B 8 15.766 10.116 9.465 1.00 6.75 H new ATOM 0 HE1 TYR B 8 19.043 6.913 7.675 1.00 7.19 H new ATOM 0 HE2 TYR B 8 18.141 10.729 9.350 1.00 7.21 H new ATOM 0 HH TYR B 8 20.186 10.109 8.789 1.00 7.84 H new ATOM 1302 N CYS B 9 12.034 6.464 7.543 1.00 4.73 N ATOM 1303 CA CYS B 9 10.676 5.963 7.717 1.00 4.31 C ATOM 1304 C CYS B 9 10.691 4.599 8.400 1.00 3.91 C ATOM 1305 O CYS B 9 11.602 3.800 8.180 1.00 3.80 O ATOM 1306 CB CYS B 9 9.968 5.873 6.362 1.00 4.13 C ATOM 1307 SG CYS B 9 10.833 4.856 5.142 1.00 4.61 S ATOM 0 H CYS B 9 12.725 5.739 7.350 1.00 4.73 H new ATOM 0 HA CYS B 9 10.129 6.659 8.353 1.00 4.31 H new ATOM 0 HB2 CYS B 9 8.968 5.468 6.513 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.847 6.879 5.960 1.00 4.13 H new ATOM 0 HG CYS B 9 12.111 4.891 5.376 1.00 4.61 H new ATOM 1313 N ARG B 10 9.678 4.335 9.226 1.00 3.77 N ATOM 1314 CA ARG B 10 9.590 3.064 9.941 1.00 3.48 C ATOM 1315 C ARG B 10 8.585 2.137 9.264 1.00 3.02 C ATOM 1316 O ARG B 10 7.503 2.565 8.863 1.00 3.04 O ATOM 1317 CB ARG B 10 9.207 3.298 11.405 1.00 3.74 C ATOM 1318 CG ARG B 10 9.258 2.043 12.265 1.00 3.64 C ATOM 1319 CD ARG B 10 7.888 1.396 12.406 1.00 3.85 C ATOM 1320 NE ARG B 10 7.952 0.151 13.169 1.00 3.92 N ATOM 1321 CZ ARG B 10 6.889 -0.591 13.470 1.00 4.05 C ATOM 1322 NH1 ARG B 10 5.678 -0.216 13.080 1.00 4.22 N ATOM 1323 NH2 ARG B 10 7.038 -1.711 14.164 1.00 4.43 N ATOM 0 H ARG B 10 8.912 4.981 9.415 1.00 3.77 H new ATOM 0 HA ARG B 10 10.569 2.585 9.915 1.00 3.48 H new ATOM 0 HB2 ARG B 10 9.877 4.045 11.830 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.200 3.713 11.445 1.00 3.74 H new ATOM 0 HG2 ARG B 10 9.953 1.329 11.824 1.00 3.64 H new ATOM 0 HG3 ARG B 10 9.644 2.295 13.253 1.00 3.64 H new ATOM 0 HD2 ARG B 10 7.207 2.090 12.899 1.00 3.85 H new ATOM 0 HD3 ARG B 10 7.477 1.195 11.417 1.00 3.85 H new ATOM 0 HE ARG B 10 8.866 -0.168 13.490 1.00 3.92 H new ATOM 0 HH11 ARG B 10 5.558 0.645 12.547 1.00 4.22 H new ATOM 0 HH12 ARG B 10 4.867 -0.789 13.314 1.00 4.22 H new ATOM 0 HH21 ARG B 10 7.967 -2.003 14.467 1.00 4.43 H new ATOM 0 HH22 ARG B 10 6.224 -2.280 14.395 1.00 4.43 H new ATOM 1337 N THR B 11 8.953 0.862 9.142 1.00 2.72 N ATOM 1338 CA THR B 11 8.092 -0.132 8.509 1.00 2.35 C ATOM 1339 C THR B 11 6.964 -0.569 9.441 1.00 2.40 C ATOM 1340 O THR B 11 7.215 -0.999 10.568 1.00 2.57 O ATOM 1341 CB THR B 11 8.902 -1.370 8.089 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.571 -1.919 9.229 1.00 2.48 O ATOM 1343 CG2 THR B 11 9.927 -1.012 7.021 1.00 2.15 C ATOM 0 H THR B 11 9.844 0.494 9.475 1.00 2.72 H new ATOM 0 HA THR B 11 7.659 0.338 7.626 1.00 2.35 H new ATOM 0 HB THR B 11 8.213 -2.107 7.676 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.050 -2.732 8.967 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.487 -1.904 6.741 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.415 -0.614 6.144 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.613 -0.261 7.412 1.00 2.15 H new ATOM 1351 N LEU B 12 5.723 -0.469 8.965 1.00 2.42 N ATOM 1352 CA LEU B 12 4.564 -0.839 9.774 1.00 2.61 C ATOM 1353 C LEU B 12 4.213 -2.318 9.622 1.00 2.57 C ATOM 1354 O LEU B 12 3.545 -2.882 10.489 1.00 2.79 O ATOM 1355 CB LEU B 12 3.357 0.018 9.385 1.00 2.93 C ATOM 1356 CG LEU B 12 3.588 1.533 9.426 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.417 2.269 8.790 1.00 3.72 C ATOM 1358 CD2 LEU B 12 3.800 2.006 10.859 1.00 3.78 C ATOM 0 H LEU B 12 5.496 -0.136 8.028 1.00 2.42 H new ATOM 0 HA LEU B 12 4.823 -0.661 10.818 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.046 -0.258 8.378 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.530 -0.225 10.052 1.00 2.93 H new ATOM 0 HG LEU B 12 4.488 1.757 8.854 1.00 3.34 H new ATOM 0 HD11 LEU B 12 2.598 3.343 8.828 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.311 1.956 7.751 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.502 2.036 9.334 1.00 3.72 H new ATOM 0 HD21 LEU B 12 3.962 3.084 10.866 1.00 3.78 H new ATOM 0 HD22 LEU B 12 2.919 1.768 11.455 1.00 3.78 H new ATOM 0 HD23 LEU B 12 4.671 1.505 11.282 1.00 3.78 H new ATOM 1370 N PHE B 13 4.656 -2.952 8.539 1.00 2.42 N ATOM 1371 CA PHE B 13 4.361 -4.369 8.320 1.00 2.54 C ATOM 1372 C PHE B 13 5.501 -5.068 7.581 1.00 2.25 C ATOM 1373 O PHE B 13 6.286 -4.421 6.884 1.00 1.97 O ATOM 1374 CB PHE B 13 3.059 -4.514 7.523 1.00 2.93 C ATOM 1375 CG PHE B 13 1.903 -3.758 8.118 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.285 -4.204 9.276 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.436 -2.599 7.518 1.00 3.89 C ATOM 1378 CE1 PHE B 13 0.224 -3.508 9.824 1.00 4.67 C ATOM 1379 CE2 PHE B 13 0.376 -1.900 8.060 1.00 4.60 C ATOM 1380 CZ PHE B 13 -0.231 -2.354 9.214 1.00 4.88 C ATOM 0 H PHE B 13 5.214 -2.515 7.806 1.00 2.42 H new ATOM 0 HA PHE B 13 4.248 -4.844 9.295 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.225 -4.164 6.504 1.00 2.93 H new ATOM 0 HB3 PHE B 13 2.797 -5.570 7.459 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.637 -5.106 9.755 1.00 3.98 H new ATOM 0 HD2 PHE B 13 1.907 -2.238 6.616 1.00 3.89 H new ATOM 0 HE1 PHE B 13 -0.249 -3.865 10.727 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.022 -0.999 7.582 1.00 4.60 H new ATOM 0 HZ PHE B 13 -1.060 -1.808 9.640 1.00 4.88 H new ATOM 1390 N PRO B 14 5.608 -6.405 7.726 1.00 2.42 N ATOM 1391 CA PRO B 14 6.658 -7.187 7.066 1.00 2.31 C ATOM 1392 C PRO B 14 6.422 -7.326 5.564 1.00 2.34 C ATOM 1393 O PRO B 14 5.296 -7.541 5.114 1.00 2.77 O ATOM 1394 CB PRO B 14 6.575 -8.550 7.757 1.00 2.76 C ATOM 1395 CG PRO B 14 5.160 -8.654 8.211 1.00 3.11 C ATOM 1396 CD PRO B 14 4.723 -7.253 8.550 1.00 2.88 C ATOM 0 HA PRO B 14 7.636 -6.713 7.153 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.832 -9.358 7.072 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.267 -8.612 8.597 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.531 -9.080 7.429 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.077 -9.308 9.079 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.673 -7.091 8.308 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.841 -7.042 9.613 1.00 2.88 H new ATOM 1404 N TYR B 15 7.498 -7.197 4.804 1.00 2.05 N ATOM 1405 CA TYR B 15 7.448 -7.300 3.349 1.00 2.18 C ATOM 1406 C TYR B 15 8.612 -8.133 2.825 1.00 2.20 C ATOM 1407 O TYR B 15 9.764 -7.900 3.191 1.00 2.06 O ATOM 1408 CB TYR B 15 7.494 -5.910 2.712 1.00 2.12 C ATOM 1409 CG TYR B 15 7.429 -5.943 1.200 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.279 -6.369 0.546 1.00 2.50 C ATOM 1411 CD2 TYR B 15 8.517 -5.557 0.426 1.00 3.05 C ATOM 1412 CE1 TYR B 15 6.214 -6.406 -0.833 1.00 2.98 C ATOM 1413 CE2 TYR B 15 8.460 -5.591 -0.954 1.00 3.52 C ATOM 1414 CZ TYR B 15 7.307 -6.018 -1.579 1.00 3.45 C ATOM 1415 OH TYR B 15 7.244 -6.052 -2.953 1.00 4.00 O ATOM 0 H TYR B 15 8.431 -7.018 5.175 1.00 2.05 H new ATOM 0 HA TYR B 15 6.512 -7.789 3.081 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.663 -5.316 3.092 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.411 -5.407 3.019 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.421 -6.676 1.126 1.00 2.50 H new ATOM 0 HD2 TYR B 15 9.423 -5.225 0.912 1.00 3.05 H new ATOM 0 HE1 TYR B 15 5.311 -6.737 -1.325 1.00 2.98 H new ATOM 0 HE2 TYR B 15 9.314 -5.285 -1.540 1.00 3.52 H new ATOM 0 HH TYR B 15 7.391 -5.151 -3.310 1.00 4.00 H new ATOM 1425 N THR B 16 8.307 -9.104 1.966 1.00 2.62 N ATOM 1426 CA THR B 16 9.335 -9.962 1.388 1.00 2.82 C ATOM 1427 C THR B 16 9.490 -9.700 -0.107 1.00 2.71 C ATOM 1428 O THR B 16 8.544 -9.866 -0.880 1.00 3.05 O ATOM 1429 CB THR B 16 9.013 -11.454 1.610 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.785 -11.703 3.003 1.00 3.72 O ATOM 1431 CG2 THR B 16 10.150 -12.337 1.115 1.00 3.82 C ATOM 0 H THR B 16 7.358 -9.315 1.657 1.00 2.62 H new ATOM 0 HA THR B 16 10.270 -9.723 1.894 1.00 2.82 H new ATOM 0 HB THR B 16 8.114 -11.695 1.043 1.00 3.44 H new ATOM 0 HG1 THR B 16 8.579 -12.652 3.136 1.00 3.72 H new ATOM 0 HG21 THR B 16 9.897 -13.384 1.283 1.00 3.82 H new ATOM 0 HG22 THR B 16 10.305 -12.168 0.049 1.00 3.82 H new ATOM 0 HG23 THR B 16 11.063 -12.092 1.657 1.00 3.82 H new ATOM 1439 N GLY B 17 10.697 -9.284 -0.503 1.00 2.63 N ATOM 1440 CA GLY B 17 10.974 -9.013 -1.903 1.00 2.64 C ATOM 1441 C GLY B 17 10.789 -10.239 -2.774 1.00 2.86 C ATOM 1442 O GLY B 17 11.118 -11.354 -2.364 1.00 3.22 O ATOM 0 H GLY B 17 11.486 -9.131 0.125 1.00 2.63 H new ATOM 0 HA2 GLY B 17 10.316 -8.218 -2.254 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.996 -8.649 -2.005 1.00 2.64 H new ATOM 1446 N THR B 18 10.258 -10.032 -3.979 1.00 2.97 N ATOM 1447 CA THR B 18 10.036 -11.123 -4.920 1.00 3.40 C ATOM 1448 C THR B 18 10.971 -11.024 -6.124 1.00 3.24 C ATOM 1449 O THR B 18 11.242 -12.018 -6.799 1.00 3.53 O ATOM 1450 CB THR B 18 8.579 -11.135 -5.418 1.00 4.01 C ATOM 1451 OG1 THR B 18 8.265 -9.890 -6.055 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.622 -11.377 -4.261 1.00 4.64 C ATOM 0 H THR B 18 9.974 -9.115 -4.325 1.00 2.97 H new ATOM 0 HA THR B 18 10.245 -12.049 -4.384 1.00 3.40 H new ATOM 0 HB THR B 18 8.469 -11.944 -6.140 1.00 4.01 H new ATOM 0 HG1 THR B 18 7.859 -10.063 -6.930 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.597 -11.382 -4.632 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.846 -12.339 -3.799 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.737 -10.584 -3.522 1.00 4.64 H new ATOM 1460 N ASN B 19 11.467 -9.811 -6.373 1.00 2.97 N ATOM 1461 CA ASN B 19 12.380 -9.548 -7.483 1.00 2.95 C ATOM 1462 C ASN B 19 13.728 -9.067 -6.954 1.00 2.53 C ATOM 1463 O ASN B 19 13.832 -8.611 -5.814 1.00 2.37 O ATOM 1464 CB ASN B 19 11.786 -8.504 -8.434 1.00 3.31 C ATOM 1465 CG ASN B 19 10.615 -9.038 -9.242 1.00 3.62 C ATOM 1466 OD1 ASN B 19 10.551 -10.228 -9.551 1.00 3.98 O ATOM 1467 ND2 ASN B 19 9.684 -8.158 -9.593 1.00 4.05 N ATOM 0 H ASN B 19 11.247 -8.987 -5.813 1.00 2.97 H new ATOM 0 HA ASN B 19 12.527 -10.476 -8.035 1.00 2.95 H new ATOM 0 HB2 ASN B 19 11.458 -7.639 -7.857 1.00 3.31 H new ATOM 0 HB3 ASN B 19 12.563 -8.157 -9.115 1.00 3.31 H new ATOM 0 HD21 ASN B 19 8.877 -8.460 -10.140 1.00 4.05 H new ATOM 0 HD22 ASN B 19 9.776 -7.181 -9.316 1.00 4.05 H new ATOM 1474 N GLU B 20 14.757 -9.173 -7.790 1.00 2.59 N ATOM 1475 CA GLU B 20 16.109 -8.775 -7.402 1.00 2.51 C ATOM 1476 C GLU B 20 16.192 -7.280 -7.102 1.00 2.43 C ATOM 1477 O GLU B 20 16.958 -6.859 -6.235 1.00 2.58 O ATOM 1478 CB GLU B 20 17.109 -9.146 -8.500 1.00 2.89 C ATOM 1479 CG GLU B 20 16.796 -8.516 -9.848 1.00 3.34 C ATOM 1480 CD GLU B 20 17.822 -8.865 -10.909 1.00 3.79 C ATOM 1481 OE1 GLU B 20 17.704 -9.952 -11.514 1.00 4.26 O ATOM 1482 OE2 GLU B 20 18.741 -8.051 -11.136 1.00 4.19 O ATOM 0 H GLU B 20 14.681 -9.532 -8.742 1.00 2.59 H new ATOM 0 HA GLU B 20 16.361 -9.314 -6.489 1.00 2.51 H new ATOM 0 HB2 GLU B 20 18.108 -8.840 -8.189 1.00 2.89 H new ATOM 0 HB3 GLU B 20 17.128 -10.230 -8.611 1.00 2.89 H new ATOM 0 HG2 GLU B 20 15.811 -8.845 -10.179 1.00 3.34 H new ATOM 0 HG3 GLU B 20 16.749 -7.433 -9.736 1.00 3.34 H new ATOM 1489 N ASP B 21 15.403 -6.481 -7.820 1.00 2.53 N ATOM 1490 CA ASP B 21 15.414 -5.035 -7.618 1.00 2.79 C ATOM 1491 C ASP B 21 14.488 -4.637 -6.472 1.00 2.58 C ATOM 1492 O ASP B 21 14.420 -3.466 -6.092 1.00 2.78 O ATOM 1493 CB ASP B 21 15.018 -4.309 -8.905 1.00 3.35 C ATOM 1494 CG ASP B 21 15.907 -4.689 -10.076 1.00 3.78 C ATOM 1495 OD1 ASP B 21 17.005 -4.108 -10.201 1.00 4.22 O ATOM 1496 OD2 ASP B 21 15.506 -5.571 -10.865 1.00 4.18 O ATOM 0 H ASP B 21 14.756 -6.807 -8.538 1.00 2.53 H new ATOM 0 HA ASP B 21 16.429 -4.739 -7.352 1.00 2.79 H new ATOM 0 HB2 ASP B 21 13.981 -4.543 -9.147 1.00 3.35 H new ATOM 0 HB3 ASP B 21 15.073 -3.232 -8.744 1.00 3.35 H new ATOM 1501 N GLU B 22 13.778 -5.623 -5.923 1.00 2.35 N ATOM 1502 CA GLU B 22 12.861 -5.388 -4.815 1.00 2.22 C ATOM 1503 C GLU B 22 13.621 -5.345 -3.489 1.00 1.84 C ATOM 1504 O GLU B 22 14.690 -5.943 -3.360 1.00 1.91 O ATOM 1505 CB GLU B 22 11.795 -6.490 -4.776 1.00 2.44 C ATOM 1506 CG GLU B 22 10.524 -6.098 -4.035 1.00 2.91 C ATOM 1507 CD GLU B 22 9.655 -5.140 -4.828 1.00 3.33 C ATOM 1508 OE1 GLU B 22 9.986 -3.939 -4.872 1.00 3.77 O ATOM 1509 OE2 GLU B 22 8.644 -5.594 -5.404 1.00 3.68 O ATOM 0 H GLU B 22 13.823 -6.594 -6.231 1.00 2.35 H new ATOM 0 HA GLU B 22 12.373 -4.425 -4.965 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.536 -6.767 -5.798 1.00 2.44 H new ATOM 0 HB3 GLU B 22 12.220 -7.376 -4.304 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.951 -6.996 -3.805 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.790 -5.638 -3.084 1.00 2.91 H new ATOM 1516 N LEU B 23 13.067 -4.641 -2.512 1.00 1.69 N ATOM 1517 CA LEU B 23 13.678 -4.557 -1.185 1.00 1.59 C ATOM 1518 C LEU B 23 12.897 -5.442 -0.224 1.00 1.33 C ATOM 1519 O LEU B 23 11.674 -5.554 -0.319 1.00 1.30 O ATOM 1520 CB LEU B 23 13.693 -3.114 -0.672 1.00 1.92 C ATOM 1521 CG LEU B 23 15.067 -2.592 -0.245 1.00 2.39 C ATOM 1522 CD1 LEU B 23 14.949 -1.193 0.344 1.00 3.13 C ATOM 1523 CD2 LEU B 23 15.714 -3.542 0.755 1.00 2.61 C ATOM 0 H LEU B 23 12.196 -4.119 -2.609 1.00 1.69 H new ATOM 0 HA LEU B 23 14.711 -4.897 -1.252 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.301 -2.463 -1.453 1.00 1.92 H new ATOM 0 HB3 LEU B 23 13.013 -3.039 0.177 1.00 1.92 H new ATOM 0 HG LEU B 23 15.703 -2.539 -1.128 1.00 2.39 H new ATOM 0 HD11 LEU B 23 15.936 -0.839 0.642 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.531 -0.518 -0.403 1.00 3.13 H new ATOM 0 HD13 LEU B 23 14.295 -1.219 1.216 1.00 3.13 H new ATOM 0 HD21 LEU B 23 16.690 -3.154 1.047 1.00 2.61 H new ATOM 0 HD22 LEU B 23 15.080 -3.629 1.637 1.00 2.61 H new ATOM 0 HD23 LEU B 23 15.836 -4.524 0.298 1.00 2.61 H new ATOM 1535 N THR B 24 13.620 -6.069 0.704 1.00 1.49 N ATOM 1536 CA THR B 24 13.005 -6.931 1.706 1.00 1.61 C ATOM 1537 C THR B 24 13.189 -6.334 3.098 1.00 1.73 C ATOM 1538 O THR B 24 14.317 -6.103 3.535 1.00 2.12 O ATOM 1539 CB THR B 24 13.593 -8.358 1.676 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.348 -8.965 0.403 1.00 2.21 O ATOM 1541 CG2 THR B 24 13.000 -9.223 2.782 1.00 2.46 C ATOM 0 H THR B 24 14.634 -5.994 0.780 1.00 1.49 H new ATOM 0 HA THR B 24 11.943 -6.998 1.470 1.00 1.61 H new ATOM 0 HB THR B 24 14.668 -8.281 1.841 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.157 -9.918 0.526 1.00 2.21 H new ATOM 0 HG21 THR B 24 13.434 -10.222 2.735 1.00 2.46 H new ATOM 0 HG22 THR B 24 13.222 -8.777 3.751 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.920 -9.290 2.652 1.00 2.46 H new ATOM 1549 N PHE B 25 12.088 -6.088 3.782 1.00 1.59 N ATOM 1550 CA PHE B 25 12.146 -5.482 5.109 1.00 1.85 C ATOM 1551 C PHE B 25 11.169 -6.115 6.091 1.00 2.01 C ATOM 1552 O PHE B 25 10.143 -6.654 5.682 1.00 2.00 O ATOM 1553 CB PHE B 25 11.892 -3.974 5.020 1.00 1.77 C ATOM 1554 CG PHE B 25 10.658 -3.608 4.248 1.00 1.55 C ATOM 1555 CD1 PHE B 25 9.430 -3.508 4.882 1.00 1.98 C ATOM 1556 CD2 PHE B 25 10.728 -3.358 2.886 1.00 1.69 C ATOM 1557 CE1 PHE B 25 8.296 -3.166 4.174 1.00 2.46 C ATOM 1558 CE2 PHE B 25 9.597 -3.016 2.172 1.00 2.12 C ATOM 1559 CZ PHE B 25 8.378 -2.920 2.816 1.00 2.49 C ATOM 0 H PHE B 25 11.146 -6.295 3.449 1.00 1.59 H new ATOM 0 HA PHE B 25 13.150 -5.664 5.491 1.00 1.85 H new ATOM 0 HB2 PHE B 25 11.811 -3.569 6.029 1.00 1.77 H new ATOM 0 HB3 PHE B 25 12.754 -3.497 4.554 1.00 1.77 H new ATOM 0 HD1 PHE B 25 9.360 -3.700 5.942 1.00 1.98 H new ATOM 0 HD2 PHE B 25 11.678 -3.432 2.378 1.00 1.69 H new ATOM 0 HE1 PHE B 25 7.345 -3.091 4.680 1.00 2.46 H new ATOM 0 HE2 PHE B 25 9.665 -2.824 1.111 1.00 2.12 H new ATOM 0 HZ PHE B 25 7.491 -2.653 2.260 1.00 2.49 H new ATOM 1569 N ARG B 26 11.484 -6.054 7.379 1.00 2.36 N ATOM 1570 CA ARG B 26 10.594 -6.598 8.400 1.00 2.64 C ATOM 1571 C ARG B 26 9.966 -5.461 9.198 1.00 2.55 C ATOM 1572 O ARG B 26 10.225 -4.293 8.922 1.00 2.38 O ATOM 1573 CB ARG B 26 11.349 -7.553 9.330 1.00 3.25 C ATOM 1574 CG ARG B 26 12.087 -8.668 8.599 1.00 3.51 C ATOM 1575 CD ARG B 26 11.147 -9.485 7.725 1.00 4.14 C ATOM 1576 NE ARG B 26 11.816 -10.649 7.146 1.00 4.69 N ATOM 1577 CZ ARG B 26 11.515 -11.164 5.956 1.00 5.47 C ATOM 1578 NH1 ARG B 26 10.564 -10.617 5.210 1.00 5.83 N ATOM 1579 NH2 ARG B 26 12.168 -12.227 5.512 1.00 6.21 N ATOM 0 H ARG B 26 12.342 -5.637 7.741 1.00 2.36 H new ATOM 0 HA ARG B 26 9.804 -7.164 7.907 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.066 -6.981 9.919 1.00 3.25 H new ATOM 0 HB3 ARG B 26 10.642 -7.997 10.031 1.00 3.25 H new ATOM 0 HG2 ARG B 26 12.877 -8.239 7.982 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.570 -9.322 9.325 1.00 3.51 H new ATOM 0 HD2 ARG B 26 10.294 -9.814 8.318 1.00 4.14 H new ATOM 0 HD3 ARG B 26 10.756 -8.856 6.925 1.00 4.14 H new ATOM 0 HE ARG B 26 12.558 -11.093 7.687 1.00 4.69 H new ATOM 0 HH11 ARG B 26 10.059 -9.797 5.547 1.00 5.83 H new ATOM 0 HH12 ARG B 26 10.338 -11.016 4.299 1.00 5.83 H new ATOM 0 HH21 ARG B 26 12.901 -12.650 6.082 1.00 6.21 H new ATOM 0 HH22 ARG B 26 11.938 -12.623 4.600 1.00 6.21 H new ATOM 1593 N GLU B 27 9.134 -5.801 10.174 1.00 2.79 N ATOM 1594 CA GLU B 27 8.486 -4.792 11.008 1.00 2.80 C ATOM 1595 C GLU B 27 9.434 -4.352 12.119 1.00 3.17 C ATOM 1596 O GLU B 27 10.088 -5.176 12.762 1.00 3.57 O ATOM 1597 CB GLU B 27 7.190 -5.342 11.603 1.00 3.01 C ATOM 1598 CG GLU B 27 6.390 -4.311 12.385 1.00 2.98 C ATOM 1599 CD GLU B 27 5.092 -4.872 12.931 1.00 3.49 C ATOM 1600 OE1 GLU B 27 4.132 -5.022 12.146 1.00 3.87 O ATOM 1601 OE2 GLU B 27 5.033 -5.160 14.145 1.00 3.83 O ATOM 0 H GLU B 27 8.891 -6.764 10.409 1.00 2.79 H new ATOM 0 HA GLU B 27 8.240 -3.929 10.389 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.570 -5.736 10.798 1.00 3.01 H new ATOM 0 HB3 GLU B 27 7.429 -6.178 12.260 1.00 3.01 H new ATOM 0 HG2 GLU B 27 6.995 -3.937 13.211 1.00 2.98 H new ATOM 0 HG3 GLU B 27 6.171 -3.461 11.739 1.00 2.98 H new ATOM 1608 N GLY B 28 9.495 -3.039 12.329 1.00 3.14 N ATOM 1609 CA GLY B 28 10.393 -2.471 13.320 1.00 3.60 C ATOM 1610 C GLY B 28 11.725 -2.111 12.687 1.00 3.75 C ATOM 1611 O GLY B 28 12.747 -1.997 13.364 1.00 4.23 O ATOM 0 H GLY B 28 8.933 -2.353 11.825 1.00 3.14 H new ATOM 0 HA2 GLY B 28 9.942 -1.582 13.761 1.00 3.60 H new ATOM 0 HA3 GLY B 28 10.549 -3.185 14.129 1.00 3.60 H new ATOM 1615 N GLU B 29 11.684 -1.933 11.369 1.00 3.41 N ATOM 1616 CA GLU B 29 12.860 -1.622 10.561 1.00 3.61 C ATOM 1617 C GLU B 29 13.017 -0.125 10.285 1.00 3.65 C ATOM 1618 O GLU B 29 12.198 0.700 10.694 1.00 3.39 O ATOM 1619 CB GLU B 29 12.809 -2.395 9.239 1.00 3.33 C ATOM 1620 CG GLU B 29 14.132 -3.034 8.841 1.00 3.45 C ATOM 1621 CD GLU B 29 14.478 -4.238 9.696 1.00 3.74 C ATOM 1622 OE1 GLU B 29 13.956 -5.338 9.414 1.00 4.19 O ATOM 1623 OE2 GLU B 29 15.271 -4.082 10.650 1.00 3.93 O ATOM 0 H GLU B 29 10.823 -2.001 10.826 1.00 3.41 H new ATOM 0 HA GLU B 29 13.730 -1.930 11.140 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.050 -3.174 9.315 1.00 3.33 H new ATOM 0 HB3 GLU B 29 12.492 -1.717 8.446 1.00 3.33 H new ATOM 0 HG2 GLU B 29 14.085 -3.337 7.795 1.00 3.45 H new ATOM 0 HG3 GLU B 29 14.928 -2.294 8.923 1.00 3.45 H new ATOM 1630 N ILE B 30 14.084 0.174 9.583 1.00 4.10 N ATOM 1631 CA ILE B 30 14.425 1.554 9.241 1.00 4.32 C ATOM 1632 C ILE B 30 14.854 1.672 7.782 1.00 4.27 C ATOM 1633 O ILE B 30 15.887 1.133 7.383 1.00 4.58 O ATOM 1634 CB ILE B 30 15.548 2.110 10.143 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.157 2.004 11.621 1.00 5.06 C ATOM 1636 CG2 ILE B 30 15.861 3.557 9.772 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.027 2.929 12.026 1.00 4.81 C ATOM 0 H ILE B 30 14.743 -0.520 9.230 1.00 4.10 H new ATOM 0 HA ILE B 30 13.522 2.143 9.402 1.00 4.32 H new ATOM 0 HB ILE B 30 16.445 1.511 9.985 1.00 4.94 H new ATOM 0 HG12 ILE B 30 14.867 0.976 11.837 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.031 2.224 12.234 1.00 5.06 H new ATOM 0 HG21 ILE B 30 16.655 3.934 10.417 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.185 3.604 8.732 1.00 5.23 H new ATOM 0 HG23 ILE B 30 14.967 4.167 9.901 1.00 5.23 H new ATOM 0 HD11 ILE B 30 13.809 2.795 13.086 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.320 3.963 11.844 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.138 2.695 11.440 1.00 4.81 H new ATOM 1649 N ILE B 31 14.053 2.381 6.994 1.00 3.95 N ATOM 1650 CA ILE B 31 14.341 2.579 5.578 1.00 3.95 C ATOM 1651 C ILE B 31 14.683 4.038 5.292 1.00 4.46 C ATOM 1652 O ILE B 31 14.061 4.950 5.839 1.00 4.64 O ATOM 1653 CB ILE B 31 13.150 2.148 4.693 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.850 0.659 4.902 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.438 2.440 3.224 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.714 0.137 4.047 1.00 2.59 C ATOM 0 H ILE B 31 13.195 2.830 7.314 1.00 3.95 H new ATOM 0 HA ILE B 31 15.200 1.954 5.335 1.00 3.95 H new ATOM 0 HB ILE B 31 12.272 2.724 4.985 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.750 0.083 4.685 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.609 0.491 5.952 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.587 2.129 2.618 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.607 3.509 3.092 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.326 1.891 2.911 1.00 3.48 H new ATOM 0 HD11 ILE B 31 11.562 -0.923 4.251 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.801 0.686 4.280 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.960 0.272 2.994 1.00 2.59 H new ATOM 1668 N HIS B 32 15.678 4.250 4.433 1.00 4.75 N ATOM 1669 CA HIS B 32 16.096 5.596 4.058 1.00 5.28 C ATOM 1670 C HIS B 32 15.334 6.036 2.814 1.00 5.20 C ATOM 1671 O HIS B 32 15.303 5.318 1.817 1.00 5.08 O ATOM 1672 CB HIS B 32 17.602 5.634 3.788 1.00 5.69 C ATOM 1673 CG HIS B 32 18.443 5.113 4.917 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.148 4.261 5.930 1.00 6.55 N flip ATOM 1675 CD2 HIS B 32 19.768 5.453 5.083 1.00 6.53 C flip ATOM 1676 CE1 HIS B 32 19.290 4.106 6.677 1.00 7.12 C flip ATOM 1677 NE2 HIS B 32 20.252 4.835 6.144 1.00 7.14 N flip ATOM 0 H HIS B 32 16.210 3.504 3.984 1.00 4.75 H new ATOM 0 HA HIS B 32 15.876 6.277 4.880 1.00 5.28 H new ATOM 0 HB2 HIS B 32 17.814 5.050 2.892 1.00 5.69 H new ATOM 0 HB3 HIS B 32 17.896 6.662 3.575 1.00 5.69 H new ATOM 0 HD2 HIS B 32 20.325 6.122 4.443 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.385 3.488 7.558 1.00 7.12 H new ATOM 0 HE2 HIS B 32 21.208 4.908 6.493 1.00 7.14 H new ATOM 1686 N LEU B 33 14.725 7.218 2.870 1.00 5.34 N ATOM 1687 CA LEU B 33 13.959 7.733 1.740 1.00 5.40 C ATOM 1688 C LEU B 33 14.891 8.159 0.610 1.00 5.86 C ATOM 1689 O LEU B 33 15.464 9.249 0.635 1.00 6.33 O ATOM 1690 CB LEU B 33 13.083 8.912 2.182 1.00 5.56 C ATOM 1691 CG LEU B 33 11.925 9.262 1.238 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.090 10.395 1.817 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.446 9.634 -0.145 1.00 5.63 C ATOM 0 H LEU B 33 14.747 7.834 3.682 1.00 5.34 H new ATOM 0 HA LEU B 33 13.312 6.937 1.371 1.00 5.40 H new ATOM 0 HB2 LEU B 33 12.672 8.688 3.166 1.00 5.56 H new ATOM 0 HB3 LEU B 33 13.717 9.792 2.294 1.00 5.56 H new ATOM 0 HG LEU B 33 11.291 8.381 1.136 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.273 10.630 1.135 1.00 5.60 H new ATOM 0 HD12 LEU B 33 10.682 10.090 2.781 1.00 5.60 H new ATOM 0 HD13 LEU B 33 11.716 11.277 1.951 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.607 9.878 -0.796 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.106 10.498 -0.065 1.00 5.63 H new ATOM 0 HD23 LEU B 33 12.998 8.793 -0.564 1.00 5.63 H new ATOM 1705 N ILE B 34 15.041 7.280 -0.371 1.00 5.75 N ATOM 1706 CA ILE B 34 15.895 7.547 -1.522 1.00 6.18 C ATOM 1707 C ILE B 34 15.190 8.447 -2.533 1.00 6.46 C ATOM 1708 O ILE B 34 15.635 9.565 -2.797 1.00 6.97 O ATOM 1709 CB ILE B 34 16.332 6.236 -2.214 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.224 5.410 -1.280 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.056 6.529 -3.524 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.513 6.106 -0.889 1.00 6.06 C ATOM 0 H ILE B 34 14.580 6.370 -0.393 1.00 5.75 H new ATOM 0 HA ILE B 34 16.782 8.059 -1.150 1.00 6.18 H new ATOM 0 HB ILE B 34 15.438 5.656 -2.443 1.00 5.96 H new ATOM 0 HG12 ILE B 34 16.664 5.170 -0.377 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.466 4.465 -1.766 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.354 5.591 -3.993 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.391 7.074 -4.194 1.00 6.44 H new ATOM 0 HG23 ILE B 34 17.942 7.132 -3.323 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.090 5.459 -0.228 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.096 6.322 -1.784 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.281 7.038 -0.373 1.00 6.06 H new ATOM 1724 N SER B 35 14.089 7.953 -3.096 1.00 6.18 N ATOM 1725 CA SER B 35 13.335 8.721 -4.082 1.00 6.50 C ATOM 1726 C SER B 35 11.885 8.262 -4.207 1.00 6.25 C ATOM 1727 O SER B 35 11.609 7.173 -4.711 1.00 5.79 O ATOM 1728 CB SER B 35 14.013 8.626 -5.451 1.00 6.64 C ATOM 1729 OG SER B 35 13.332 9.410 -6.416 1.00 7.03 O ATOM 0 H SER B 35 13.702 7.032 -2.888 1.00 6.18 H new ATOM 0 HA SER B 35 13.324 9.753 -3.733 1.00 6.50 H new ATOM 0 HB2 SER B 35 15.047 8.960 -5.371 1.00 6.64 H new ATOM 0 HB3 SER B 35 14.038 7.586 -5.776 1.00 6.64 H new ATOM 0 HG SER B 35 13.787 9.332 -7.281 1.00 7.03 H new ATOM 1735 N LYS B 36 10.961 9.101 -3.745 1.00 6.58 N ATOM 1736 CA LYS B 36 9.540 8.791 -3.858 1.00 6.47 C ATOM 1737 C LYS B 36 9.201 8.543 -5.324 1.00 6.70 C ATOM 1738 O LYS B 36 8.890 7.419 -5.712 1.00 6.67 O ATOM 1739 CB LYS B 36 8.686 9.935 -3.299 1.00 6.78 C ATOM 1740 CG LYS B 36 8.760 10.071 -1.785 1.00 6.60 C ATOM 1741 CD LYS B 36 7.831 11.161 -1.266 1.00 6.92 C ATOM 1742 CE LYS B 36 8.252 12.541 -1.750 1.00 7.04 C ATOM 1743 NZ LYS B 36 7.406 13.618 -1.162 1.00 7.52 N ATOM 0 H LYS B 36 11.168 9.992 -3.293 1.00 6.58 H new ATOM 0 HA LYS B 36 9.321 7.897 -3.275 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.006 10.872 -3.755 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.648 9.777 -3.590 1.00 6.78 H new ATOM 0 HG2 LYS B 36 8.498 9.120 -1.322 1.00 6.60 H new ATOM 0 HG3 LYS B 36 9.785 10.297 -1.491 1.00 6.60 H new ATOM 0 HD2 LYS B 36 6.812 10.956 -1.594 1.00 6.92 H new ATOM 0 HD3 LYS B 36 7.825 11.144 -0.176 1.00 6.92 H new ATOM 0 HE2 LYS B 36 9.296 12.715 -1.488 1.00 7.04 H new ATOM 0 HE3 LYS B 36 8.186 12.580 -2.837 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 7.725 14.542 -1.516 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 6.413 13.467 -1.433 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 7.489 13.597 -0.125 1.00 7.52 H new ATOM 1757 N GLU B 37 9.235 9.607 -6.130 1.00 7.01 N ATOM 1758 CA GLU B 37 8.972 9.502 -7.564 1.00 7.29 C ATOM 1759 C GLU B 37 9.738 8.333 -8.188 1.00 7.12 C ATOM 1760 O GLU B 37 10.928 8.451 -8.490 1.00 7.28 O ATOM 1761 CB GLU B 37 9.362 10.810 -8.260 1.00 7.94 C ATOM 1762 CG GLU B 37 9.170 10.785 -9.769 1.00 8.15 C ATOM 1763 CD GLU B 37 9.610 12.076 -10.434 1.00 8.62 C ATOM 1764 OE1 GLU B 37 10.813 12.204 -10.746 1.00 8.92 O ATOM 1765 OE2 GLU B 37 8.751 12.958 -10.645 1.00 8.93 O ATOM 0 H GLU B 37 9.443 10.553 -5.811 1.00 7.01 H new ATOM 0 HA GLU B 37 7.906 9.318 -7.700 1.00 7.29 H new ATOM 0 HB2 GLU B 37 8.770 11.624 -7.841 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.407 11.030 -8.040 1.00 7.94 H new ATOM 0 HG2 GLU B 37 9.735 9.953 -10.190 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.119 10.604 -9.995 1.00 8.15 H new ATOM 1772 N THR B 38 9.051 7.205 -8.369 1.00 6.83 N ATOM 1773 CA THR B 38 9.655 6.011 -8.962 1.00 6.67 C ATOM 1774 C THR B 38 9.069 5.726 -10.338 1.00 7.05 C ATOM 1775 O THR B 38 9.524 4.825 -11.043 1.00 7.02 O ATOM 1776 CB THR B 38 9.424 4.766 -8.080 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.040 4.665 -7.730 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.276 4.817 -6.821 1.00 5.76 C ATOM 0 H THR B 38 8.070 7.093 -8.112 1.00 6.83 H new ATOM 0 HA THR B 38 10.723 6.212 -9.044 1.00 6.67 H new ATOM 0 HB THR B 38 9.718 3.886 -8.652 1.00 6.06 H new ATOM 0 HG1 THR B 38 7.951 4.630 -6.755 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.091 3.926 -6.220 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.330 4.857 -7.096 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.018 5.704 -6.243 1.00 5.76 H new ATOM 1786 N GLY B 39 8.062 6.512 -10.714 1.00 7.47 N ATOM 1787 CA GLY B 39 7.410 6.322 -11.995 1.00 7.90 C ATOM 1788 C GLY B 39 6.181 5.444 -11.872 1.00 7.94 C ATOM 1789 O GLY B 39 5.417 5.294 -12.826 1.00 8.42 O ATOM 0 H GLY B 39 7.688 7.277 -10.152 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.126 7.291 -12.406 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.111 5.871 -12.697 1.00 7.90 H new ATOM 1793 N GLU B 40 5.999 4.858 -10.683 1.00 7.48 N ATOM 1794 CA GLU B 40 4.860 3.988 -10.416 1.00 7.53 C ATOM 1795 C GLU B 40 4.090 4.470 -9.188 1.00 7.35 C ATOM 1796 O GLU B 40 4.642 4.554 -8.090 1.00 6.94 O ATOM 1797 CB GLU B 40 5.328 2.544 -10.193 1.00 7.20 C ATOM 1798 CG GLU B 40 6.110 1.957 -11.361 1.00 7.44 C ATOM 1799 CD GLU B 40 7.509 2.534 -11.483 1.00 7.63 C ATOM 1800 OE1 GLU B 40 8.280 2.435 -10.504 1.00 7.96 O ATOM 1801 OE2 GLU B 40 7.835 3.082 -12.557 1.00 7.73 O ATOM 0 H GLU B 40 6.631 4.974 -9.891 1.00 7.48 H new ATOM 0 HA GLU B 40 4.201 4.021 -11.283 1.00 7.53 H new ATOM 0 HB2 GLU B 40 5.950 2.509 -9.299 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.458 1.917 -10.000 1.00 7.20 H new ATOM 0 HG2 GLU B 40 6.177 0.876 -11.240 1.00 7.44 H new ATOM 0 HG3 GLU B 40 5.564 2.141 -12.286 1.00 7.44 H new ATOM 1808 N ALA B 41 2.812 4.787 -9.385 1.00 7.70 N ATOM 1809 CA ALA B 41 1.956 5.257 -8.299 1.00 7.61 C ATOM 1810 C ALA B 41 1.843 4.215 -7.190 1.00 7.15 C ATOM 1811 O ALA B 41 1.619 3.033 -7.452 1.00 7.30 O ATOM 1812 CB ALA B 41 0.574 5.603 -8.838 1.00 8.20 C ATOM 0 H ALA B 41 2.346 4.726 -10.290 1.00 7.70 H new ATOM 0 HA ALA B 41 2.411 6.151 -7.873 1.00 7.61 H new ATOM 0 HB1 ALA B 41 -0.058 5.953 -8.022 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.663 6.387 -9.590 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.127 4.717 -9.289 1.00 8.20 H new ATOM 1818 N GLY B 42 2.001 4.670 -5.949 1.00 6.68 N ATOM 1819 CA GLY B 42 1.924 3.777 -4.805 1.00 6.22 C ATOM 1820 C GLY B 42 3.264 3.152 -4.459 1.00 5.64 C ATOM 1821 O GLY B 42 3.356 2.382 -3.503 1.00 5.21 O ATOM 0 H GLY B 42 2.182 5.646 -5.715 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.552 4.329 -3.942 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.202 2.987 -5.013 1.00 6.22 H new ATOM 1825 N TRP B 43 4.306 3.474 -5.226 1.00 5.67 N ATOM 1826 CA TRP B 43 5.628 2.903 -4.977 1.00 5.17 C ATOM 1827 C TRP B 43 6.678 3.979 -4.717 1.00 5.12 C ATOM 1828 O TRP B 43 6.833 4.920 -5.496 1.00 5.51 O ATOM 1829 CB TRP B 43 6.064 2.041 -6.164 1.00 5.28 C ATOM 1830 CG TRP B 43 5.231 0.809 -6.341 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.066 0.701 -7.045 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.500 -0.490 -5.806 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.596 -0.589 -6.979 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.459 -1.338 -6.223 1.00 5.25 C ATOM 1835 CE3 TRP B 43 6.521 -1.020 -5.014 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.413 -2.685 -5.874 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 6.474 -2.356 -4.668 1.00 4.21 C ATOM 1838 CH2 TRP B 43 5.428 -3.176 -5.099 1.00 4.58 C ATOM 0 H TRP B 43 4.261 4.119 -6.015 1.00 5.67 H new ATOM 0 HA TRP B 43 5.549 2.288 -4.081 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.015 2.638 -7.075 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.106 1.750 -6.029 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.585 1.510 -7.575 1.00 5.83 H new ATOM 0 HE1 TRP B 43 2.743 -0.933 -7.421 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.335 -0.395 -4.677 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 3.604 -3.320 -6.204 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.258 -2.774 -4.054 1.00 4.21 H new ATOM 0 HH2 TRP B 43 5.421 -4.218 -4.815 1.00 4.58 H new ATOM 1849 N TRP B 44 7.389 3.824 -3.595 1.00 4.72 N ATOM 1850 CA TRP B 44 8.456 4.742 -3.205 1.00 4.75 C ATOM 1851 C TRP B 44 9.790 4.006 -3.245 1.00 4.41 C ATOM 1852 O TRP B 44 9.817 2.775 -3.236 1.00 3.96 O ATOM 1853 CB TRP B 44 8.217 5.274 -1.790 1.00 4.63 C ATOM 1854 CG TRP B 44 7.262 6.427 -1.711 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.573 7.010 -2.737 1.00 5.56 C ATOM 1856 CD2 TRP B 44 6.895 7.140 -0.525 1.00 5.06 C ATOM 1857 NE1 TRP B 44 5.803 8.044 -2.259 1.00 5.87 N ATOM 1858 CE2 TRP B 44 5.984 8.142 -0.903 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.252 7.024 0.823 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.423 9.023 0.018 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 6.697 7.900 1.736 1.00 4.91 C ATOM 1862 CH2 TRP B 44 5.790 8.888 1.330 1.00 5.40 C ATOM 0 H TRP B 44 7.239 3.060 -2.936 1.00 4.72 H new ATOM 0 HA TRP B 44 8.469 5.582 -3.899 1.00 4.75 H new ATOM 0 HB2 TRP B 44 7.838 4.462 -1.170 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.173 5.581 -1.365 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.626 6.704 -3.771 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.196 8.641 -2.821 1.00 5.87 H new ATOM 0 HE3 TRP B 44 7.949 6.264 1.144 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 4.724 9.785 -0.292 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 6.966 7.822 2.779 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.372 9.557 2.068 1.00 5.40 H new ATOM 1873 N LYS B 45 10.894 4.751 -3.279 1.00 4.69 N ATOM 1874 CA LYS B 45 12.218 4.137 -3.318 1.00 4.50 C ATOM 1875 C LYS B 45 12.994 4.439 -2.044 1.00 4.49 C ATOM 1876 O LYS B 45 13.065 5.586 -1.599 1.00 4.93 O ATOM 1877 CB LYS B 45 13.013 4.634 -4.529 1.00 4.91 C ATOM 1878 CG LYS B 45 14.292 3.849 -4.787 1.00 4.77 C ATOM 1879 CD LYS B 45 13.998 2.463 -5.339 1.00 5.23 C ATOM 1880 CE LYS B 45 15.277 1.693 -5.632 1.00 5.18 C ATOM 1881 NZ LYS B 45 16.154 2.421 -6.591 1.00 5.33 N ATOM 0 H LYS B 45 10.898 5.771 -3.280 1.00 4.69 H new ATOM 0 HA LYS B 45 12.079 3.059 -3.401 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.380 4.581 -5.415 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.266 5.684 -4.380 1.00 4.91 H new ATOM 0 HG2 LYS B 45 14.919 4.396 -5.491 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.858 3.759 -3.860 1.00 4.77 H new ATOM 0 HD2 LYS B 45 13.394 1.906 -4.623 1.00 5.23 H new ATOM 0 HD3 LYS B 45 13.409 2.552 -6.252 1.00 5.23 H new ATOM 0 HE2 LYS B 45 15.819 1.522 -4.702 1.00 5.18 H new ATOM 0 HE3 LYS B 45 15.026 0.714 -6.040 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 16.386 1.798 -7.391 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 15.659 3.266 -6.942 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 17.031 2.708 -6.111 1.00 5.33 H new ATOM 1895 N GLY B 46 13.564 3.391 -1.461 1.00 4.06 N ATOM 1896 CA GLY B 46 14.337 3.542 -0.244 1.00 4.14 C ATOM 1897 C GLY B 46 15.582 2.680 -0.250 1.00 4.03 C ATOM 1898 O GLY B 46 15.789 1.890 -1.172 1.00 3.73 O ATOM 0 H GLY B 46 13.504 2.435 -1.812 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.621 4.587 -0.123 1.00 4.14 H new ATOM 0 HA3 GLY B 46 13.718 3.278 0.613 1.00 4.14 H new ATOM 1902 N GLU B 47 16.416 2.829 0.778 1.00 4.35 N ATOM 1903 CA GLU B 47 17.639 2.045 0.890 1.00 4.42 C ATOM 1904 C GLU B 47 17.681 1.322 2.228 1.00 4.29 C ATOM 1905 O GLU B 47 17.428 1.912 3.279 1.00 4.48 O ATOM 1906 CB GLU B 47 18.871 2.937 0.706 1.00 5.05 C ATOM 1907 CG GLU B 47 20.190 2.257 1.048 1.00 5.29 C ATOM 1908 CD GLU B 47 20.471 2.235 2.542 1.00 5.65 C ATOM 1909 OE1 GLU B 47 20.534 3.323 3.152 1.00 6.02 O ATOM 1910 OE2 GLU B 47 20.631 1.129 3.100 1.00 5.74 O ATOM 0 H GLU B 47 16.265 3.486 1.544 1.00 4.35 H new ATOM 0 HA GLU B 47 17.648 1.296 0.098 1.00 4.42 H new ATOM 0 HB2 GLU B 47 18.908 3.277 -0.329 1.00 5.05 H new ATOM 0 HB3 GLU B 47 18.760 3.824 1.330 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.175 1.235 0.671 1.00 5.29 H new ATOM 0 HG3 GLU B 47 21.003 2.773 0.537 1.00 5.29 H new ATOM 1917 N LEU B 48 18.008 0.039 2.166 1.00 4.02 N ATOM 1918 CA LEU B 48 18.104 -0.806 3.349 1.00 3.99 C ATOM 1919 C LEU B 48 19.434 -1.554 3.342 1.00 4.21 C ATOM 1920 O LEU B 48 20.140 -1.530 2.345 1.00 4.01 O ATOM 1921 CB LEU B 48 16.922 -1.777 3.439 1.00 3.43 C ATOM 1922 CG LEU B 48 16.730 -2.467 4.795 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.505 -1.441 5.899 1.00 3.78 C ATOM 1924 CD2 LEU B 48 15.566 -3.446 4.730 1.00 2.98 C ATOM 0 H LEU B 48 18.215 -0.447 1.293 1.00 4.02 H new ATOM 0 HA LEU B 48 18.064 -0.171 4.234 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.009 -1.233 3.197 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.048 -2.545 2.676 1.00 3.43 H new ATOM 0 HG LEU B 48 17.639 -3.021 5.029 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.371 -1.954 6.851 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.369 -0.779 5.962 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.614 -0.855 5.675 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.442 -3.928 5.700 1.00 2.98 H new ATOM 0 HD22 LEU B 48 14.653 -2.909 4.472 1.00 2.98 H new ATOM 0 HD23 LEU B 48 15.769 -4.202 3.972 1.00 2.98 H new ATOM 1936 N ASN B 49 19.736 -2.207 4.468 1.00 4.70 N ATOM 1937 CA ASN B 49 20.995 -2.944 4.691 1.00 5.05 C ATOM 1938 C ASN B 49 21.790 -3.292 3.417 1.00 5.24 C ATOM 1939 O ASN B 49 21.959 -4.465 3.078 1.00 5.39 O ATOM 1940 CB ASN B 49 20.672 -4.243 5.438 1.00 4.80 C ATOM 1941 CG ASN B 49 19.948 -3.997 6.751 1.00 4.86 C ATOM 1942 OD1 ASN B 49 20.141 -2.966 7.397 1.00 5.32 O ATOM 1943 ND2 ASN B 49 19.109 -4.945 7.151 1.00 4.62 N ATOM 0 H ASN B 49 19.104 -2.242 5.268 1.00 4.70 H new ATOM 0 HA ASN B 49 21.635 -2.273 5.264 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.057 -4.880 4.802 1.00 4.80 H new ATOM 0 HB3 ASN B 49 21.597 -4.785 5.633 1.00 4.80 H new ATOM 0 HD21 ASN B 49 18.594 -4.835 8.025 1.00 4.62 H new ATOM 0 HD22 ASN B 49 18.979 -5.783 6.585 1.00 4.62 H new ATOM 1950 N GLY B 50 22.262 -2.261 2.710 1.00 5.30 N ATOM 1951 CA GLY B 50 23.079 -2.466 1.518 1.00 5.53 C ATOM 1952 C GLY B 50 22.286 -2.701 0.241 1.00 5.10 C ATOM 1953 O GLY B 50 22.852 -2.654 -0.853 1.00 5.29 O ATOM 0 H GLY B 50 22.092 -1.283 2.943 1.00 5.30 H new ATOM 0 HA2 GLY B 50 23.719 -1.595 1.378 1.00 5.53 H new ATOM 0 HA3 GLY B 50 23.735 -3.320 1.685 1.00 5.53 H new ATOM 1957 N LYS B 51 20.985 -2.952 0.364 1.00 4.57 N ATOM 1958 CA LYS B 51 20.135 -3.193 -0.803 1.00 4.17 C ATOM 1959 C LYS B 51 19.020 -2.154 -0.895 1.00 3.96 C ATOM 1960 O LYS B 51 18.363 -1.848 0.097 1.00 3.78 O ATOM 1961 CB LYS B 51 19.529 -4.595 -0.715 1.00 3.78 C ATOM 1962 CG LYS B 51 20.562 -5.712 -0.788 1.00 4.06 C ATOM 1963 CD LYS B 51 20.327 -6.773 0.279 1.00 4.39 C ATOM 1964 CE LYS B 51 19.014 -7.512 0.062 1.00 4.78 C ATOM 1965 NZ LYS B 51 18.791 -8.562 1.095 1.00 5.33 N ATOM 0 H LYS B 51 20.495 -2.994 1.258 1.00 4.57 H new ATOM 0 HA LYS B 51 20.750 -3.113 -1.699 1.00 4.17 H new ATOM 0 HB2 LYS B 51 18.975 -4.684 0.220 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.810 -4.723 -1.525 1.00 3.78 H new ATOM 0 HG2 LYS B 51 20.527 -6.175 -1.774 1.00 4.06 H new ATOM 0 HG3 LYS B 51 21.561 -5.292 -0.668 1.00 4.06 H new ATOM 0 HD2 LYS B 51 21.151 -7.486 0.270 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.322 -6.304 1.263 1.00 4.39 H new ATOM 0 HE2 LYS B 51 18.189 -6.800 0.084 1.00 4.78 H new ATOM 0 HE3 LYS B 51 19.014 -7.970 -0.927 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 17.887 -9.042 0.912 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 19.565 -9.256 1.058 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 18.765 -8.122 2.037 1.00 5.33 H new ATOM 1979 N GLU B 52 18.814 -1.621 -2.099 1.00 4.08 N ATOM 1980 CA GLU B 52 17.773 -0.621 -2.342 1.00 4.05 C ATOM 1981 C GLU B 52 16.622 -1.240 -3.133 1.00 3.71 C ATOM 1982 O GLU B 52 16.836 -2.118 -3.969 1.00 3.93 O ATOM 1983 CB GLU B 52 18.349 0.580 -3.100 1.00 4.59 C ATOM 1984 CG GLU B 52 18.978 0.218 -4.437 1.00 4.83 C ATOM 1985 CD GLU B 52 19.631 1.409 -5.113 1.00 5.32 C ATOM 1986 OE1 GLU B 52 18.924 2.144 -5.836 1.00 5.49 O ATOM 1987 OE2 GLU B 52 20.848 1.610 -4.918 1.00 5.79 O ATOM 0 H GLU B 52 19.358 -1.867 -2.926 1.00 4.08 H new ATOM 0 HA GLU B 52 17.394 -0.275 -1.380 1.00 4.05 H new ATOM 0 HB2 GLU B 52 17.554 1.307 -3.268 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.099 1.066 -2.476 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.723 -0.563 -4.285 1.00 4.83 H new ATOM 0 HG3 GLU B 52 18.213 -0.195 -5.095 1.00 4.83 H new ATOM 1994 N GLY B 53 15.400 -0.776 -2.861 1.00 3.32 N ATOM 1995 CA GLY B 53 14.240 -1.291 -3.569 1.00 3.12 C ATOM 1996 C GLY B 53 12.975 -0.517 -3.253 1.00 3.18 C ATOM 1997 O GLY B 53 13.010 0.462 -2.505 1.00 3.35 O ATOM 0 H GLY B 53 15.196 -0.057 -2.167 1.00 3.32 H new ATOM 0 HA2 GLY B 53 14.427 -1.252 -4.642 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.095 -2.339 -3.308 1.00 3.12 H new ATOM 2001 N VAL B 54 11.851 -0.957 -3.822 1.00 3.17 N ATOM 2002 CA VAL B 54 10.574 -0.276 -3.608 1.00 3.38 C ATOM 2003 C VAL B 54 9.590 -1.134 -2.811 1.00 3.02 C ATOM 2004 O VAL B 54 9.746 -2.352 -2.713 1.00 2.70 O ATOM 2005 CB VAL B 54 9.934 0.135 -4.951 1.00 3.83 C ATOM 2006 CG1 VAL B 54 10.838 1.105 -5.702 1.00 4.30 C ATOM 2007 CG2 VAL B 54 9.636 -1.090 -5.805 1.00 3.70 C ATOM 0 H VAL B 54 11.799 -1.775 -4.429 1.00 3.17 H new ATOM 0 HA VAL B 54 10.792 0.619 -3.025 1.00 3.38 H new ATOM 0 HB VAL B 54 8.991 0.639 -4.738 1.00 3.83 H new ATOM 0 HG11 VAL B 54 10.369 1.383 -6.646 1.00 4.30 H new ATOM 0 HG12 VAL B 54 10.994 1.999 -5.098 1.00 4.30 H new ATOM 0 HG13 VAL B 54 11.798 0.628 -5.900 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.185 -0.776 -6.747 1.00 3.70 H new ATOM 0 HG22 VAL B 54 10.563 -1.627 -6.007 1.00 3.70 H new ATOM 0 HG23 VAL B 54 8.946 -1.745 -5.273 1.00 3.70 H new ATOM 2017 N PHE B 55 8.577 -0.472 -2.235 1.00 3.13 N ATOM 2018 CA PHE B 55 7.550 -1.160 -1.450 1.00 2.90 C ATOM 2019 C PHE B 55 6.149 -0.850 -1.983 1.00 3.35 C ATOM 2020 O PHE B 55 5.906 0.234 -2.516 1.00 3.72 O ATOM 2021 CB PHE B 55 7.660 -0.771 0.025 1.00 2.46 C ATOM 2022 CG PHE B 55 8.064 0.658 0.255 1.00 2.71 C ATOM 2023 CD1 PHE B 55 9.405 1.005 0.353 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.108 1.653 0.382 1.00 2.88 C ATOM 2025 CE1 PHE B 55 9.782 2.315 0.574 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.480 2.964 0.602 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.818 3.296 0.700 1.00 3.42 C ATOM 0 H PHE B 55 8.449 0.538 -2.299 1.00 3.13 H new ATOM 0 HA PHE B 55 7.715 -2.234 -1.543 1.00 2.90 H new ATOM 0 HB2 PHE B 55 6.699 -0.948 0.509 1.00 2.46 H new ATOM 0 HB3 PHE B 55 8.386 -1.425 0.509 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.162 0.241 0.255 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.061 1.400 0.308 1.00 2.88 H new ATOM 0 HE1 PHE B 55 10.828 2.572 0.648 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.725 3.731 0.698 1.00 3.20 H new ATOM 0 HZ PHE B 55 9.109 4.321 0.875 1.00 3.42 H new ATOM 2037 N PRO B 56 5.207 -1.807 -1.837 1.00 3.43 N ATOM 2038 CA PRO B 56 3.837 -1.662 -2.351 1.00 3.90 C ATOM 2039 C PRO B 56 2.910 -0.795 -1.497 1.00 3.87 C ATOM 2040 O PRO B 56 2.688 -1.062 -0.319 1.00 3.45 O ATOM 2041 CB PRO B 56 3.332 -3.101 -2.366 1.00 3.97 C ATOM 2042 CG PRO B 56 4.057 -3.765 -1.246 1.00 3.68 C ATOM 2043 CD PRO B 56 5.410 -3.108 -1.170 1.00 3.17 C ATOM 0 HA PRO B 56 3.843 -1.152 -3.314 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.253 -3.144 -2.220 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.545 -3.586 -3.319 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.515 -3.648 -0.308 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.154 -4.836 -1.426 1.00 3.68 H new ATOM 0 HD2 PRO B 56 5.736 -2.982 -0.138 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.172 -3.702 -1.675 1.00 3.17 H new ATOM 2051 N ASP B 57 2.376 0.242 -2.131 1.00 4.36 N ATOM 2052 CA ASP B 57 1.425 1.168 -1.513 1.00 4.47 C ATOM 2053 C ASP B 57 1.889 1.740 -0.171 1.00 4.41 C ATOM 2054 O ASP B 57 1.101 1.813 0.773 1.00 4.40 O ATOM 2055 CB ASP B 57 -0.003 0.621 -1.474 1.00 5.09 C ATOM 2056 CG ASP B 57 -0.500 0.205 -2.846 1.00 5.56 C ATOM 2057 OD1 ASP B 57 -0.243 -0.951 -3.246 1.00 5.83 O ATOM 2058 OD2 ASP B 57 -1.146 1.034 -3.521 1.00 5.85 O ATOM 0 H ASP B 57 2.592 0.469 -3.102 1.00 4.36 H new ATOM 0 HA ASP B 57 1.398 2.028 -2.183 1.00 4.47 H new ATOM 0 HB2 ASP B 57 -0.043 -0.235 -0.801 1.00 5.09 H new ATOM 0 HB3 ASP B 57 -0.669 1.380 -1.064 1.00 5.09 H new ATOM 2063 N ASN B 58 3.139 2.142 -0.078 1.00 4.46 N ATOM 2064 CA ASN B 58 3.690 2.724 1.145 1.00 4.51 C ATOM 2065 C ASN B 58 3.644 1.790 2.361 1.00 3.97 C ATOM 2066 O ASN B 58 2.650 1.740 3.087 1.00 4.05 O ATOM 2067 CB ASN B 58 2.969 4.035 1.473 1.00 4.96 C ATOM 2068 CG ASN B 58 3.632 4.790 2.609 1.00 5.23 C ATOM 2069 OD1 ASN B 58 4.479 5.654 2.384 1.00 5.40 O ATOM 2070 ND2 ASN B 58 3.252 4.463 3.837 1.00 5.67 N ATOM 0 H ASN B 58 3.809 2.078 -0.845 1.00 4.46 H new ATOM 0 HA ASN B 58 4.745 2.906 0.940 1.00 4.51 H new ATOM 0 HB2 ASN B 58 2.947 4.666 0.585 1.00 4.96 H new ATOM 0 HB3 ASN B 58 1.934 3.821 1.738 1.00 4.96 H new ATOM 0 HD21 ASN B 58 3.666 4.934 4.641 1.00 5.67 H new ATOM 0 HD22 ASN B 58 2.546 3.740 3.977 1.00 5.67 H new ATOM 2077 N PHE B 59 4.731 1.045 2.561 1.00 3.50 N ATOM 2078 CA PHE B 59 4.865 0.159 3.719 1.00 3.01 C ATOM 2079 C PHE B 59 5.786 0.829 4.735 1.00 2.75 C ATOM 2080 O PHE B 59 6.303 0.170 5.640 1.00 2.44 O ATOM 2081 CB PHE B 59 5.435 -1.199 3.295 1.00 2.72 C ATOM 2082 CG PHE B 59 4.389 -2.266 3.117 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.278 -2.039 2.322 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.520 -3.498 3.742 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.316 -3.016 2.153 1.00 3.79 C ATOM 2086 CE2 PHE B 59 3.562 -4.479 3.577 1.00 3.86 C ATOM 2087 CZ PHE B 59 2.458 -4.239 2.782 1.00 3.89 C ATOM 0 H PHE B 59 5.535 1.037 1.934 1.00 3.50 H new ATOM 0 HA PHE B 59 3.886 -0.016 4.164 1.00 3.01 H new ATOM 0 HB2 PHE B 59 5.980 -1.078 2.359 1.00 2.72 H new ATOM 0 HB3 PHE B 59 6.155 -1.530 4.043 1.00 2.72 H new ATOM 0 HD1 PHE B 59 3.162 -1.086 1.828 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.381 -3.692 4.365 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.454 -2.825 1.531 1.00 3.79 H new ATOM 0 HE2 PHE B 59 3.676 -5.433 4.069 1.00 3.86 H new ATOM 0 HZ PHE B 59 1.708 -5.005 2.652 1.00 3.89 H new ATOM 2097 N ALA B 60 5.983 2.138 4.593 1.00 3.02 N ATOM 2098 CA ALA B 60 6.842 2.882 5.507 1.00 3.01 C ATOM 2099 C ALA B 60 6.333 4.303 5.724 1.00 3.51 C ATOM 2100 O ALA B 60 5.913 4.968 4.776 1.00 3.89 O ATOM 2101 CB ALA B 60 8.264 2.911 4.967 1.00 2.92 C ATOM 0 H ALA B 60 5.560 2.702 3.856 1.00 3.02 H new ATOM 0 HA ALA B 60 6.828 2.375 6.472 1.00 3.01 H new ATOM 0 HB1 ALA B 60 8.902 3.468 5.653 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.637 1.892 4.870 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.272 3.394 3.990 1.00 2.92 H new ATOM 2107 N VAL B 61 6.378 4.767 6.974 1.00 3.59 N ATOM 2108 CA VAL B 61 5.910 6.108 7.311 1.00 4.08 C ATOM 2109 C VAL B 61 7.073 7.030 7.660 1.00 4.32 C ATOM 2110 O VAL B 61 7.844 6.745 8.577 1.00 4.19 O ATOM 2111 CB VAL B 61 4.903 6.075 8.485 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.497 5.372 9.698 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.447 7.482 8.847 1.00 4.64 C ATOM 0 H VAL B 61 6.734 4.233 7.767 1.00 3.59 H new ATOM 0 HA VAL B 61 5.405 6.499 6.428 1.00 4.08 H new ATOM 0 HB VAL B 61 4.031 5.506 8.161 1.00 4.13 H new ATOM 0 HG11 VAL B 61 4.767 5.364 10.507 1.00 3.91 H new ATOM 0 HG12 VAL B 61 5.757 4.347 9.433 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.393 5.901 10.023 1.00 3.91 H new ATOM 0 HG21 VAL B 61 3.740 7.433 9.675 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.310 8.080 9.142 1.00 4.64 H new ATOM 0 HG23 VAL B 61 3.965 7.942 7.984 1.00 4.64 H new ATOM 2123 N GLN B 62 7.207 8.136 6.919 1.00 4.79 N ATOM 2124 CA GLN B 62 8.283 9.089 7.168 1.00 5.14 C ATOM 2125 C GLN B 62 8.270 9.545 8.625 1.00 5.36 C ATOM 2126 O GLN B 62 7.235 9.498 9.292 1.00 5.56 O ATOM 2127 CB GLN B 62 8.165 10.295 6.232 1.00 5.63 C ATOM 2128 CG GLN B 62 9.454 11.093 6.111 1.00 6.02 C ATOM 2129 CD GLN B 62 9.362 12.216 5.094 1.00 6.30 C ATOM 2130 OE1 GLN B 62 8.620 12.128 4.115 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.123 13.281 5.321 1.00 6.72 N ATOM 0 H GLN B 62 6.587 8.388 6.149 1.00 4.79 H new ATOM 0 HA GLN B 62 9.232 8.590 6.969 1.00 5.14 H new ATOM 0 HB2 GLN B 62 7.866 9.950 5.242 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.373 10.951 6.594 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.709 11.512 7.085 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.266 10.422 5.831 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.723 13.312 6.145 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.107 14.067 4.671 1.00 6.72 H new ATOM 2140 N ILE B 63 9.426 9.991 9.107 1.00 5.39 N ATOM 2141 CA ILE B 63 9.565 10.456 10.483 1.00 5.68 C ATOM 2142 C ILE B 63 10.306 11.786 10.528 1.00 6.23 C ATOM 2143 O ILE B 63 9.842 12.746 11.144 1.00 6.54 O ATOM 2144 CB ILE B 63 10.322 9.428 11.352 1.00 5.55 C ATOM 2145 CG1 ILE B 63 9.656 8.051 11.251 1.00 5.23 C ATOM 2146 CG2 ILE B 63 10.378 9.894 12.803 1.00 5.71 C ATOM 2147 CD1 ILE B 63 10.409 6.957 11.977 1.00 5.25 C ATOM 0 H ILE B 63 10.286 10.040 8.560 1.00 5.39 H new ATOM 0 HA ILE B 63 8.559 10.583 10.883 1.00 5.68 H new ATOM 0 HB ILE B 63 11.343 9.344 10.981 1.00 5.55 H new ATOM 0 HG12 ILE B 63 8.646 8.115 11.656 1.00 5.23 H new ATOM 0 HG13 ILE B 63 9.561 7.779 10.200 1.00 5.23 H new ATOM 0 HG21 ILE B 63 10.915 9.158 13.401 1.00 5.71 H new ATOM 0 HG22 ILE B 63 10.894 10.852 12.858 1.00 5.71 H new ATOM 0 HG23 ILE B 63 9.365 10.005 13.189 1.00 5.71 H new ATOM 0 HD11 ILE B 63 9.878 6.012 11.862 1.00 5.25 H new ATOM 0 HD12 ILE B 63 11.411 6.865 11.557 1.00 5.25 H new ATOM 0 HD13 ILE B 63 10.481 7.206 13.036 1.00 5.25 H new ATOM 2159 N SER B 64 11.463 11.830 9.872 1.00 6.41 N ATOM 2160 CA SER B 64 12.280 13.036 9.830 1.00 6.97 C ATOM 2161 C SER B 64 13.330 12.939 8.725 1.00 7.20 C ATOM 2162 O SER B 64 14.342 12.237 8.930 1.00 7.43 O ATOM 2163 CB SER B 64 12.957 13.265 11.186 1.00 7.23 C ATOM 2164 OG SER B 64 13.765 14.429 11.164 1.00 7.19 O ATOM 2165 OXT SER B 64 13.128 13.567 7.664 1.00 7.37 O ATOM 0 H SER B 64 11.856 11.040 9.361 1.00 6.41 H new ATOM 0 HA SER B 64 11.630 13.884 9.613 1.00 6.97 H new ATOM 0 HB2 SER B 64 12.198 13.360 11.963 1.00 7.23 H new ATOM 0 HB3 SER B 64 13.568 12.399 11.441 1.00 7.23 H new ATOM 0 HG SER B 64 14.184 14.553 12.041 1.00 7.19 H new TER 2171 SER B 64