USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1114 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: B 23 MET CE :methyl -154:sc= -1.79! (180deg=-5.03!) USER MOD Set 1.2: B 42 HIS : no HD1:sc= 0.138 K(o=-1.7,f=-4.9!) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 166:sc= -0.0274 (180deg=-0.236) USER MOD Set 2.2: A 51 THR OG1 : rot 25:sc= -0.162 USER MOD Set 3.1: A 44 CYS SG : rot 81:sc= 0.131 USER MOD Set 3.2: B 55 MET CE :methyl 152:sc= -0.0264 (180deg=-0.348) USER MOD Set 4.1: A 23 MET CE :methyl -158:sc= -2.33! (180deg=-4.18!) USER MOD Set 4.2: A 42 HIS : no HD1:sc= -0.121 K(o=-2.5,f=-4.8!) USER MOD Single : A 3 SER OG : rot 37:sc= 0.32 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.878) USER MOD Single : A 9 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.87) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot -41:sc= 0.733 USER MOD Single : A 25 MET CE :methyl 158:sc= -1.07 (180deg=-2.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.12) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 46 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 170:sc= -0.31 (180deg=-0.449) USER MOD Single : A 57 THR OG1 : rot -176:sc= -1.59! USER MOD Single : A 58 SER OG : rot 64:sc= 0.834 USER MOD Single : A 62 LYS NZ :NH3+ -131:sc= 1.25 (180deg=0.424) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 127:sc= 1.24 (180deg=0.215) USER MOD Single : B 9 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.47) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 THR OG1 : rot 72:sc= 1.15 USER MOD Single : B 25 MET CE :methyl 160:sc= -0.271 (180deg=-0.432) USER MOD Single : B 26 SER OG : rot -73:sc= 1.26 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 32 ASN : amide:sc= 0.183 K(o=0.18,f=-4!) USER MOD Single : B 33 ASN : amide:sc= -0.222 K(o=-0.22,f=-4!) USER MOD Single : B 40 ASN : amide:sc= 0.465 X(o=0.47,f=0) USER MOD Single : B 44 CYS SG : rot 82:sc= 0.0059 USER MOD Single : B 46 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.8) USER MOD Single : B 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0106) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -21:sc= 0.835 USER MOD Single : B 57 THR OG1 : rot 52:sc= 0.284 USER MOD Single : B 58 SER OG : rot 64:sc= 0.463 USER MOD Single : B 62 LYS NZ :NH3+ -146:sc= 0.843 (180deg=-1.32) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.112 USER MOD Single : B 72 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 3 -16.597 -10.388 3.044 1.00 0.51 N ATOM 52 CA SER A 3 -17.453 -9.428 2.377 1.00 0.45 C ATOM 53 C SER A 3 -16.609 -8.276 1.851 1.00 0.34 C ATOM 54 O SER A 3 -15.424 -8.202 2.159 1.00 0.30 O ATOM 55 CB SER A 3 -18.510 -8.902 3.346 1.00 0.50 C ATOM 56 OG SER A 3 -19.064 -9.959 4.110 1.00 0.72 O ATOM 0 HA SER A 3 -17.958 -9.916 1.543 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.064 -8.162 4.011 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.300 -8.397 2.790 1.00 0.50 H new ATOM 0 HG SER A 3 -18.365 -10.613 4.319 1.00 0.72 H new ATOM 62 N LYS A 4 -17.203 -7.386 1.073 1.00 0.32 N ATOM 63 CA LYS A 4 -16.484 -6.217 0.559 1.00 0.28 C ATOM 64 C LYS A 4 -15.826 -5.424 1.699 1.00 0.22 C ATOM 65 O LYS A 4 -14.753 -4.844 1.529 1.00 0.22 O ATOM 66 CB LYS A 4 -17.438 -5.325 -0.232 1.00 0.36 C ATOM 67 CG LYS A 4 -18.224 -6.076 -1.301 1.00 0.88 C ATOM 68 CD LYS A 4 -18.797 -5.138 -2.358 1.00 0.88 C ATOM 69 CE LYS A 4 -19.514 -3.958 -1.734 1.00 0.40 C ATOM 70 NZ LYS A 4 -20.628 -4.401 -0.854 1.00 1.69 N ATOM 0 H LYS A 4 -18.178 -7.444 0.780 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.692 -6.566 -0.103 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.137 -4.852 0.458 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.868 -4.526 -0.705 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.574 -6.808 -1.781 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -19.036 -6.630 -0.831 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -17.992 -4.777 -2.998 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.489 -5.688 -2.995 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -18.806 -3.365 -1.156 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -19.905 -3.311 -2.520 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -21.021 -3.580 -0.352 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -21.372 -4.842 -1.431 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.271 -5.091 -0.163 1.00 1.69 H new ATOM 84 N LEU A 5 -16.470 -5.416 2.864 1.00 0.22 N ATOM 85 CA LEU A 5 -15.921 -4.746 4.042 1.00 0.22 C ATOM 86 C LEU A 5 -14.729 -5.502 4.609 1.00 0.22 C ATOM 87 O LEU A 5 -13.768 -4.891 5.069 1.00 0.24 O ATOM 88 CB LEU A 5 -17.002 -4.542 5.108 1.00 0.25 C ATOM 89 CG LEU A 5 -16.515 -4.163 6.504 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.491 -3.206 7.164 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.345 -5.403 7.369 1.00 0.34 C ATOM 0 H LEU A 5 -17.372 -5.866 3.018 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.566 -3.765 3.728 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.682 -3.764 4.761 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.582 -5.461 5.186 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.548 -3.671 6.403 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.129 -2.946 8.159 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.578 -2.302 6.561 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.468 -3.682 7.247 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -15.997 -5.111 8.360 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.301 -5.919 7.458 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.615 -6.069 6.910 1.00 0.34 H new ATOM 103 N ALA A 6 -14.791 -6.822 4.590 1.00 0.23 N ATOM 104 CA ALA A 6 -13.646 -7.622 4.992 1.00 0.24 C ATOM 105 C ALA A 6 -12.422 -7.198 4.191 1.00 0.22 C ATOM 106 O ALA A 6 -11.327 -7.090 4.737 1.00 0.24 O ATOM 107 CB ALA A 6 -13.931 -9.108 4.811 1.00 0.28 C ATOM 0 H ALA A 6 -15.611 -7.358 4.304 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.449 -7.454 6.051 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.059 -9.686 5.118 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.788 -9.391 5.422 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.150 -9.311 3.763 1.00 0.28 H new ATOM 113 N LEU A 7 -12.636 -6.901 2.911 1.00 0.20 N ATOM 114 CA LEU A 7 -11.564 -6.444 2.030 1.00 0.19 C ATOM 115 C LEU A 7 -11.047 -5.063 2.441 1.00 0.18 C ATOM 116 O LEU A 7 -9.848 -4.883 2.633 1.00 0.18 O ATOM 117 CB LEU A 7 -12.062 -6.378 0.581 1.00 0.20 C ATOM 118 CG LEU A 7 -12.104 -7.701 -0.197 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.915 -8.763 0.526 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.686 -7.463 -1.577 1.00 0.25 C ATOM 0 H LEU A 7 -13.548 -6.969 2.459 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.747 -7.161 2.113 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.066 -5.955 0.586 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.425 -5.682 0.034 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.081 -8.068 -0.280 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.917 -9.681 -0.061 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.471 -8.957 1.503 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -13.939 -8.413 0.656 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.715 -8.404 -2.127 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.697 -7.067 -1.482 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.065 -6.747 -2.115 1.00 0.25 H new ATOM 132 N ILE A 8 -11.953 -4.093 2.593 1.00 0.17 N ATOM 133 CA ILE A 8 -11.552 -2.739 2.985 1.00 0.17 C ATOM 134 C ILE A 8 -10.874 -2.719 4.356 1.00 0.18 C ATOM 135 O ILE A 8 -9.930 -1.967 4.570 1.00 0.20 O ATOM 136 CB ILE A 8 -12.727 -1.713 2.926 1.00 0.18 C ATOM 137 CG1 ILE A 8 -13.983 -2.235 3.611 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.024 -1.314 1.491 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.098 -1.788 5.051 1.00 0.24 C ATOM 0 H ILE A 8 -12.956 -4.217 2.453 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.820 -2.421 2.243 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.406 -0.828 3.475 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.859 -1.895 3.059 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -13.985 -3.324 3.573 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.846 -0.599 1.475 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.138 -0.858 1.049 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.301 -2.198 0.917 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.013 -2.191 5.485 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.238 -2.151 5.614 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.126 -0.699 5.093 1.00 0.24 H new ATOM 151 N GLN A 9 -11.321 -3.568 5.271 1.00 0.19 N ATOM 152 CA GLN A 9 -10.723 -3.623 6.600 1.00 0.21 C ATOM 153 C GLN A 9 -9.355 -4.305 6.577 1.00 0.22 C ATOM 154 O GLN A 9 -8.463 -3.948 7.347 1.00 0.24 O ATOM 155 CB GLN A 9 -11.636 -4.341 7.592 1.00 0.22 C ATOM 156 CG GLN A 9 -12.932 -3.602 7.886 1.00 0.29 C ATOM 157 CD GLN A 9 -13.661 -4.170 9.086 1.00 0.90 C ATOM 158 OE1 GLN A 9 -13.576 -5.368 9.370 1.00 1.82 O ATOM 159 NE2 GLN A 9 -14.381 -3.323 9.802 1.00 1.37 N ATOM 0 H GLN A 9 -12.088 -4.223 5.121 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.590 -2.591 6.925 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.874 -5.330 7.201 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.095 -4.490 8.526 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -12.715 -2.548 8.062 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.582 -3.652 7.012 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -14.426 -2.340 9.535 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -14.891 -3.653 10.621 1.00 1.37 H new ATOM 168 N GLU A 10 -9.203 -5.316 5.731 1.00 0.21 N ATOM 169 CA GLU A 10 -7.939 -6.044 5.632 1.00 0.23 C ATOM 170 C GLU A 10 -6.890 -5.286 4.836 1.00 0.21 C ATOM 171 O GLU A 10 -5.711 -5.588 4.959 1.00 0.22 O ATOM 172 CB GLU A 10 -8.129 -7.465 5.086 1.00 0.25 C ATOM 173 CG GLU A 10 -8.525 -7.543 3.621 1.00 0.24 C ATOM 174 CD GLU A 10 -8.684 -8.973 3.147 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.652 -9.660 2.966 1.00 1.11 O ATOM 176 OE2 GLU A 10 -9.829 -9.429 2.963 1.00 1.15 O ATOM 0 H GLU A 10 -9.935 -5.652 5.105 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.565 -6.133 6.652 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.201 -8.019 5.226 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.892 -7.967 5.680 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.461 -7.006 3.470 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.770 -7.043 3.015 1.00 0.24 H new ATOM 183 N LEU A 11 -7.315 -4.350 3.986 1.00 0.18 N ATOM 184 CA LEU A 11 -6.372 -3.546 3.195 1.00 0.18 C ATOM 185 C LEU A 11 -5.181 -3.060 4.039 1.00 0.18 C ATOM 186 O LEU A 11 -4.035 -3.228 3.625 1.00 0.17 O ATOM 187 CB LEU A 11 -7.063 -2.344 2.536 1.00 0.19 C ATOM 188 CG LEU A 11 -8.146 -2.679 1.515 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.657 -1.412 0.858 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.623 -3.642 0.467 1.00 0.25 C ATOM 0 H LEU A 11 -8.298 -4.128 3.826 1.00 0.18 H new ATOM 0 HA LEU A 11 -5.994 -4.203 2.412 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.506 -1.729 3.319 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.303 -1.736 2.045 1.00 0.19 H new ATOM 0 HG LEU A 11 -8.971 -3.162 2.038 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.429 -1.665 0.132 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.075 -0.752 1.618 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -7.834 -0.907 0.352 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.414 -3.865 -0.249 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.779 -3.190 -0.054 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.300 -4.564 0.949 1.00 0.25 H new ATOM 202 N PRO A 12 -5.418 -2.447 5.226 1.00 0.21 N ATOM 203 CA PRO A 12 -4.333 -2.050 6.131 1.00 0.25 C ATOM 204 C PRO A 12 -3.363 -3.187 6.443 1.00 0.26 C ATOM 205 O PRO A 12 -2.150 -2.993 6.468 1.00 0.28 O ATOM 206 CB PRO A 12 -5.064 -1.614 7.400 1.00 0.30 C ATOM 207 CG PRO A 12 -6.395 -1.159 6.925 1.00 0.27 C ATOM 208 CD PRO A 12 -6.738 -2.040 5.759 1.00 0.22 C ATOM 0 HA PRO A 12 -3.713 -1.272 5.685 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.156 -2.438 8.108 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.530 -0.813 7.910 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.142 -1.246 7.714 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.366 -0.111 6.628 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.328 -2.903 6.069 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.324 -1.505 5.012 1.00 0.22 H new ATOM 216 N ASP A 13 -3.905 -4.373 6.670 1.00 0.26 N ATOM 217 CA ASP A 13 -3.098 -5.541 7.004 1.00 0.29 C ATOM 218 C ASP A 13 -2.332 -6.037 5.778 1.00 0.25 C ATOM 219 O ASP A 13 -1.141 -6.331 5.849 1.00 0.26 O ATOM 220 CB ASP A 13 -4.000 -6.649 7.552 1.00 0.36 C ATOM 221 CG ASP A 13 -3.237 -7.899 7.929 1.00 0.98 C ATOM 222 OD1 ASP A 13 -2.749 -7.972 9.075 1.00 1.40 O ATOM 223 OD2 ASP A 13 -3.150 -8.819 7.090 1.00 1.86 O ATOM 0 H ASP A 13 -4.908 -4.555 6.629 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.371 -5.260 7.766 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.532 -6.277 8.427 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -4.752 -6.901 6.804 1.00 0.36 H new ATOM 228 N ARG A 14 -3.036 -6.120 4.657 1.00 0.22 N ATOM 229 CA ARG A 14 -2.427 -6.478 3.380 1.00 0.22 C ATOM 230 C ARG A 14 -1.277 -5.552 3.047 1.00 0.20 C ATOM 231 O ARG A 14 -0.248 -5.996 2.568 1.00 0.22 O ATOM 232 CB ARG A 14 -3.445 -6.422 2.242 1.00 0.28 C ATOM 233 CG ARG A 14 -4.354 -7.630 2.147 1.00 0.53 C ATOM 234 CD ARG A 14 -5.395 -7.431 1.055 1.00 0.50 C ATOM 235 NE ARG A 14 -6.306 -8.568 0.943 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.602 -9.191 -0.197 1.00 0.72 C ATOM 237 NH1 ARG A 14 -5.997 -8.854 -1.335 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.494 -10.170 -0.197 1.00 1.15 N ATOM 0 H ARG A 14 -4.039 -5.943 4.605 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.057 -7.498 3.482 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.060 -5.530 2.366 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -2.910 -6.312 1.299 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.763 -8.521 1.936 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.849 -7.795 3.104 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -5.969 -6.528 1.263 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.892 -7.276 0.101 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.746 -8.909 1.798 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.298 -8.111 -1.340 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.233 -9.339 -2.201 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.951 -10.444 0.673 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.724 -10.650 -1.067 1.00 1.15 H new ATOM 252 N ILE A 15 -1.460 -4.266 3.290 1.00 0.19 N ATOM 253 CA ILE A 15 -0.420 -3.298 3.003 1.00 0.20 C ATOM 254 C ILE A 15 0.676 -3.375 4.056 1.00 0.21 C ATOM 255 O ILE A 15 1.845 -3.166 3.761 1.00 0.21 O ATOM 256 CB ILE A 15 -0.997 -1.871 2.886 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.358 -1.144 1.698 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.825 -1.080 4.172 1.00 0.25 C ATOM 259 CD1 ILE A 15 1.053 -0.663 1.929 1.00 0.25 C ATOM 0 H ILE A 15 -2.314 -3.871 3.683 1.00 0.19 H new ATOM 0 HA ILE A 15 0.021 -3.543 2.036 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.070 -1.955 2.712 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.361 -1.813 0.837 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -0.980 -0.287 1.438 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.245 -0.082 4.044 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.342 -1.590 4.985 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.236 -0.999 4.410 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.418 -0.162 1.032 1.00 0.25 H new ATOM 0 HD12 ILE A 15 1.067 0.035 2.766 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.695 -1.514 2.156 1.00 0.25 H new ATOM 271 N GLN A 16 0.298 -3.712 5.279 1.00 0.23 N ATOM 272 CA GLN A 16 1.276 -3.975 6.316 1.00 0.26 C ATOM 273 C GLN A 16 2.196 -5.099 5.863 1.00 0.25 C ATOM 274 O GLN A 16 3.406 -5.042 6.059 1.00 0.29 O ATOM 275 CB GLN A 16 0.580 -4.348 7.621 1.00 0.33 C ATOM 276 CG GLN A 16 1.531 -4.806 8.708 1.00 0.78 C ATOM 277 CD GLN A 16 0.808 -5.238 9.963 1.00 1.16 C ATOM 278 OE1 GLN A 16 0.592 -4.442 10.874 1.00 1.70 O ATOM 279 NE2 GLN A 16 0.402 -6.498 10.007 1.00 1.91 N ATOM 0 H GLN A 16 -0.674 -3.809 5.574 1.00 0.23 H new ATOM 0 HA GLN A 16 1.866 -3.076 6.493 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.017 -3.487 7.982 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.142 -5.141 7.424 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.132 -5.635 8.335 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.219 -3.996 8.949 1.00 0.78 H new ATOM 0 HE21 GLN A 16 0.602 -7.126 9.229 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.111 -6.840 10.819 1.00 1.91 H new ATOM 288 N THR A 17 1.607 -6.096 5.224 1.00 0.23 N ATOM 289 CA THR A 17 2.350 -7.229 4.711 1.00 0.25 C ATOM 290 C THR A 17 3.030 -6.905 3.379 1.00 0.22 C ATOM 291 O THR A 17 4.101 -7.433 3.067 1.00 0.27 O ATOM 292 CB THR A 17 1.423 -8.455 4.584 1.00 0.30 C ATOM 293 OG1 THR A 17 1.021 -8.874 5.894 1.00 0.38 O ATOM 294 CG2 THR A 17 2.091 -9.617 3.864 1.00 0.32 C ATOM 0 H THR A 17 0.603 -6.141 5.048 1.00 0.23 H new ATOM 0 HA THR A 17 3.143 -7.465 5.420 1.00 0.25 H new ATOM 0 HB THR A 17 0.559 -8.158 3.989 1.00 0.30 H new ATOM 0 HG1 THR A 17 1.788 -8.827 6.502 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.396 -10.454 3.801 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.377 -9.306 2.859 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.980 -9.924 4.415 1.00 0.32 H new ATOM 302 N ALA A 18 2.419 -6.023 2.609 1.00 0.22 N ATOM 303 CA ALA A 18 3.015 -5.528 1.383 1.00 0.23 C ATOM 304 C ALA A 18 4.339 -4.851 1.687 1.00 0.24 C ATOM 305 O ALA A 18 5.267 -4.884 0.888 1.00 0.29 O ATOM 306 CB ALA A 18 2.071 -4.554 0.692 1.00 0.26 C ATOM 0 H ALA A 18 1.500 -5.632 2.815 1.00 0.22 H new ATOM 0 HA ALA A 18 3.194 -6.370 0.714 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.532 -4.191 -0.227 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.136 -5.061 0.453 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.868 -3.712 1.354 1.00 0.26 H new ATOM 312 N VAL A 19 4.420 -4.259 2.868 1.00 0.24 N ATOM 313 CA VAL A 19 5.561 -3.442 3.219 1.00 0.29 C ATOM 314 C VAL A 19 6.483 -4.083 4.272 1.00 0.23 C ATOM 315 O VAL A 19 7.647 -3.709 4.364 1.00 0.27 O ATOM 316 CB VAL A 19 5.076 -2.062 3.704 1.00 0.49 C ATOM 317 CG1 VAL A 19 6.214 -1.112 3.828 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.048 -1.490 2.755 1.00 1.77 C ATOM 0 H VAL A 19 3.709 -4.331 3.596 1.00 0.24 H new ATOM 0 HA VAL A 19 6.163 -3.340 2.316 1.00 0.29 H new ATOM 0 HB VAL A 19 4.620 -2.201 4.684 1.00 0.49 H new ATOM 0 HG11 VAL A 19 5.845 -0.146 4.172 1.00 1.09 H new ATOM 0 HG12 VAL A 19 6.936 -1.501 4.546 1.00 1.09 H new ATOM 0 HG13 VAL A 19 6.695 -0.992 2.857 1.00 1.09 H new ATOM 0 HG21 VAL A 19 3.720 -0.516 3.118 1.00 1.77 H new ATOM 0 HG22 VAL A 19 4.489 -1.379 1.765 1.00 1.77 H new ATOM 0 HG23 VAL A 19 3.192 -2.162 2.697 1.00 1.77 H new ATOM 328 N GLU A 20 5.998 -5.069 5.028 1.00 0.22 N ATOM 329 CA GLU A 20 6.761 -5.599 6.170 1.00 0.25 C ATOM 330 C GLU A 20 8.103 -6.184 5.741 1.00 0.26 C ATOM 331 O GLU A 20 9.085 -6.114 6.483 1.00 0.30 O ATOM 332 CB GLU A 20 5.951 -6.652 6.925 1.00 0.28 C ATOM 333 CG GLU A 20 5.456 -7.784 6.051 1.00 0.30 C ATOM 334 CD GLU A 20 4.695 -8.833 6.839 1.00 0.96 C ATOM 335 OE1 GLU A 20 3.546 -8.559 7.254 1.00 1.93 O ATOM 336 OE2 GLU A 20 5.242 -9.928 7.060 1.00 1.32 O ATOM 0 H GLU A 20 5.093 -5.515 4.877 1.00 0.22 H new ATOM 0 HA GLU A 20 6.960 -4.758 6.834 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.566 -7.065 7.725 1.00 0.28 H new ATOM 0 HB3 GLU A 20 5.095 -6.169 7.397 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.811 -7.381 5.270 1.00 0.30 H new ATOM 0 HG3 GLU A 20 6.305 -8.253 5.553 1.00 0.30 H new ATOM 343 N ALA A 21 8.132 -6.769 4.555 1.00 0.28 N ATOM 344 CA ALA A 21 9.370 -7.282 3.984 1.00 0.32 C ATOM 345 C ALA A 21 10.408 -6.163 3.873 1.00 0.30 C ATOM 346 O ALA A 21 11.566 -6.325 4.258 1.00 0.31 O ATOM 347 CB ALA A 21 9.099 -7.905 2.624 1.00 0.40 C ATOM 0 H ALA A 21 7.310 -6.902 3.966 1.00 0.28 H new ATOM 0 HA ALA A 21 9.770 -8.053 4.642 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.031 -8.285 2.206 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.389 -8.725 2.734 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.682 -7.152 1.955 1.00 0.40 H new ATOM 353 N ALA A 22 9.962 -5.021 3.370 1.00 0.28 N ATOM 354 CA ALA A 22 10.814 -3.849 3.208 1.00 0.29 C ATOM 355 C ALA A 22 11.116 -3.200 4.555 1.00 0.31 C ATOM 356 O ALA A 22 12.159 -2.574 4.741 1.00 0.35 O ATOM 357 CB ALA A 22 10.168 -2.853 2.264 1.00 0.30 C ATOM 0 H ALA A 22 9.000 -4.880 3.062 1.00 0.28 H new ATOM 0 HA ALA A 22 11.760 -4.173 2.775 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.816 -1.984 2.153 1.00 0.30 H new ATOM 0 HB2 ALA A 22 10.017 -3.319 1.290 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.206 -2.539 2.669 1.00 0.30 H new ATOM 363 N MET A 23 10.174 -3.293 5.478 1.00 0.30 N ATOM 364 CA MET A 23 10.361 -2.733 6.809 1.00 0.35 C ATOM 365 C MET A 23 11.442 -3.495 7.563 1.00 0.40 C ATOM 366 O MET A 23 12.262 -2.895 8.259 1.00 0.46 O ATOM 367 CB MET A 23 9.050 -2.733 7.594 1.00 0.33 C ATOM 368 CG MET A 23 7.922 -2.045 6.854 1.00 0.38 C ATOM 369 SD MET A 23 8.502 -0.690 5.813 1.00 0.72 S ATOM 370 CE MET A 23 8.865 0.555 7.022 1.00 0.53 C ATOM 0 H MET A 23 9.274 -3.749 5.333 1.00 0.30 H new ATOM 0 HA MET A 23 10.684 -1.698 6.698 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.762 -3.762 7.811 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.206 -2.237 8.552 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.399 -2.775 6.236 1.00 0.38 H new ATOM 0 HG3 MET A 23 7.200 -1.661 7.575 1.00 0.38 H new ATOM 0 HE1 MET A 23 8.852 1.537 6.549 1.00 0.53 H new ATOM 0 HE2 MET A 23 8.116 0.524 7.813 1.00 0.53 H new ATOM 0 HE3 MET A 23 9.851 0.371 7.449 1.00 0.53 H new ATOM 380 N GLY A 24 11.457 -4.813 7.399 1.00 0.40 N ATOM 381 CA GLY A 24 12.522 -5.624 7.967 1.00 0.48 C ATOM 382 C GLY A 24 13.757 -5.631 7.082 1.00 0.46 C ATOM 383 O GLY A 24 14.438 -6.649 6.947 1.00 0.57 O ATOM 0 H GLY A 24 10.750 -5.337 6.882 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.784 -5.242 8.954 1.00 0.48 H new ATOM 0 HA3 GLY A 24 12.167 -6.645 8.105 1.00 0.48 H new ATOM 387 N MET A 25 14.030 -4.483 6.475 1.00 0.44 N ATOM 388 CA MET A 25 15.146 -4.324 5.564 1.00 0.46 C ATOM 389 C MET A 25 16.466 -4.265 6.304 1.00 0.48 C ATOM 390 O MET A 25 16.569 -3.641 7.359 1.00 0.57 O ATOM 391 CB MET A 25 14.991 -3.033 4.788 1.00 0.56 C ATOM 392 CG MET A 25 15.882 -2.959 3.585 1.00 0.53 C ATOM 393 SD MET A 25 15.245 -3.911 2.213 1.00 1.04 S ATOM 394 CE MET A 25 15.260 -2.618 0.995 1.00 0.76 C ATOM 0 H MET A 25 13.478 -3.635 6.604 1.00 0.44 H new ATOM 0 HA MET A 25 15.147 -5.186 4.897 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.953 -2.929 4.471 1.00 0.56 H new ATOM 0 HB3 MET A 25 15.209 -2.192 5.446 1.00 0.56 H new ATOM 0 HG2 MET A 25 15.994 -1.918 3.282 1.00 0.53 H new ATOM 0 HG3 MET A 25 16.875 -3.323 3.848 1.00 0.53 H new ATOM 0 HE1 MET A 25 15.278 -3.058 -0.002 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.366 -2.004 1.105 1.00 0.76 H new ATOM 0 HE3 MET A 25 16.145 -1.997 1.134 1.00 0.76 H new ATOM 404 N SER A 26 17.476 -4.893 5.741 1.00 0.54 N ATOM 405 CA SER A 26 18.823 -4.728 6.236 1.00 0.65 C ATOM 406 C SER A 26 19.536 -3.620 5.479 1.00 0.79 C ATOM 407 O SER A 26 20.494 -3.852 4.745 1.00 1.68 O ATOM 408 CB SER A 26 19.595 -6.022 6.126 1.00 0.79 C ATOM 409 OG SER A 26 18.999 -7.046 6.901 1.00 1.67 O ATOM 0 H SER A 26 17.389 -5.521 4.942 1.00 0.54 H new ATOM 0 HA SER A 26 18.768 -4.450 7.288 1.00 0.65 H new ATOM 0 HB2 SER A 26 19.640 -6.333 5.082 1.00 0.79 H new ATOM 0 HB3 SER A 26 20.622 -5.864 6.456 1.00 0.79 H new ATOM 0 HG SER A 26 19.519 -7.871 6.809 1.00 1.67 H new ATOM 415 N TYR A 27 19.049 -2.410 5.667 1.00 0.54 N ATOM 416 CA TYR A 27 19.597 -1.243 4.996 1.00 0.44 C ATOM 417 C TYR A 27 20.758 -0.660 5.796 1.00 0.43 C ATOM 418 O TYR A 27 21.491 0.194 5.312 1.00 0.40 O ATOM 419 CB TYR A 27 18.498 -0.189 4.813 1.00 0.40 C ATOM 420 CG TYR A 27 17.858 0.223 6.117 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.900 -0.573 6.722 1.00 1.19 C ATOM 422 CD2 TYR A 27 18.248 1.381 6.766 1.00 1.31 C ATOM 423 CE1 TYR A 27 16.348 -0.230 7.925 1.00 1.24 C ATOM 424 CE2 TYR A 27 17.700 1.746 7.971 1.00 1.32 C ATOM 425 CZ TYR A 27 16.748 0.932 8.556 1.00 0.50 C ATOM 426 OH TYR A 27 16.193 1.280 9.766 1.00 0.61 O ATOM 0 H TYR A 27 18.265 -2.206 6.287 1.00 0.54 H new ATOM 0 HA TYR A 27 19.972 -1.544 4.018 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.922 0.690 4.328 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.731 -0.583 4.146 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.583 -1.483 6.234 1.00 1.19 H new ATOM 0 HD2 TYR A 27 19.000 2.012 6.315 1.00 1.31 H new ATOM 0 HE1 TYR A 27 15.602 -0.865 8.380 1.00 1.24 H new ATOM 0 HE2 TYR A 27 18.010 2.660 8.457 1.00 1.32 H new ATOM 0 HH TYR A 27 16.584 2.124 10.075 1.00 0.61 H new ATOM 436 N GLN A 28 20.934 -1.155 7.018 1.00 0.55 N ATOM 437 CA GLN A 28 21.945 -0.621 7.927 1.00 0.63 C ATOM 438 C GLN A 28 23.356 -0.971 7.463 1.00 0.66 C ATOM 439 O GLN A 28 24.337 -0.435 7.974 1.00 0.77 O ATOM 440 CB GLN A 28 21.720 -1.154 9.339 1.00 0.74 C ATOM 441 CG GLN A 28 21.902 -2.657 9.452 1.00 1.35 C ATOM 442 CD GLN A 28 21.722 -3.159 10.869 1.00 1.68 C ATOM 443 OE1 GLN A 28 21.982 -2.440 11.836 1.00 2.31 O ATOM 444 NE2 GLN A 28 21.293 -4.402 11.002 1.00 1.92 N ATOM 0 H GLN A 28 20.389 -1.927 7.403 1.00 0.55 H new ATOM 0 HA GLN A 28 21.847 0.465 7.928 1.00 0.63 H new ATOM 0 HB2 GLN A 28 22.412 -0.659 10.021 1.00 0.74 H new ATOM 0 HB3 GLN A 28 20.712 -0.892 9.662 1.00 0.74 H new ATOM 0 HG2 GLN A 28 21.186 -3.156 8.800 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.897 -2.927 9.098 1.00 1.35 H new ATOM 0 HE21 GLN A 28 21.089 -4.963 10.175 1.00 1.92 H new ATOM 0 HE22 GLN A 28 21.165 -4.801 11.932 1.00 1.92 H new ATOM 453 N ASP A 29 23.450 -1.876 6.495 1.00 0.68 N ATOM 454 CA ASP A 29 24.735 -2.256 5.913 1.00 0.81 C ATOM 455 C ASP A 29 25.224 -1.169 4.964 1.00 0.70 C ATOM 456 O ASP A 29 26.324 -1.247 4.417 1.00 0.86 O ATOM 457 CB ASP A 29 24.613 -3.581 5.154 1.00 0.95 C ATOM 458 CG ASP A 29 24.212 -4.739 6.048 1.00 1.66 C ATOM 459 OD1 ASP A 29 23.015 -4.854 6.381 1.00 2.31 O ATOM 460 OD2 ASP A 29 25.093 -5.548 6.410 1.00 2.34 O ATOM 0 H ASP A 29 22.648 -2.363 6.094 1.00 0.68 H new ATOM 0 HA ASP A 29 25.454 -2.378 6.723 1.00 0.81 H new ATOM 0 HB2 ASP A 29 23.877 -3.471 4.358 1.00 0.95 H new ATOM 0 HB3 ASP A 29 25.566 -3.810 4.677 1.00 0.95 H new ATOM 465 N ALA A 30 24.387 -0.161 4.776 1.00 0.55 N ATOM 466 CA ALA A 30 24.687 0.952 3.897 1.00 0.48 C ATOM 467 C ALA A 30 25.072 2.183 4.716 1.00 0.44 C ATOM 468 O ALA A 30 24.755 2.252 5.905 1.00 0.47 O ATOM 469 CB ALA A 30 23.472 1.243 3.032 1.00 0.47 C ATOM 0 H ALA A 30 23.477 -0.094 5.232 1.00 0.55 H new ATOM 0 HA ALA A 30 25.531 0.696 3.256 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.690 2.079 2.368 1.00 0.47 H new ATOM 0 HB2 ALA A 30 23.229 0.362 2.438 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.624 1.497 3.669 1.00 0.47 H new ATOM 475 N PRO A 31 25.777 3.162 4.110 1.00 0.45 N ATOM 476 CA PRO A 31 26.101 4.420 4.781 1.00 0.48 C ATOM 477 C PRO A 31 24.843 5.165 5.209 1.00 0.41 C ATOM 478 O PRO A 31 23.780 4.996 4.606 1.00 0.34 O ATOM 479 CB PRO A 31 26.877 5.232 3.740 1.00 0.57 C ATOM 480 CG PRO A 31 26.691 4.532 2.440 1.00 0.56 C ATOM 481 CD PRO A 31 26.329 3.106 2.750 1.00 0.50 C ATOM 0 HA PRO A 31 26.675 4.251 5.692 1.00 0.48 H new ATOM 0 HB2 PRO A 31 26.504 6.255 3.688 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.933 5.291 4.002 1.00 0.57 H new ATOM 0 HG2 PRO A 31 25.905 5.010 1.855 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.603 4.577 1.845 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.599 2.717 2.040 1.00 0.50 H new ATOM 0 HD3 PRO A 31 27.201 2.454 2.701 1.00 0.50 H new ATOM 489 N ASN A 32 24.975 5.997 6.229 1.00 0.45 N ATOM 490 CA ASN A 32 23.823 6.567 6.926 1.00 0.41 C ATOM 491 C ASN A 32 22.830 7.245 5.989 1.00 0.38 C ATOM 492 O ASN A 32 21.635 7.044 6.138 1.00 0.37 O ATOM 493 CB ASN A 32 24.284 7.554 7.999 1.00 0.50 C ATOM 494 CG ASN A 32 23.140 8.028 8.879 1.00 1.48 C ATOM 495 OD1 ASN A 32 22.768 7.356 9.843 1.00 2.40 O ATOM 496 ND2 ASN A 32 22.583 9.192 8.575 1.00 1.87 N ATOM 0 H ASN A 32 25.877 6.298 6.599 1.00 0.45 H new ATOM 0 HA ASN A 32 23.300 5.731 7.391 1.00 0.41 H new ATOM 0 HB2 ASN A 32 25.045 7.082 8.620 1.00 0.50 H new ATOM 0 HB3 ASN A 32 24.752 8.415 7.521 1.00 0.50 H new ATOM 0 HD21 ASN A 32 21.821 9.558 9.147 1.00 1.87 H new ATOM 0 HD22 ASN A 32 22.916 9.722 7.770 1.00 1.87 H new ATOM 503 N ASN A 33 23.300 8.019 5.018 1.00 0.42 N ATOM 504 CA ASN A 33 22.382 8.807 4.192 1.00 0.45 C ATOM 505 C ASN A 33 21.671 7.951 3.143 1.00 0.41 C ATOM 506 O ASN A 33 20.499 8.182 2.856 1.00 0.40 O ATOM 507 CB ASN A 33 23.093 9.994 3.528 1.00 0.58 C ATOM 508 CG ASN A 33 23.860 9.627 2.266 1.00 1.43 C ATOM 509 OD1 ASN A 33 25.032 9.252 2.324 1.00 2.14 O ATOM 510 ND2 ASN A 33 23.212 9.743 1.117 1.00 2.17 N ATOM 0 H ASN A 33 24.287 8.120 4.783 1.00 0.42 H new ATOM 0 HA ASN A 33 21.622 9.201 4.867 1.00 0.45 H new ATOM 0 HB2 ASN A 33 22.354 10.757 3.283 1.00 0.58 H new ATOM 0 HB3 ASN A 33 23.784 10.438 4.245 1.00 0.58 H new ATOM 0 HD21 ASN A 33 23.683 9.519 0.241 1.00 2.17 H new ATOM 0 HD22 ASN A 33 22.241 10.057 1.108 1.00 2.17 H new ATOM 517 N VAL A 34 22.357 6.968 2.570 1.00 0.42 N ATOM 518 CA VAL A 34 21.716 6.104 1.582 1.00 0.46 C ATOM 519 C VAL A 34 20.736 5.174 2.282 1.00 0.39 C ATOM 520 O VAL A 34 19.649 4.897 1.786 1.00 0.39 O ATOM 521 CB VAL A 34 22.714 5.312 0.704 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.719 6.250 0.052 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.420 4.234 1.495 1.00 0.61 C ATOM 0 H VAL A 34 23.334 6.751 2.765 1.00 0.42 H new ATOM 0 HA VAL A 34 21.180 6.752 0.888 1.00 0.46 H new ATOM 0 HB VAL A 34 22.141 4.819 -0.082 1.00 0.60 H new ATOM 0 HG11 VAL A 34 24.411 5.673 -0.561 1.00 1.39 H new ATOM 0 HG12 VAL A 34 23.192 6.969 -0.575 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.275 6.782 0.824 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.112 3.700 0.844 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.972 4.689 2.317 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.685 3.535 1.894 1.00 0.61 H new ATOM 533 N ARG A 35 21.122 4.713 3.464 1.00 0.37 N ATOM 534 CA ARG A 35 20.237 3.916 4.288 1.00 0.37 C ATOM 535 C ARG A 35 19.126 4.799 4.841 1.00 0.32 C ATOM 536 O ARG A 35 18.027 4.333 5.097 1.00 0.36 O ATOM 537 CB ARG A 35 21.000 3.165 5.382 1.00 0.42 C ATOM 538 CG ARG A 35 21.492 4.005 6.546 1.00 0.40 C ATOM 539 CD ARG A 35 22.246 3.141 7.544 1.00 0.50 C ATOM 540 NE ARG A 35 22.792 3.909 8.660 1.00 1.03 N ATOM 541 CZ ARG A 35 24.002 3.688 9.181 1.00 1.33 C ATOM 542 NH1 ARG A 35 24.807 2.786 8.632 1.00 1.61 N ATOM 543 NH2 ARG A 35 24.415 4.387 10.232 1.00 2.14 N ATOM 0 H ARG A 35 22.043 4.880 3.870 1.00 0.37 H new ATOM 0 HA ARG A 35 19.777 3.143 3.673 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.354 2.379 5.774 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.859 2.673 4.926 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.142 4.800 6.180 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.647 4.486 7.038 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.577 2.373 7.931 1.00 0.50 H new ATOM 0 HD3 ARG A 35 23.059 2.627 7.031 1.00 0.50 H new ATOM 0 HE ARG A 35 22.220 4.652 9.062 1.00 1.03 H new ATOM 0 HH11 ARG A 35 24.502 2.262 7.812 1.00 1.61 H new ATOM 0 HH12 ARG A 35 25.731 2.618 9.030 1.00 1.61 H new ATOM 0 HH21 ARG A 35 23.808 5.095 10.644 1.00 2.14 H new ATOM 0 HH22 ARG A 35 25.340 4.216 10.627 1.00 2.14 H new ATOM 557 N ARG A 36 19.446 6.067 5.075 1.00 0.29 N ATOM 558 CA ARG A 36 18.436 7.083 5.359 1.00 0.29 C ATOM 559 C ARG A 36 17.469 7.229 4.199 1.00 0.28 C ATOM 560 O ARG A 36 16.324 7.584 4.402 1.00 0.29 O ATOM 561 CB ARG A 36 19.038 8.436 5.711 1.00 0.33 C ATOM 562 CG ARG A 36 19.139 8.685 7.210 1.00 0.45 C ATOM 563 CD ARG A 36 19.076 7.383 8.001 1.00 0.75 C ATOM 564 NE ARG A 36 18.936 7.603 9.436 1.00 1.43 N ATOM 565 CZ ARG A 36 18.503 6.674 10.287 1.00 2.20 C ATOM 566 NH1 ARG A 36 18.183 5.463 9.840 1.00 2.57 N ATOM 567 NH2 ARG A 36 18.381 6.955 11.577 1.00 3.03 N ATOM 0 H ARG A 36 20.403 6.419 5.074 1.00 0.29 H new ATOM 0 HA ARG A 36 17.893 6.734 6.237 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.033 8.508 5.271 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.433 9.222 5.260 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.073 9.201 7.431 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.329 9.343 7.526 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.236 6.787 7.645 1.00 0.75 H new ATOM 0 HD3 ARG A 36 19.980 6.804 7.813 1.00 0.75 H new ATOM 0 HE ARG A 36 19.184 8.520 9.809 1.00 1.43 H new ATOM 0 HH11 ARG A 36 18.269 5.247 8.847 1.00 2.57 H new ATOM 0 HH12 ARG A 36 17.851 4.751 10.490 1.00 2.57 H new ATOM 0 HH21 ARG A 36 18.619 7.885 11.921 1.00 3.03 H new ATOM 0 HH22 ARG A 36 18.049 6.241 12.225 1.00 3.03 H new ATOM 581 N ASP A 37 17.941 7.053 2.976 1.00 0.30 N ATOM 582 CA ASP A 37 17.023 6.955 1.848 1.00 0.30 C ATOM 583 C ASP A 37 16.032 5.814 2.076 1.00 0.25 C ATOM 584 O ASP A 37 14.859 5.918 1.713 1.00 0.24 O ATOM 585 CB ASP A 37 17.760 6.779 0.526 1.00 0.37 C ATOM 586 CG ASP A 37 17.967 8.100 -0.178 1.00 0.67 C ATOM 587 OD1 ASP A 37 16.986 8.866 -0.293 1.00 1.19 O ATOM 588 OD2 ASP A 37 19.095 8.377 -0.633 1.00 1.31 O ATOM 0 H ASP A 37 18.930 6.976 2.739 1.00 0.30 H new ATOM 0 HA ASP A 37 16.474 7.894 1.782 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.726 6.308 0.708 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.194 6.107 -0.120 1.00 0.37 H new ATOM 593 N LEU A 38 16.503 4.730 2.697 1.00 0.24 N ATOM 594 CA LEU A 38 15.605 3.668 3.161 1.00 0.22 C ATOM 595 C LEU A 38 14.825 4.124 4.388 1.00 0.23 C ATOM 596 O LEU A 38 13.768 3.590 4.680 1.00 0.24 O ATOM 597 CB LEU A 38 16.337 2.362 3.496 1.00 0.29 C ATOM 598 CG LEU A 38 16.953 1.612 2.316 1.00 0.30 C ATOM 599 CD1 LEU A 38 16.029 1.616 1.119 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.283 2.204 1.950 1.00 0.47 C ATOM 0 H LEU A 38 17.491 4.564 2.889 1.00 0.24 H new ATOM 0 HA LEU A 38 14.927 3.466 2.332 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.129 2.587 4.210 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.636 1.695 3.997 1.00 0.29 H new ATOM 0 HG LEU A 38 17.102 0.577 2.623 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.497 1.074 0.297 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.089 1.133 1.384 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.835 2.644 0.813 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.706 1.656 1.108 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.152 3.250 1.674 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.959 2.136 2.803 1.00 0.47 H new ATOM 612 N ASP A 39 15.388 5.059 5.143 1.00 0.25 N ATOM 613 CA ASP A 39 14.671 5.683 6.255 1.00 0.28 C ATOM 614 C ASP A 39 13.482 6.478 5.726 1.00 0.28 C ATOM 615 O ASP A 39 12.401 6.448 6.298 1.00 0.32 O ATOM 616 CB ASP A 39 15.591 6.578 7.086 1.00 0.32 C ATOM 617 CG ASP A 39 14.864 7.263 8.226 1.00 0.71 C ATOM 618 OD1 ASP A 39 14.458 6.566 9.176 1.00 1.33 O ATOM 619 OD2 ASP A 39 14.697 8.502 8.176 1.00 1.59 O ATOM 0 H ASP A 39 16.338 5.404 5.008 1.00 0.25 H new ATOM 0 HA ASP A 39 14.308 4.892 6.911 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.408 5.979 7.489 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.038 7.333 6.439 1.00 0.32 H new ATOM 624 N ASN A 40 13.696 7.168 4.612 1.00 0.26 N ATOM 625 CA ASN A 40 12.627 7.843 3.885 1.00 0.26 C ATOM 626 C ASN A 40 11.658 6.812 3.349 1.00 0.23 C ATOM 627 O ASN A 40 10.447 6.983 3.430 1.00 0.25 O ATOM 628 CB ASN A 40 13.199 8.667 2.725 1.00 0.28 C ATOM 629 CG ASN A 40 14.036 9.847 3.187 1.00 0.68 C ATOM 630 OD1 ASN A 40 13.791 10.427 4.246 1.00 1.13 O ATOM 631 ND2 ASN A 40 15.029 10.214 2.387 1.00 1.22 N ATOM 0 H ASN A 40 14.617 7.276 4.187 1.00 0.26 H new ATOM 0 HA ASN A 40 12.109 8.518 4.566 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.810 8.021 2.095 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.378 9.031 2.107 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.623 11.003 2.641 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.198 9.707 1.518 1.00 1.22 H new ATOM 638 N LEU A 41 12.208 5.726 2.816 1.00 0.21 N ATOM 639 CA LEU A 41 11.401 4.604 2.367 1.00 0.21 C ATOM 640 C LEU A 41 10.556 4.097 3.523 1.00 0.22 C ATOM 641 O LEU A 41 9.388 3.810 3.361 1.00 0.24 O ATOM 642 CB LEU A 41 12.293 3.478 1.841 1.00 0.21 C ATOM 643 CG LEU A 41 11.550 2.298 1.212 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.909 2.713 -0.103 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.492 1.122 1.008 1.00 1.20 C ATOM 0 H LEU A 41 13.212 5.602 2.685 1.00 0.21 H new ATOM 0 HA LEU A 41 10.752 4.936 1.557 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.976 3.893 1.100 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.903 3.105 2.664 1.00 0.21 H new ATOM 0 HG LEU A 41 10.758 1.984 1.893 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.385 1.862 -0.537 1.00 0.39 H new ATOM 0 HD12 LEU A 41 10.201 3.522 0.077 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.681 3.053 -0.793 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.946 0.292 0.560 1.00 1.20 H new ATOM 0 HD22 LEU A 41 13.307 1.419 0.348 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.899 0.811 1.970 1.00 1.20 H new ATOM 657 N HIS A 42 11.156 4.030 4.699 1.00 0.27 N ATOM 658 CA HIS A 42 10.475 3.536 5.881 1.00 0.35 C ATOM 659 C HIS A 42 9.400 4.489 6.338 1.00 0.39 C ATOM 660 O HIS A 42 8.251 4.094 6.489 1.00 0.47 O ATOM 661 CB HIS A 42 11.468 3.255 7.011 1.00 0.40 C ATOM 662 CG HIS A 42 12.056 1.894 6.883 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.680 1.216 7.903 1.00 1.01 N ATOM 664 CD2 HIS A 42 12.065 1.074 5.821 1.00 0.94 C ATOM 665 CE1 HIS A 42 13.053 0.026 7.465 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.690 -0.089 6.198 1.00 1.15 N ATOM 0 H HIS A 42 12.122 4.315 4.860 1.00 0.27 H new ATOM 0 HA HIS A 42 9.993 2.597 5.611 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.263 4.001 6.994 1.00 0.40 H new ATOM 0 HB3 HIS A 42 10.964 3.348 7.973 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.655 1.290 4.846 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.568 -0.726 8.044 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.847 -0.902 5.603 1.00 1.15 H new ATOM 675 N ALA A 43 9.766 5.740 6.534 1.00 0.42 N ATOM 676 CA ALA A 43 8.820 6.738 6.982 1.00 0.49 C ATOM 677 C ALA A 43 7.660 6.847 6.007 1.00 0.48 C ATOM 678 O ALA A 43 6.510 6.803 6.413 1.00 0.51 O ATOM 679 CB ALA A 43 9.505 8.085 7.145 1.00 0.56 C ATOM 0 H ALA A 43 10.714 6.088 6.389 1.00 0.42 H new ATOM 0 HA ALA A 43 8.428 6.430 7.951 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.779 8.824 7.483 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.305 8.000 7.881 1.00 0.56 H new ATOM 0 HB3 ALA A 43 9.924 8.398 6.189 1.00 0.56 H new ATOM 685 N CYS A 44 7.971 6.967 4.722 1.00 0.44 N ATOM 686 CA CYS A 44 6.947 7.127 3.699 1.00 0.46 C ATOM 687 C CYS A 44 6.154 5.839 3.418 1.00 0.42 C ATOM 688 O CYS A 44 4.970 5.912 3.111 1.00 0.43 O ATOM 689 CB CYS A 44 7.551 7.677 2.412 1.00 0.47 C ATOM 690 SG CYS A 44 8.478 9.216 2.633 1.00 1.61 S ATOM 0 H CYS A 44 8.926 6.956 4.364 1.00 0.44 H new ATOM 0 HA CYS A 44 6.231 7.846 4.097 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.213 6.925 1.983 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.751 7.847 1.691 1.00 0.47 H new ATOM 0 HG CYS A 44 9.670 8.945 3.076 1.00 1.61 H new ATOM 696 N LEU A 45 6.797 4.667 3.494 1.00 0.39 N ATOM 697 CA LEU A 45 6.094 3.393 3.246 1.00 0.38 C ATOM 698 C LEU A 45 5.235 3.016 4.431 1.00 0.36 C ATOM 699 O LEU A 45 4.125 2.511 4.282 1.00 0.35 O ATOM 700 CB LEU A 45 7.066 2.247 2.953 1.00 0.39 C ATOM 701 CG LEU A 45 7.314 1.964 1.467 1.00 0.95 C ATOM 702 CD1 LEU A 45 6.118 1.247 0.864 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.583 3.253 0.705 1.00 1.87 C ATOM 0 H LEU A 45 7.787 4.570 3.721 1.00 0.39 H new ATOM 0 HA LEU A 45 5.467 3.549 2.368 1.00 0.38 H new ATOM 0 HB2 LEU A 45 8.021 2.472 3.428 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.684 1.339 3.420 1.00 0.39 H new ATOM 0 HG LEU A 45 8.194 1.326 1.385 1.00 0.95 H new ATOM 0 HD11 LEU A 45 6.305 1.051 -0.192 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.959 0.303 1.385 1.00 0.69 H new ATOM 0 HD13 LEU A 45 5.230 1.872 0.965 1.00 0.69 H new ATOM 0 HD21 LEU A 45 7.756 3.025 -0.347 1.00 1.87 H new ATOM 0 HD22 LEU A 45 6.722 3.916 0.796 1.00 1.87 H new ATOM 0 HD23 LEU A 45 8.464 3.743 1.119 1.00 1.87 H new ATOM 715 N ASN A 46 5.762 3.254 5.609 1.00 0.40 N ATOM 716 CA ASN A 46 5.006 3.060 6.818 1.00 0.45 C ATOM 717 C ASN A 46 3.864 4.084 6.857 1.00 0.43 C ATOM 718 O ASN A 46 2.718 3.743 7.151 1.00 0.42 O ATOM 719 CB ASN A 46 5.952 3.155 8.024 1.00 0.53 C ATOM 720 CG ASN A 46 5.223 3.356 9.342 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.152 2.790 9.568 1.00 1.25 O ATOM 722 ND2 ASN A 46 5.779 4.187 10.209 1.00 1.00 N ATOM 0 H ASN A 46 6.716 3.584 5.753 1.00 0.40 H new ATOM 0 HA ASN A 46 4.551 2.070 6.852 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.549 2.245 8.082 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.645 3.982 7.870 1.00 0.53 H new ATOM 0 HD21 ASN A 46 5.320 4.377 11.100 1.00 1.00 H new ATOM 0 HD22 ASN A 46 6.667 4.637 9.987 1.00 1.00 H new ATOM 729 N LYS A 47 4.187 5.333 6.519 1.00 0.49 N ATOM 730 CA LYS A 47 3.186 6.368 6.236 1.00 0.47 C ATOM 731 C LYS A 47 2.180 5.915 5.180 1.00 0.42 C ATOM 732 O LYS A 47 1.037 6.341 5.198 1.00 0.43 O ATOM 733 CB LYS A 47 3.878 7.627 5.719 1.00 0.53 C ATOM 734 CG LYS A 47 2.952 8.793 5.432 1.00 1.02 C ATOM 735 CD LYS A 47 3.449 9.617 4.255 1.00 1.07 C ATOM 736 CE LYS A 47 3.366 8.839 2.949 1.00 1.30 C ATOM 737 NZ LYS A 47 1.959 8.527 2.577 1.00 2.15 N ATOM 0 H LYS A 47 5.150 5.658 6.433 1.00 0.49 H new ATOM 0 HA LYS A 47 2.656 6.565 7.168 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.620 7.943 6.452 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.418 7.378 4.806 1.00 0.53 H new ATOM 0 HG2 LYS A 47 1.950 8.421 5.220 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.877 9.426 6.316 1.00 1.02 H new ATOM 0 HD2 LYS A 47 2.858 10.529 4.174 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.481 9.921 4.433 1.00 1.07 H new ATOM 0 HE2 LYS A 47 3.833 9.417 2.152 1.00 1.30 H new ATOM 0 HE3 LYS A 47 3.931 7.912 3.042 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 1.923 8.214 1.586 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 1.597 7.771 3.192 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 1.372 9.378 2.693 1.00 2.15 H new ATOM 751 N ALA A 48 2.620 5.094 4.236 1.00 0.40 N ATOM 752 CA ALA A 48 1.737 4.605 3.183 1.00 0.38 C ATOM 753 C ALA A 48 0.703 3.656 3.763 1.00 0.36 C ATOM 754 O ALA A 48 -0.455 3.655 3.352 1.00 0.36 O ATOM 755 CB ALA A 48 2.530 3.927 2.078 1.00 0.41 C ATOM 0 H ALA A 48 3.579 4.753 4.177 1.00 0.40 H new ATOM 0 HA ALA A 48 1.219 5.459 2.746 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.848 3.572 1.306 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.231 4.640 1.643 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.081 3.082 2.491 1.00 0.41 H new ATOM 761 N LYS A 49 1.118 2.878 4.754 1.00 0.37 N ATOM 762 CA LYS A 49 0.200 2.008 5.470 1.00 0.41 C ATOM 763 C LYS A 49 -0.742 2.865 6.289 1.00 0.46 C ATOM 764 O LYS A 49 -1.909 2.537 6.479 1.00 0.56 O ATOM 765 CB LYS A 49 0.962 1.063 6.400 1.00 0.41 C ATOM 766 CG LYS A 49 1.958 0.165 5.692 1.00 0.39 C ATOM 767 CD LYS A 49 2.597 -0.813 6.658 1.00 0.42 C ATOM 768 CE LYS A 49 3.604 -0.122 7.567 1.00 0.45 C ATOM 769 NZ LYS A 49 4.094 -1.016 8.649 1.00 1.03 N ATOM 0 H LYS A 49 2.084 2.833 5.079 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.357 1.408 4.750 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.490 1.655 7.148 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.245 0.441 6.935 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.455 -0.383 4.895 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.731 0.774 5.222 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.824 -1.286 7.263 1.00 0.42 H new ATOM 0 HD3 LYS A 49 3.094 -1.606 6.099 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.450 0.223 6.972 1.00 0.45 H new ATOM 0 HE3 LYS A 49 3.144 0.762 8.009 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.777 -0.502 9.242 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 3.292 -1.325 9.234 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.557 -1.847 8.229 1.00 1.03 H new ATOM 783 N LEU A 50 -0.199 3.973 6.760 1.00 0.44 N ATOM 784 CA LEU A 50 -0.936 4.940 7.547 1.00 0.51 C ATOM 785 C LEU A 50 -2.022 5.622 6.717 1.00 0.44 C ATOM 786 O LEU A 50 -3.177 5.681 7.127 1.00 0.43 O ATOM 787 CB LEU A 50 0.048 5.967 8.118 1.00 0.62 C ATOM 788 CG LEU A 50 0.956 5.424 9.222 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.749 6.549 9.863 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.138 4.675 10.266 1.00 0.75 C ATOM 0 H LEU A 50 0.776 4.228 6.604 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.440 4.426 8.365 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.669 6.347 7.307 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.516 6.813 8.511 1.00 0.62 H new ATOM 0 HG LEU A 50 1.661 4.724 8.775 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.389 6.143 10.646 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.365 7.036 9.107 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.063 7.277 10.296 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.801 4.296 11.044 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.593 5.351 10.710 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.380 3.841 9.793 1.00 0.75 H new ATOM 802 N THR A 51 -1.654 6.103 5.537 1.00 0.41 N ATOM 803 CA THR A 51 -2.591 6.792 4.662 1.00 0.40 C ATOM 804 C THR A 51 -3.682 5.862 4.162 1.00 0.35 C ATOM 805 O THR A 51 -4.845 6.246 4.077 1.00 0.34 O ATOM 806 CB THR A 51 -1.870 7.418 3.457 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.853 6.532 2.972 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.249 8.741 3.836 1.00 0.54 C ATOM 0 H THR A 51 -0.708 6.028 5.163 1.00 0.41 H new ATOM 0 HA THR A 51 -3.049 7.582 5.257 1.00 0.40 H new ATOM 0 HB THR A 51 -2.606 7.586 2.671 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.079 5.610 3.215 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.744 9.167 2.969 1.00 0.54 H new ATOM 0 HG22 THR A 51 -2.027 9.425 4.175 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.527 8.588 4.638 1.00 0.54 H new ATOM 816 N VAL A 52 -3.299 4.646 3.816 1.00 0.34 N ATOM 817 CA VAL A 52 -4.251 3.665 3.332 1.00 0.31 C ATOM 818 C VAL A 52 -5.128 3.168 4.467 1.00 0.27 C ATOM 819 O VAL A 52 -6.346 3.058 4.320 1.00 0.28 O ATOM 820 CB VAL A 52 -3.535 2.491 2.631 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.523 1.437 2.182 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.732 2.989 1.439 1.00 0.43 C ATOM 0 H VAL A 52 -2.335 4.315 3.861 1.00 0.34 H new ATOM 0 HA VAL A 52 -4.890 4.149 2.594 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.855 2.039 3.354 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -3.989 0.623 1.692 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.060 1.049 3.048 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.233 1.878 1.483 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.235 2.147 0.958 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.401 3.471 0.726 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -1.985 3.706 1.778 1.00 0.43 H new ATOM 832 N GLY A 53 -4.502 2.888 5.598 1.00 0.27 N ATOM 833 CA GLY A 53 -5.243 2.497 6.770 1.00 0.30 C ATOM 834 C GLY A 53 -6.283 3.533 7.123 1.00 0.27 C ATOM 835 O GLY A 53 -7.435 3.203 7.401 1.00 0.27 O ATOM 0 H GLY A 53 -3.490 2.926 5.722 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.727 1.536 6.595 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.560 2.362 7.608 1.00 0.30 H new ATOM 839 N ARG A 54 -5.876 4.793 7.090 1.00 0.27 N ATOM 840 CA ARG A 54 -6.774 5.889 7.393 1.00 0.27 C ATOM 841 C ARG A 54 -7.724 6.218 6.257 1.00 0.24 C ATOM 842 O ARG A 54 -8.752 6.857 6.474 1.00 0.25 O ATOM 843 CB ARG A 54 -6.000 7.106 7.841 1.00 0.38 C ATOM 844 CG ARG A 54 -5.251 6.831 9.124 1.00 0.89 C ATOM 845 CD ARG A 54 -4.479 8.037 9.584 1.00 1.02 C ATOM 846 NE ARG A 54 -5.340 9.094 10.110 1.00 1.79 N ATOM 847 CZ ARG A 54 -4.956 10.365 10.244 1.00 2.26 C ATOM 848 NH1 ARG A 54 -3.739 10.736 9.864 1.00 2.18 N ATOM 849 NH2 ARG A 54 -5.788 11.264 10.758 1.00 3.18 N ATOM 0 H ARG A 54 -4.925 5.079 6.855 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.405 5.557 8.218 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.297 7.401 7.062 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.684 7.942 7.987 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -5.955 6.531 9.900 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -4.567 5.996 8.975 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.769 7.736 10.354 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -3.897 8.430 8.750 1.00 1.02 H new ATOM 0 HE ARG A 54 -6.289 8.846 10.391 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -3.096 10.049 9.469 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -3.447 11.708 9.967 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -6.724 10.984 11.052 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -5.491 12.235 10.859 1.00 3.18 H new ATOM 863 N MET A 55 -7.392 5.800 5.046 1.00 0.23 N ATOM 864 CA MET A 55 -8.314 5.964 3.937 1.00 0.24 C ATOM 865 C MET A 55 -9.509 5.057 4.161 1.00 0.21 C ATOM 866 O MET A 55 -10.651 5.431 3.906 1.00 0.23 O ATOM 867 CB MET A 55 -7.655 5.658 2.592 1.00 0.28 C ATOM 868 CG MET A 55 -8.553 5.987 1.412 1.00 0.34 C ATOM 869 SD MET A 55 -9.004 7.732 1.363 1.00 0.68 S ATOM 870 CE MET A 55 -10.386 7.690 0.225 1.00 0.41 C ATOM 0 H MET A 55 -6.507 5.352 4.809 1.00 0.23 H new ATOM 0 HA MET A 55 -8.632 7.006 3.901 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.729 6.226 2.508 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.386 4.602 2.556 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.045 5.719 0.486 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.458 5.381 1.466 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.887 8.658 0.225 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.024 7.469 -0.779 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.089 6.917 0.535 1.00 0.41 H new ATOM 880 N VAL A 56 -9.230 3.870 4.676 1.00 0.20 N ATOM 881 CA VAL A 56 -10.277 2.961 5.096 1.00 0.22 C ATOM 882 C VAL A 56 -11.086 3.609 6.212 1.00 0.21 C ATOM 883 O VAL A 56 -12.314 3.539 6.224 1.00 0.25 O ATOM 884 CB VAL A 56 -9.692 1.623 5.588 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.795 0.684 6.051 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.856 0.976 4.495 1.00 0.26 C ATOM 0 H VAL A 56 -8.283 3.516 4.812 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.919 2.754 4.240 1.00 0.22 H new ATOM 0 HB VAL A 56 -9.046 1.826 6.442 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.355 -0.253 6.393 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -11.347 1.146 6.870 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.475 0.485 5.223 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.450 0.032 4.858 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.481 0.790 3.621 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -8.037 1.642 4.221 1.00 0.26 H new ATOM 896 N THR A 57 -10.385 4.278 7.120 1.00 0.19 N ATOM 897 CA THR A 57 -11.022 4.994 8.211 1.00 0.22 C ATOM 898 C THR A 57 -11.934 6.096 7.671 1.00 0.21 C ATOM 899 O THR A 57 -12.999 6.352 8.224 1.00 0.25 O ATOM 900 CB THR A 57 -9.980 5.609 9.150 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.937 4.659 9.399 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.612 6.020 10.468 1.00 0.33 C ATOM 0 H THR A 57 -9.367 4.337 7.119 1.00 0.19 H new ATOM 0 HA THR A 57 -11.619 4.275 8.772 1.00 0.22 H new ATOM 0 HB THR A 57 -9.568 6.497 8.671 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.304 5.031 10.048 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.851 6.454 11.117 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.394 6.757 10.283 1.00 0.33 H new ATOM 0 HG23 THR A 57 -11.046 5.145 10.952 1.00 0.33 H new ATOM 910 N SER A 58 -11.515 6.725 6.573 1.00 0.24 N ATOM 911 CA SER A 58 -12.318 7.755 5.917 1.00 0.28 C ATOM 912 C SER A 58 -13.670 7.194 5.461 1.00 0.26 C ATOM 913 O SER A 58 -14.700 7.858 5.581 1.00 0.32 O ATOM 914 CB SER A 58 -11.554 8.339 4.726 1.00 0.34 C ATOM 915 OG SER A 58 -10.276 8.814 5.122 1.00 1.20 O ATOM 0 H SER A 58 -10.621 6.538 6.119 1.00 0.24 H new ATOM 0 HA SER A 58 -12.510 8.549 6.639 1.00 0.28 H new ATOM 0 HB2 SER A 58 -11.439 7.577 3.955 1.00 0.34 H new ATOM 0 HB3 SER A 58 -12.128 9.154 4.286 1.00 0.34 H new ATOM 0 HG SER A 58 -9.732 8.063 5.441 1.00 1.20 H new ATOM 921 N LEU A 59 -13.663 5.973 4.936 1.00 0.23 N ATOM 922 CA LEU A 59 -14.903 5.292 4.567 1.00 0.23 C ATOM 923 C LEU A 59 -15.659 4.863 5.822 1.00 0.23 C ATOM 924 O LEU A 59 -16.883 4.963 5.898 1.00 0.30 O ATOM 925 CB LEU A 59 -14.623 4.068 3.680 1.00 0.29 C ATOM 926 CG LEU A 59 -14.355 4.355 2.196 1.00 0.34 C ATOM 927 CD1 LEU A 59 -15.490 5.157 1.595 1.00 1.39 C ATOM 928 CD2 LEU A 59 -13.032 5.075 2.002 1.00 1.45 C ATOM 0 H LEU A 59 -12.816 5.434 4.756 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.515 5.992 3.998 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.762 3.539 4.088 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.475 3.392 3.750 1.00 0.29 H new ATOM 0 HG LEU A 59 -14.293 3.398 1.678 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -15.282 5.350 0.543 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -16.420 4.595 1.683 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -15.587 6.104 2.126 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -12.872 5.263 0.940 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.051 6.023 2.540 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -12.221 4.456 2.387 1.00 1.45 H new ATOM 940 N LEU A 60 -14.901 4.412 6.811 1.00 0.20 N ATOM 941 CA LEU A 60 -15.446 3.936 8.079 1.00 0.23 C ATOM 942 C LEU A 60 -16.095 5.060 8.888 1.00 0.28 C ATOM 943 O LEU A 60 -16.764 4.808 9.891 1.00 0.33 O ATOM 944 CB LEU A 60 -14.320 3.301 8.896 1.00 0.24 C ATOM 945 CG LEU A 60 -13.836 1.936 8.396 1.00 0.58 C ATOM 946 CD1 LEU A 60 -12.692 1.429 9.261 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.982 0.934 8.380 1.00 0.59 C ATOM 0 H LEU A 60 -13.883 4.365 6.758 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.223 3.204 7.858 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.472 3.986 8.909 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.658 3.193 9.927 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.471 2.052 7.376 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -12.360 0.458 8.893 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -11.863 2.136 9.219 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -13.032 1.329 10.292 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.618 -0.029 8.022 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.379 0.820 9.388 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -15.770 1.293 7.718 1.00 0.59 H new ATOM 959 N GLU A 61 -15.907 6.294 8.436 1.00 0.32 N ATOM 960 CA GLU A 61 -16.396 7.457 9.157 1.00 0.42 C ATOM 961 C GLU A 61 -17.906 7.616 9.042 1.00 0.45 C ATOM 962 O GLU A 61 -18.508 8.385 9.796 1.00 0.59 O ATOM 963 CB GLU A 61 -15.702 8.720 8.654 1.00 0.56 C ATOM 964 CG GLU A 61 -14.302 8.903 9.212 1.00 0.77 C ATOM 965 CD GLU A 61 -14.288 8.969 10.722 1.00 1.74 C ATOM 966 OE1 GLU A 61 -14.721 10.001 11.280 1.00 2.46 O ATOM 967 OE2 GLU A 61 -13.846 7.994 11.363 1.00 2.36 O ATOM 0 H GLU A 61 -15.417 6.513 7.569 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.162 7.303 10.210 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.650 8.688 7.566 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -16.307 9.588 8.919 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.671 8.078 8.881 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -13.869 9.818 8.807 1.00 0.77 H new ATOM 974 N LYS A 62 -18.526 6.906 8.109 1.00 0.46 N ATOM 975 CA LYS A 62 -19.962 6.991 7.934 1.00 0.53 C ATOM 976 C LYS A 62 -20.578 5.601 7.889 1.00 0.43 C ATOM 977 O LYS A 62 -20.170 4.751 7.098 1.00 0.41 O ATOM 978 CB LYS A 62 -20.317 7.780 6.674 1.00 0.70 C ATOM 979 CG LYS A 62 -19.433 7.468 5.485 1.00 0.62 C ATOM 980 CD LYS A 62 -18.424 8.571 5.242 1.00 0.76 C ATOM 981 CE LYS A 62 -17.605 8.308 3.993 1.00 0.72 C ATOM 982 NZ LYS A 62 -16.786 9.484 3.610 1.00 0.97 N ATOM 0 H LYS A 62 -18.056 6.269 7.466 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.375 7.524 8.790 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -21.354 7.573 6.408 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -20.251 8.846 6.894 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -18.911 6.526 5.655 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -20.050 7.335 4.596 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -18.942 9.525 5.145 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -17.761 8.655 6.103 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -16.953 7.451 4.160 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -18.271 8.046 3.171 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -16.919 9.685 2.598 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -17.081 10.310 4.169 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -15.782 9.283 3.794 1.00 0.97 H new ATOM 996 N PRO A 63 -21.585 5.370 8.739 1.00 0.46 N ATOM 997 CA PRO A 63 -22.181 4.044 8.933 1.00 0.48 C ATOM 998 C PRO A 63 -22.911 3.529 7.697 1.00 0.42 C ATOM 999 O PRO A 63 -23.097 2.320 7.538 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.159 4.250 10.093 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.458 5.710 10.097 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.225 6.396 9.578 1.00 0.59 C ATOM 0 HA PRO A 63 -21.418 3.292 9.132 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.066 3.663 9.952 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -22.719 3.935 11.039 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.320 5.932 9.468 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -23.700 6.054 11.102 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.474 7.287 9.002 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.572 6.715 10.390 1.00 0.59 H new ATOM 1010 N SER A 64 -23.319 4.441 6.824 1.00 0.43 N ATOM 1011 CA SER A 64 -23.978 4.066 5.584 1.00 0.46 C ATOM 1012 C SER A 64 -22.993 3.345 4.669 1.00 0.42 C ATOM 1013 O SER A 64 -23.256 2.243 4.186 1.00 0.43 O ATOM 1014 CB SER A 64 -24.515 5.323 4.904 1.00 0.57 C ATOM 1015 OG SER A 64 -23.510 6.325 4.850 1.00 1.46 O ATOM 0 H SER A 64 -23.204 5.446 6.954 1.00 0.43 H new ATOM 0 HA SER A 64 -24.807 3.391 5.797 1.00 0.46 H new ATOM 0 HB2 SER A 64 -24.852 5.083 3.896 1.00 0.57 H new ATOM 0 HB3 SER A 64 -25.381 5.697 5.449 1.00 0.57 H new ATOM 0 HG SER A 64 -23.868 7.124 4.410 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.842 3.975 4.473 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.756 3.396 3.700 1.00 0.39 C ATOM 1023 C VAL A 65 -20.293 2.073 4.303 1.00 0.34 C ATOM 1024 O VAL A 65 -20.107 1.088 3.584 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.569 4.381 3.630 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.319 3.703 3.102 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.920 5.583 2.767 1.00 0.47 C ATOM 0 H VAL A 65 -21.637 4.902 4.846 1.00 0.40 H new ATOM 0 HA VAL A 65 -21.127 3.203 2.693 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.364 4.724 4.644 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.502 4.424 3.065 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.046 2.879 3.761 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.509 3.319 2.100 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -19.071 6.265 2.730 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.161 5.249 1.758 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.781 6.098 3.193 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.130 2.051 5.621 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.690 0.849 6.318 1.00 0.31 C ATOM 1039 C VAL A 66 -20.641 -0.315 6.053 1.00 0.32 C ATOM 1040 O VAL A 66 -20.206 -1.401 5.662 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.577 1.086 7.840 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.114 -0.176 8.551 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.627 2.234 8.131 1.00 0.34 C ATOM 0 H VAL A 66 -20.296 2.853 6.229 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.702 0.599 5.931 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.566 1.348 8.216 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.042 0.015 9.622 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -19.831 -0.978 8.373 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.137 -0.471 8.169 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.560 2.387 9.208 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.639 1.998 7.736 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -18.999 3.143 7.658 1.00 0.34 H new ATOM 1053 N ALA A 67 -21.937 -0.069 6.232 1.00 0.34 N ATOM 1054 CA ALA A 67 -22.950 -1.103 6.053 1.00 0.36 C ATOM 1055 C ALA A 67 -22.939 -1.656 4.635 1.00 0.32 C ATOM 1056 O ALA A 67 -23.111 -2.852 4.430 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.330 -0.571 6.393 1.00 0.41 C ATOM 0 H ALA A 67 -22.310 0.841 6.502 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.707 -1.917 6.737 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.069 -1.360 6.252 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.347 -0.240 7.431 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.567 0.269 5.740 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.727 -0.787 3.661 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.692 -1.203 2.266 1.00 0.27 C ATOM 1065 C TYR A 68 -21.513 -2.120 1.979 1.00 0.23 C ATOM 1066 O TYR A 68 -21.620 -3.040 1.167 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.726 0.000 1.331 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.143 0.409 1.013 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.825 1.316 1.811 1.00 1.45 C ATOM 1070 CD2 TYR A 68 -24.810 -0.145 -0.069 1.00 1.46 C ATOM 1071 CE1 TYR A 68 -26.133 1.659 1.538 1.00 1.86 C ATOM 1072 CE2 TYR A 68 -26.114 0.197 -0.352 1.00 1.88 C ATOM 1073 CZ TYR A 68 -26.774 1.096 0.455 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.078 1.434 0.179 1.00 2.35 O ATOM 0 H TYR A 68 -22.576 0.211 3.809 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.592 -1.786 2.074 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.199 0.836 1.791 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.199 -0.240 0.408 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.324 1.760 2.659 1.00 1.45 H new ATOM 0 HD2 TYR A 68 -24.299 -0.856 -0.700 1.00 1.46 H new ATOM 0 HE1 TYR A 68 -26.652 2.365 2.169 1.00 1.86 H new ATOM 0 HE2 TYR A 68 -26.616 -0.238 -1.203 1.00 1.88 H new ATOM 0 HH TYR A 68 -28.380 0.950 -0.618 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.387 -1.863 2.622 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.214 -2.715 2.475 1.00 0.19 C ATOM 1086 C LEU A 69 -19.491 -4.124 2.984 1.00 0.24 C ATOM 1087 O LEU A 69 -19.209 -5.106 2.296 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.037 -2.098 3.221 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.628 -0.727 2.709 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.750 -0.002 3.716 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.919 -0.851 1.371 1.00 0.29 C ATOM 0 H LEU A 69 -20.258 -1.071 3.252 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.968 -2.789 1.416 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.292 -2.018 4.278 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.182 -2.771 3.149 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.533 -0.135 2.570 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.474 0.976 3.321 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.297 0.126 4.650 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.849 -0.587 3.900 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.633 0.140 1.018 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -16.027 -1.467 1.488 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.588 -1.315 0.646 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.073 -4.225 4.167 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.351 -5.528 4.758 1.00 0.43 C ATOM 1105 C GLU A 70 -21.562 -6.174 4.127 1.00 0.49 C ATOM 1106 O GLU A 70 -21.628 -7.395 3.968 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.544 -5.420 6.266 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.044 -4.065 6.739 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.298 -4.024 8.235 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.312 -5.100 8.873 1.00 1.26 O ATOM 1111 OE2 GLU A 70 -21.486 -2.919 8.781 1.00 1.25 O ATOM 0 H GLU A 70 -20.361 -3.429 4.735 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.484 -6.159 4.563 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.250 -6.186 6.586 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.596 -5.636 6.758 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.312 -3.301 6.478 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -21.965 -3.818 6.211 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.510 -5.345 3.761 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.714 -5.825 3.139 1.00 0.57 C ATOM 1120 C GLY A 71 -24.879 -5.839 4.100 1.00 0.69 C ATOM 1121 O GLY A 71 -25.652 -6.798 4.142 1.00 0.92 O ATOM 0 H GLY A 71 -22.468 -4.333 3.885 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.957 -5.194 2.284 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.548 -6.832 2.756 1.00 0.57 H new ATOM 1185 N PRO B 2 15.658 -13.954 -3.149 1.00 0.76 N ATOM 1186 CA PRO B 2 15.294 -12.546 -3.296 1.00 0.64 C ATOM 1187 C PRO B 2 16.229 -11.630 -2.515 1.00 0.58 C ATOM 1188 O PRO B 2 16.467 -11.833 -1.323 1.00 0.64 O ATOM 1189 CB PRO B 2 13.878 -12.479 -2.711 1.00 0.69 C ATOM 1190 CG PRO B 2 13.785 -13.665 -1.814 1.00 0.80 C ATOM 1191 CD PRO B 2 14.615 -14.726 -2.473 1.00 0.84 C ATOM 0 HA PRO B 2 15.357 -12.214 -4.332 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.720 -11.552 -2.160 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.123 -12.516 -3.496 1.00 0.69 H new ATOM 0 HG2 PRO B 2 14.161 -13.434 -0.817 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.751 -13.990 -1.698 1.00 0.80 H new ATOM 0 HD2 PRO B 2 15.034 -15.421 -1.745 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.030 -15.317 -3.177 1.00 0.84 H new ATOM 1199 N SER B 3 16.770 -10.638 -3.194 1.00 0.51 N ATOM 1200 CA SER B 3 17.585 -9.632 -2.541 1.00 0.47 C ATOM 1201 C SER B 3 16.681 -8.527 -2.010 1.00 0.40 C ATOM 1202 O SER B 3 15.500 -8.490 -2.354 1.00 0.37 O ATOM 1203 CB SER B 3 18.600 -9.059 -3.526 1.00 0.46 C ATOM 1204 OG SER B 3 19.119 -10.082 -4.362 1.00 0.59 O ATOM 0 H SER B 3 16.660 -10.507 -4.199 1.00 0.51 H new ATOM 0 HA SER B 3 18.129 -10.084 -1.712 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.128 -8.289 -4.136 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.413 -8.580 -2.981 1.00 0.46 H new ATOM 0 HG SER B 3 19.767 -9.696 -4.988 1.00 0.59 H new ATOM 1210 N LYS B 4 17.210 -7.631 -1.190 1.00 0.41 N ATOM 1211 CA LYS B 4 16.404 -6.531 -0.664 1.00 0.41 C ATOM 1212 C LYS B 4 15.788 -5.716 -1.804 1.00 0.29 C ATOM 1213 O LYS B 4 14.691 -5.173 -1.676 1.00 0.27 O ATOM 1214 CB LYS B 4 17.243 -5.627 0.235 1.00 0.54 C ATOM 1215 CG LYS B 4 17.925 -6.363 1.381 1.00 0.84 C ATOM 1216 CD LYS B 4 18.338 -5.407 2.491 1.00 0.95 C ATOM 1217 CE LYS B 4 19.195 -4.266 1.968 1.00 0.62 C ATOM 1218 NZ LYS B 4 20.576 -4.711 1.628 1.00 1.79 N ATOM 0 H LYS B 4 18.180 -7.639 -0.876 1.00 0.41 H new ATOM 0 HA LYS B 4 15.598 -6.960 -0.069 1.00 0.41 H new ATOM 0 HB2 LYS B 4 18.003 -5.132 -0.370 1.00 0.54 H new ATOM 0 HB3 LYS B 4 16.604 -4.845 0.646 1.00 0.54 H new ATOM 0 HG2 LYS B 4 17.250 -7.118 1.783 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.804 -6.888 1.006 1.00 0.84 H new ATOM 0 HD2 LYS B 4 17.447 -5.001 2.971 1.00 0.95 H new ATOM 0 HD3 LYS B 4 18.890 -5.955 3.255 1.00 0.95 H new ATOM 0 HE2 LYS B 4 18.725 -3.837 1.083 1.00 0.62 H new ATOM 0 HE3 LYS B 4 19.244 -3.477 2.718 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 20.803 -4.426 0.654 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 21.253 -4.272 2.284 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 20.637 -5.746 1.708 1.00 1.79 H new ATOM 1232 N LEU B 5 16.498 -5.651 -2.928 1.00 0.26 N ATOM 1233 CA LEU B 5 16.004 -4.955 -4.108 1.00 0.21 C ATOM 1234 C LEU B 5 14.843 -5.703 -4.745 1.00 0.18 C ATOM 1235 O LEU B 5 13.898 -5.089 -5.233 1.00 0.17 O ATOM 1236 CB LEU B 5 17.140 -4.719 -5.107 1.00 0.22 C ATOM 1237 CG LEU B 5 16.728 -4.262 -6.502 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.677 -3.189 -7.005 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.725 -5.440 -7.462 1.00 0.32 C ATOM 0 H LEU B 5 17.419 -6.074 -3.044 1.00 0.26 H new ATOM 0 HA LEU B 5 15.625 -3.982 -3.796 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.815 -3.973 -4.688 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.708 -5.644 -5.204 1.00 0.22 H new ATOM 0 HG LEU B 5 15.721 -3.847 -6.448 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.372 -2.871 -8.002 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.652 -2.335 -6.328 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.690 -3.589 -7.046 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.429 -5.100 -8.454 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.724 -5.873 -7.510 1.00 0.32 H new ATOM 0 HD23 LEU B 5 16.020 -6.193 -7.111 1.00 0.32 H new ATOM 1251 N ALA B 6 14.911 -7.025 -4.747 1.00 0.22 N ATOM 1252 CA ALA B 6 13.782 -7.828 -5.183 1.00 0.26 C ATOM 1253 C ALA B 6 12.532 -7.430 -4.406 1.00 0.24 C ATOM 1254 O ALA B 6 11.443 -7.367 -4.972 1.00 0.27 O ATOM 1255 CB ALA B 6 14.073 -9.311 -5.010 1.00 0.35 C ATOM 0 H ALA B 6 15.729 -7.560 -4.454 1.00 0.22 H new ATOM 0 HA ALA B 6 13.611 -7.643 -6.244 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.213 -9.892 -5.343 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.946 -9.582 -5.604 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.269 -9.523 -3.959 1.00 0.35 H new ATOM 1261 N LEU B 7 12.716 -7.118 -3.123 1.00 0.22 N ATOM 1262 CA LEU B 7 11.615 -6.683 -2.269 1.00 0.22 C ATOM 1263 C LEU B 7 11.132 -5.283 -2.647 1.00 0.18 C ATOM 1264 O LEU B 7 9.948 -5.086 -2.905 1.00 0.19 O ATOM 1265 CB LEU B 7 12.042 -6.676 -0.795 1.00 0.24 C ATOM 1266 CG LEU B 7 11.993 -8.020 -0.059 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.900 -9.050 -0.712 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.384 -7.822 1.396 1.00 0.32 C ATOM 0 H LEU B 7 13.620 -7.159 -2.653 1.00 0.22 H new ATOM 0 HA LEU B 7 10.800 -7.391 -2.415 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.061 -6.293 -0.737 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.406 -5.971 -0.260 1.00 0.24 H new ATOM 0 HG LEU B 7 10.973 -8.399 -0.114 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.839 -9.989 -0.163 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.584 -9.211 -1.743 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.928 -8.689 -0.700 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.348 -8.779 1.916 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.395 -7.418 1.449 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.690 -7.127 1.868 1.00 0.32 H new ATOM 1280 N ILE B 8 12.052 -4.314 -2.693 1.00 0.16 N ATOM 1281 CA ILE B 8 11.682 -2.931 -3.015 1.00 0.15 C ATOM 1282 C ILE B 8 11.023 -2.820 -4.392 1.00 0.16 C ATOM 1283 O ILE B 8 10.107 -2.024 -4.578 1.00 0.18 O ATOM 1284 CB ILE B 8 12.878 -1.938 -2.892 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.120 -2.442 -3.617 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.190 -1.647 -1.436 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.241 -1.919 -5.032 1.00 0.23 C ATOM 0 H ILE B 8 13.046 -4.458 -2.514 1.00 0.16 H new ATOM 0 HA ILE B 8 10.947 -2.640 -2.264 1.00 0.15 H new ATOM 0 HB ILE B 8 12.575 -1.010 -3.377 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.005 -2.150 -3.052 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.102 -3.532 -3.640 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.028 -0.952 -1.375 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.316 -1.205 -0.958 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.451 -2.575 -0.927 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.147 -2.316 -5.491 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.373 -2.233 -5.612 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.291 -0.830 -5.014 1.00 0.23 H new ATOM 1299 N GLN B 9 11.464 -3.632 -5.348 1.00 0.16 N ATOM 1300 CA GLN B 9 10.889 -3.597 -6.691 1.00 0.20 C ATOM 1301 C GLN B 9 9.505 -4.247 -6.728 1.00 0.22 C ATOM 1302 O GLN B 9 8.623 -3.789 -7.451 1.00 0.25 O ATOM 1303 CB GLN B 9 11.809 -4.278 -7.708 1.00 0.22 C ATOM 1304 CG GLN B 9 13.143 -3.574 -7.893 1.00 0.27 C ATOM 1305 CD GLN B 9 13.936 -4.122 -9.062 1.00 0.99 C ATOM 1306 OE1 GLN B 9 13.822 -5.302 -9.404 1.00 1.94 O ATOM 1307 NE2 GLN B 9 14.742 -3.274 -9.686 1.00 1.38 N ATOM 0 H GLN B 9 12.210 -4.316 -5.221 1.00 0.16 H new ATOM 0 HA GLN B 9 10.784 -2.546 -6.962 1.00 0.20 H new ATOM 0 HB2 GLN B 9 11.991 -5.304 -7.390 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.298 -4.328 -8.670 1.00 0.22 H new ATOM 0 HG2 GLN B 9 12.969 -2.509 -8.045 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.732 -3.674 -6.981 1.00 0.27 H new ATOM 0 HE21 GLN B 9 14.807 -2.306 -9.371 1.00 1.38 H new ATOM 0 HE22 GLN B 9 15.297 -3.590 -10.481 1.00 1.38 H new ATOM 1316 N GLU B 10 9.326 -5.317 -5.960 1.00 0.23 N ATOM 1317 CA GLU B 10 8.057 -6.043 -5.934 1.00 0.27 C ATOM 1318 C GLU B 10 7.007 -5.353 -5.069 1.00 0.25 C ATOM 1319 O GLU B 10 5.829 -5.693 -5.152 1.00 0.28 O ATOM 1320 CB GLU B 10 8.235 -7.497 -5.492 1.00 0.31 C ATOM 1321 CG GLU B 10 8.566 -7.674 -4.022 1.00 0.31 C ATOM 1322 CD GLU B 10 8.500 -9.122 -3.596 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.538 -9.814 -3.990 1.00 1.09 O ATOM 1324 OE2 GLU B 10 9.391 -9.569 -2.844 1.00 1.23 O ATOM 0 H GLU B 10 10.043 -5.702 -5.346 1.00 0.23 H new ATOM 0 HA GLU B 10 7.694 -6.041 -6.962 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.319 -8.045 -5.713 1.00 0.31 H new ATOM 0 HB3 GLU B 10 9.029 -7.949 -6.087 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.565 -7.284 -3.826 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.871 -7.087 -3.421 1.00 0.31 H new ATOM 1331 N LEU B 11 7.437 -4.449 -4.190 1.00 0.22 N ATOM 1332 CA LEU B 11 6.505 -3.689 -3.345 1.00 0.21 C ATOM 1333 C LEU B 11 5.284 -3.191 -4.142 1.00 0.22 C ATOM 1334 O LEU B 11 4.155 -3.358 -3.687 1.00 0.21 O ATOM 1335 CB LEU B 11 7.201 -2.509 -2.659 1.00 0.21 C ATOM 1336 CG LEU B 11 8.305 -2.883 -1.671 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.877 -1.637 -1.021 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.780 -3.841 -0.613 1.00 0.19 C ATOM 0 H LEU B 11 8.420 -4.222 -4.041 1.00 0.22 H new ATOM 0 HA LEU B 11 6.152 -4.376 -2.576 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.628 -1.864 -3.427 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.449 -1.922 -2.132 1.00 0.21 H new ATOM 0 HG LEU B 11 9.101 -3.385 -2.221 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.662 -1.920 -0.320 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.294 -0.985 -1.789 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.087 -1.110 -0.487 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.583 -4.094 0.080 1.00 0.19 H new ATOM 0 HD22 LEU B 11 6.965 -3.368 -0.066 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.416 -4.749 -1.093 1.00 0.19 H new ATOM 1350 N PRO B 12 5.478 -2.562 -5.330 1.00 0.23 N ATOM 1351 CA PRO B 12 4.366 -2.199 -6.220 1.00 0.26 C ATOM 1352 C PRO B 12 3.414 -3.363 -6.514 1.00 0.27 C ATOM 1353 O PRO B 12 2.196 -3.183 -6.537 1.00 0.29 O ATOM 1354 CB PRO B 12 5.067 -1.753 -7.501 1.00 0.32 C ATOM 1355 CG PRO B 12 6.379 -1.234 -7.039 1.00 0.29 C ATOM 1356 CD PRO B 12 6.770 -2.087 -5.867 1.00 0.24 C ATOM 0 HA PRO B 12 3.732 -1.437 -5.766 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.190 -2.583 -8.197 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.495 -0.984 -8.020 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.124 -1.295 -7.832 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.305 -0.185 -6.751 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.406 -2.918 -6.172 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.326 -1.515 -5.124 1.00 0.24 H new ATOM 1364 N ASP B 13 3.965 -4.557 -6.718 1.00 0.27 N ATOM 1365 CA ASP B 13 3.149 -5.741 -6.994 1.00 0.29 C ATOM 1366 C ASP B 13 2.408 -6.179 -5.735 1.00 0.26 C ATOM 1367 O ASP B 13 1.215 -6.482 -5.773 1.00 0.25 O ATOM 1368 CB ASP B 13 4.014 -6.897 -7.511 1.00 0.35 C ATOM 1369 CG ASP B 13 3.222 -8.182 -7.673 1.00 1.17 C ATOM 1370 OD1 ASP B 13 2.425 -8.276 -8.630 1.00 1.70 O ATOM 1371 OD2 ASP B 13 3.393 -9.104 -6.843 1.00 2.01 O ATOM 0 H ASP B 13 4.970 -4.732 -6.698 1.00 0.27 H new ATOM 0 HA ASP B 13 2.425 -5.476 -7.765 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.452 -6.619 -8.470 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.840 -7.067 -6.820 1.00 0.35 H new ATOM 1376 N ARG B 14 3.130 -6.210 -4.622 1.00 0.27 N ATOM 1377 CA ARG B 14 2.530 -6.515 -3.324 1.00 0.27 C ATOM 1378 C ARG B 14 1.380 -5.577 -3.024 1.00 0.24 C ATOM 1379 O ARG B 14 0.341 -6.000 -2.541 1.00 0.25 O ATOM 1380 CB ARG B 14 3.548 -6.397 -2.198 1.00 0.31 C ATOM 1381 CG ARG B 14 4.581 -7.496 -2.179 1.00 0.42 C ATOM 1382 CD ARG B 14 5.593 -7.251 -1.072 1.00 0.37 C ATOM 1383 NE ARG B 14 6.738 -8.152 -1.169 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.989 -9.140 -0.313 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.195 -9.329 0.736 1.00 1.20 N ATOM 1386 NH2 ARG B 14 8.035 -9.934 -0.507 1.00 1.04 N ATOM 0 H ARG B 14 4.133 -6.028 -4.589 1.00 0.27 H new ATOM 0 HA ARG B 14 2.168 -7.542 -3.381 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.057 -5.437 -2.283 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.020 -6.394 -1.245 1.00 0.31 H new ATOM 0 HG2 ARG B 14 4.094 -8.459 -2.029 1.00 0.42 H new ATOM 0 HG3 ARG B 14 5.090 -7.543 -3.142 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.939 -6.218 -1.119 1.00 0.37 H new ATOM 0 HD3 ARG B 14 5.110 -7.381 -0.104 1.00 0.37 H new ATOM 0 HE ARG B 14 7.388 -8.015 -1.943 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.393 -8.717 0.885 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.388 -10.086 1.392 1.00 1.20 H new ATOM 0 HH21 ARG B 14 8.645 -9.787 -1.311 1.00 1.04 H new ATOM 0 HH22 ARG B 14 8.229 -10.692 0.148 1.00 1.04 H new ATOM 1400 N ILE B 15 1.577 -4.302 -3.312 1.00 0.22 N ATOM 1401 CA ILE B 15 0.578 -3.296 -3.017 1.00 0.22 C ATOM 1402 C ILE B 15 -0.572 -3.362 -4.018 1.00 0.21 C ATOM 1403 O ILE B 15 -1.720 -3.086 -3.676 1.00 0.21 O ATOM 1404 CB ILE B 15 1.217 -1.888 -2.962 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.780 -1.172 -1.686 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.885 -1.058 -4.195 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.655 -0.685 -1.711 1.00 0.29 C ATOM 0 H ILE B 15 2.424 -3.941 -3.751 1.00 0.22 H new ATOM 0 HA ILE B 15 0.160 -3.502 -2.031 1.00 0.22 H new ATOM 0 HB ILE B 15 2.300 -2.011 -2.951 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.908 -1.848 -0.841 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.439 -0.320 -1.516 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.355 -0.078 -4.111 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.257 -1.564 -5.086 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.196 -0.937 -4.272 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.887 -0.188 -0.769 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.787 0.017 -2.534 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.325 -1.534 -1.848 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.263 -3.751 -5.248 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.296 -4.039 -6.228 1.00 0.24 C ATOM 1421 C GLN B 16 -2.174 -5.167 -5.699 1.00 0.23 C ATOM 1422 O GLN B 16 -3.395 -5.131 -5.805 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.665 -4.444 -7.561 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.672 -4.792 -8.642 1.00 0.92 C ATOM 1425 CD GLN B 16 -1.008 -5.324 -9.896 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -0.659 -4.565 -10.802 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -0.818 -6.630 -9.953 1.00 1.82 N ATOM 0 H GLN B 16 0.691 -3.873 -5.588 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.901 -3.148 -6.394 1.00 0.24 H new ATOM 0 HB2 GLN B 16 -0.035 -3.628 -7.915 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -0.013 -5.302 -7.397 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -2.370 -5.537 -8.259 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.256 -3.906 -8.891 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -1.122 -7.224 -9.181 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -0.367 -7.045 -10.769 1.00 1.82 H new ATOM 1436 N THR B 17 -1.522 -6.141 -5.085 1.00 0.24 N ATOM 1437 CA THR B 17 -2.194 -7.284 -4.487 1.00 0.26 C ATOM 1438 C THR B 17 -2.883 -6.895 -3.180 1.00 0.24 C ATOM 1439 O THR B 17 -3.876 -7.502 -2.775 1.00 0.34 O ATOM 1440 CB THR B 17 -1.173 -8.410 -4.224 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.437 -8.694 -5.423 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.838 -9.681 -3.730 1.00 0.43 C ATOM 0 H THR B 17 -0.507 -6.161 -4.987 1.00 0.24 H new ATOM 0 HA THR B 17 -2.956 -7.635 -5.183 1.00 0.26 H new ATOM 0 HB THR B 17 -0.499 -8.059 -3.443 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.184 -7.959 -5.607 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.080 -10.445 -3.559 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.365 -9.477 -2.798 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.547 -10.035 -4.478 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.368 -5.862 -2.540 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.930 -5.380 -1.300 1.00 0.21 C ATOM 1452 C ALA B 18 -4.300 -4.804 -1.569 1.00 0.19 C ATOM 1453 O ALA B 18 -5.216 -4.944 -0.767 1.00 0.25 O ATOM 1454 CB ALA B 18 -2.025 -4.331 -0.670 1.00 0.26 C ATOM 0 H ALA B 18 -1.555 -5.339 -2.865 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.016 -6.210 -0.599 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.467 -3.982 0.263 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.048 -4.769 -0.467 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.911 -3.490 -1.355 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.436 -4.186 -2.729 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.639 -3.447 -3.042 1.00 0.24 C ATOM 1462 C VAL B 19 -6.527 -4.111 -4.094 1.00 0.25 C ATOM 1463 O VAL B 19 -7.690 -3.746 -4.214 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.286 -2.033 -3.522 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -4.306 -1.373 -2.567 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.716 -2.079 -4.926 1.00 1.78 C ATOM 0 H VAL B 19 -3.730 -4.183 -3.465 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.208 -3.419 -2.113 1.00 0.24 H new ATOM 0 HB VAL B 19 -6.198 -1.436 -3.540 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -4.068 -0.371 -2.925 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.753 -1.307 -1.575 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -3.393 -1.966 -2.515 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -4.471 -1.068 -5.252 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -3.814 -2.692 -4.933 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -5.453 -2.510 -5.604 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.997 -5.072 -4.847 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.726 -5.652 -5.980 1.00 0.31 C ATOM 1478 C GLU B 20 -8.114 -6.146 -5.574 1.00 0.31 C ATOM 1479 O GLU B 20 -9.078 -6.026 -6.333 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.925 -6.789 -6.615 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.486 -7.865 -5.637 1.00 0.42 C ATOM 1482 CD GLU B 20 -4.956 -9.095 -6.339 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -3.934 -8.985 -7.045 1.00 1.66 O ATOM 1484 OE2 GLU B 20 -5.565 -10.175 -6.202 1.00 1.61 O ATOM 0 H GLU B 20 -5.069 -5.467 -4.697 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.859 -4.859 -6.716 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.528 -7.250 -7.398 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.042 -6.370 -7.098 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.715 -7.463 -4.980 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -6.329 -8.145 -5.005 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.199 -6.705 -4.376 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.475 -7.116 -3.810 1.00 0.33 C ATOM 1493 C ALA B 21 -10.448 -5.937 -3.746 1.00 0.27 C ATOM 1494 O ALA B 21 -11.568 -6.016 -4.247 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.264 -7.709 -2.426 1.00 0.38 C ATOM 0 H ALA B 21 -7.395 -6.885 -3.775 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.911 -7.877 -4.457 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.224 -8.014 -2.010 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.608 -8.577 -2.498 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.808 -6.962 -1.776 1.00 0.38 H new ATOM 1501 N ALA B 22 -9.994 -4.838 -3.161 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.823 -3.653 -2.972 1.00 0.27 C ATOM 1503 C ALA B 22 -11.048 -2.898 -4.281 1.00 0.27 C ATOM 1504 O ALA B 22 -12.063 -2.221 -4.450 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.206 -2.738 -1.934 1.00 0.33 C ATOM 0 H ALA B 22 -9.043 -4.741 -2.804 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.797 -3.989 -2.618 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -10.836 -1.858 -1.804 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.123 -3.268 -0.985 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.215 -2.429 -2.265 1.00 0.33 H new ATOM 1511 N MET B 23 -10.083 -2.961 -5.184 1.00 0.28 N ATOM 1512 CA MET B 23 -10.228 -2.306 -6.476 1.00 0.32 C ATOM 1513 C MET B 23 -11.243 -3.060 -7.321 1.00 0.33 C ATOM 1514 O MET B 23 -11.974 -2.462 -8.109 1.00 0.37 O ATOM 1515 CB MET B 23 -8.895 -2.201 -7.213 1.00 0.35 C ATOM 1516 CG MET B 23 -7.779 -1.598 -6.376 1.00 0.41 C ATOM 1517 SD MET B 23 -8.305 -0.186 -5.380 1.00 0.76 S ATOM 1518 CE MET B 23 -8.759 0.975 -6.654 1.00 0.77 C ATOM 0 H MET B 23 -9.200 -3.453 -5.050 1.00 0.28 H new ATOM 0 HA MET B 23 -10.582 -1.290 -6.301 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.593 -3.195 -7.543 1.00 0.35 H new ATOM 0 HB3 MET B 23 -9.032 -1.596 -8.109 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.375 -2.366 -5.717 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.970 -1.285 -7.036 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.659 1.991 -6.273 1.00 0.77 H new ATOM 0 HE2 MET B 23 -8.104 0.845 -7.515 1.00 0.77 H new ATOM 0 HE3 MET B 23 -9.792 0.800 -6.954 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.292 -4.374 -7.140 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.350 -5.168 -7.732 1.00 0.39 C ATOM 1530 C GLY B 24 -13.600 -5.149 -6.872 1.00 0.43 C ATOM 1531 O GLY B 24 -14.230 -6.184 -6.637 1.00 0.63 O ATOM 0 H GLY B 24 -10.615 -4.905 -6.592 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.583 -4.784 -8.725 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -12.009 -6.195 -7.859 1.00 0.39 H new ATOM 1535 N MET B 25 -13.947 -3.961 -6.399 1.00 0.42 N ATOM 1536 CA MET B 25 -15.078 -3.780 -5.507 1.00 0.46 C ATOM 1537 C MET B 25 -16.384 -3.723 -6.276 1.00 0.44 C ATOM 1538 O MET B 25 -16.471 -3.091 -7.327 1.00 0.48 O ATOM 1539 CB MET B 25 -14.935 -2.491 -4.716 1.00 0.59 C ATOM 1540 CG MET B 25 -16.046 -2.307 -3.709 1.00 0.60 C ATOM 1541 SD MET B 25 -15.967 -3.494 -2.373 1.00 0.99 S ATOM 1542 CE MET B 25 -14.977 -2.573 -1.208 1.00 0.45 C ATOM 0 H MET B 25 -13.452 -3.098 -6.624 1.00 0.42 H new ATOM 0 HA MET B 25 -15.092 -4.636 -4.832 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.976 -2.490 -4.199 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.928 -1.645 -5.403 1.00 0.59 H new ATOM 0 HG2 MET B 25 -15.995 -1.299 -3.298 1.00 0.60 H new ATOM 0 HG3 MET B 25 -17.008 -2.397 -4.214 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.116 -2.984 -0.208 1.00 0.45 H new ATOM 0 HE2 MET B 25 -13.926 -2.645 -1.487 1.00 0.45 H new ATOM 0 HE3 MET B 25 -15.284 -1.527 -1.217 1.00 0.45 H new ATOM 1552 N SER B 26 -17.396 -4.369 -5.740 1.00 0.51 N ATOM 1553 CA SER B 26 -18.731 -4.242 -6.272 1.00 0.60 C ATOM 1554 C SER B 26 -19.476 -3.157 -5.510 1.00 0.83 C ATOM 1555 O SER B 26 -20.460 -3.405 -4.811 1.00 1.79 O ATOM 1556 CB SER B 26 -19.451 -5.576 -6.190 1.00 0.63 C ATOM 1557 OG SER B 26 -20.565 -5.623 -7.066 1.00 1.43 O ATOM 0 H SER B 26 -17.317 -4.989 -4.934 1.00 0.51 H new ATOM 0 HA SER B 26 -18.687 -3.954 -7.322 1.00 0.60 H new ATOM 0 HB2 SER B 26 -18.758 -6.380 -6.438 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.785 -5.748 -5.167 1.00 0.63 H new ATOM 0 HG SER B 26 -21.285 -5.061 -6.710 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.970 -1.944 -5.640 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.538 -0.788 -4.971 1.00 0.47 C ATOM 1565 C TYR B 27 -20.716 -0.244 -5.770 1.00 0.48 C ATOM 1566 O TYR B 27 -21.465 0.597 -5.288 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.460 0.292 -4.799 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.818 0.702 -6.104 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.827 -0.077 -6.684 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -18.233 1.839 -6.780 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -16.273 0.261 -7.892 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -17.681 2.196 -7.987 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.700 1.402 -8.547 1.00 0.54 C ATOM 1574 OH TYR B 27 -16.148 1.747 -9.759 1.00 0.68 O ATOM 0 H TYR B 27 -18.153 -1.733 -6.213 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.899 -1.085 -3.986 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.905 1.169 -4.328 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.689 -0.077 -4.122 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.486 -0.966 -6.175 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -19.006 2.457 -6.349 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -15.507 -0.361 -8.330 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -18.012 3.091 -8.493 1.00 1.39 H new ATOM 0 HH TYR B 27 -16.561 2.575 -10.083 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.884 -0.750 -6.988 1.00 0.53 N ATOM 1585 CA GLN B 28 -21.950 -0.292 -7.877 1.00 0.62 C ATOM 1586 C GLN B 28 -23.329 -0.636 -7.314 1.00 0.70 C ATOM 1587 O GLN B 28 -24.326 -0.019 -7.684 1.00 0.86 O ATOM 1588 CB GLN B 28 -21.781 -0.901 -9.271 1.00 0.72 C ATOM 1589 CG GLN B 28 -21.824 -2.422 -9.283 1.00 1.34 C ATOM 1590 CD GLN B 28 -21.738 -2.999 -10.681 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -22.182 -2.382 -11.650 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -21.173 -4.190 -10.793 1.00 2.12 N ATOM 0 H GLN B 28 -20.293 -1.481 -7.385 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.878 0.793 -7.953 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.567 -0.519 -9.922 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -20.831 -0.570 -9.690 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -21.000 -2.809 -8.683 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -22.747 -2.759 -8.812 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -20.818 -4.666 -9.964 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -21.092 -4.632 -11.709 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.371 -1.619 -6.415 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.615 -2.017 -5.752 1.00 0.84 C ATOM 1603 C ASP B 29 -25.039 -0.955 -4.743 1.00 0.69 C ATOM 1604 O ASP B 29 -26.159 -0.969 -4.230 1.00 0.84 O ATOM 1605 CB ASP B 29 -24.436 -3.361 -5.035 1.00 1.06 C ATOM 1606 CG ASP B 29 -24.079 -4.487 -5.979 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -24.997 -5.128 -6.525 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -22.872 -4.744 -6.178 1.00 2.56 O ATOM 0 H ASP B 29 -22.554 -2.157 -6.127 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.389 -2.120 -6.513 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -23.655 -3.264 -4.281 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -25.357 -3.612 -4.509 1.00 1.06 H new ATOM 1613 N ALA B 30 -24.123 -0.039 -4.467 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.361 1.046 -3.535 1.00 0.53 C ATOM 1615 C ALA B 30 -24.796 2.292 -4.302 1.00 0.54 C ATOM 1616 O ALA B 30 -24.439 2.448 -5.471 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.090 1.314 -2.737 1.00 0.46 C ATOM 0 H ALA B 30 -23.193 -0.030 -4.885 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.156 0.774 -2.841 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.266 2.129 -2.035 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.810 0.416 -2.187 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.284 1.589 -3.418 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.587 3.185 -3.672 1.00 0.53 N ATOM 1624 CA PRO B 31 -26.023 4.426 -4.308 1.00 0.63 C ATOM 1625 C PRO B 31 -24.834 5.247 -4.792 1.00 0.53 C ATOM 1626 O PRO B 31 -23.768 5.224 -4.172 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.793 5.177 -3.219 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.531 4.449 -1.944 1.00 0.62 C ATOM 1629 CD PRO B 31 -26.112 3.052 -2.310 1.00 0.51 C ATOM 0 HA PRO B 31 -26.635 4.235 -5.189 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -26.460 6.213 -3.151 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.860 5.199 -3.442 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -25.750 4.947 -1.370 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.424 4.432 -1.320 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.354 2.670 -1.626 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.953 2.360 -2.272 1.00 0.51 H new ATOM 1637 N ASN B 32 -25.029 5.964 -5.890 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.937 6.614 -6.617 1.00 0.62 C ATOM 1639 C ASN B 32 -22.997 7.404 -5.711 1.00 0.59 C ATOM 1640 O ASN B 32 -21.789 7.321 -5.878 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.486 7.525 -7.715 1.00 0.73 C ATOM 1642 CG ASN B 32 -23.388 8.074 -8.613 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -22.960 7.410 -9.562 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -22.937 9.290 -8.340 1.00 2.04 N ATOM 0 H ASN B 32 -25.948 6.114 -6.306 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.351 5.811 -7.063 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -25.203 6.970 -8.320 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -25.028 8.354 -7.259 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -22.212 9.708 -8.923 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -23.315 9.808 -7.547 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.527 8.142 -4.745 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.673 9.006 -3.930 1.00 0.61 C ATOM 1653 C ASN B 33 -21.877 8.219 -2.884 1.00 0.53 C ATOM 1654 O ASN B 33 -20.723 8.544 -2.613 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.468 10.125 -3.254 1.00 0.72 C ATOM 1656 CG ASN B 33 -24.390 9.636 -2.149 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -24.985 8.560 -2.243 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -24.501 10.414 -1.084 1.00 2.16 N ATOM 0 H ASN B 33 -24.519 8.164 -4.507 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.962 9.460 -4.621 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -22.772 10.854 -2.839 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -24.061 10.644 -4.007 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -25.095 10.130 -0.305 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -23.993 11.298 -1.043 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.470 7.182 -2.302 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.748 6.375 -1.318 1.00 0.50 C ATOM 1667 C VAL B 34 -20.738 5.490 -2.028 1.00 0.43 C ATOM 1668 O VAL B 34 -19.636 5.258 -1.537 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.669 5.536 -0.401 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.778 6.401 0.167 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.237 4.331 -1.121 1.00 0.59 C ATOM 0 H VAL B 34 -23.427 6.883 -2.487 1.00 0.50 H new ATOM 0 HA VAL B 34 -21.234 7.070 -0.654 1.00 0.50 H new ATOM 0 HB VAL B 34 -22.062 5.160 0.423 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -24.418 5.797 0.810 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -23.344 7.214 0.748 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -24.371 6.815 -0.649 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.878 3.770 -0.441 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.821 4.662 -1.980 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.422 3.693 -1.461 1.00 0.59 H new ATOM 1681 N ARG B 35 -21.114 5.012 -3.203 1.00 0.43 N ATOM 1682 CA ARG B 35 -20.198 4.260 -4.031 1.00 0.44 C ATOM 1683 C ARG B 35 -19.133 5.201 -4.580 1.00 0.39 C ATOM 1684 O ARG B 35 -18.033 4.780 -4.896 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.928 3.493 -5.135 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.382 4.325 -6.319 1.00 0.52 C ATOM 1687 CD ARG B 35 -22.086 3.463 -7.356 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.592 4.249 -8.481 1.00 1.08 N ATOM 1689 CZ ARG B 35 -23.545 3.829 -9.316 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.130 2.653 -9.130 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -23.930 4.602 -10.324 1.00 2.15 N ATOM 0 H ARG B 35 -22.046 5.133 -3.600 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.707 3.500 -3.423 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.271 2.703 -5.499 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.801 3.007 -4.699 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.055 5.112 -5.978 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.522 4.816 -6.773 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.394 2.707 -7.726 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.914 2.934 -6.884 1.00 0.59 H new ATOM 0 HE ARG B 35 -22.192 5.174 -8.637 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -23.852 2.064 -8.345 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -24.858 2.338 -9.772 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -23.498 5.516 -10.460 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -24.658 4.282 -10.963 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.494 6.473 -4.744 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.518 7.527 -5.019 1.00 0.36 C ATOM 1707 C ARG B 36 -17.535 7.689 -3.872 1.00 0.34 C ATOM 1708 O ARG B 36 -16.411 8.126 -4.074 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.180 8.864 -5.328 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.389 9.109 -6.813 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.351 7.811 -7.607 1.00 0.75 C ATOM 1712 NE ARG B 36 -19.529 8.017 -9.041 1.00 1.40 N ATOM 1713 CZ ARG B 36 -19.259 7.091 -9.955 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -18.772 5.914 -9.579 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -19.466 7.341 -11.240 1.00 2.88 N ATOM 0 H ARG B 36 -20.459 6.800 -4.691 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.972 7.211 -5.908 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -20.144 8.909 -4.821 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.567 9.667 -4.918 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.348 9.603 -6.969 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.618 9.785 -7.183 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -18.398 7.312 -7.432 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -20.132 7.144 -7.241 1.00 0.75 H new ATOM 0 HE ARG B 36 -19.880 8.921 -9.359 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -18.606 5.723 -8.591 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -18.564 5.201 -10.278 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -19.834 8.247 -11.531 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -19.257 6.627 -11.938 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.967 7.410 -2.656 1.00 0.34 N ATOM 1730 CA ASP B 37 -17.026 7.347 -1.549 1.00 0.34 C ATOM 1731 C ASP B 37 -16.027 6.226 -1.809 1.00 0.28 C ATOM 1732 O ASP B 37 -14.837 6.360 -1.524 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.730 7.152 -0.208 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.935 8.462 0.519 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.932 9.048 0.973 1.00 1.47 O ATOM 1736 OD2 ASP B 37 -19.093 8.913 0.646 1.00 1.39 O ATOM 0 H ASP B 37 -18.940 7.227 -2.411 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.500 8.300 -1.487 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.695 6.673 -0.371 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.142 6.479 0.416 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.516 5.131 -2.392 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.636 4.078 -2.892 1.00 0.24 C ATOM 1743 C LEU B 38 -14.864 4.569 -4.114 1.00 0.23 C ATOM 1744 O LEU B 38 -13.820 4.029 -4.441 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.390 2.792 -3.259 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.941 1.969 -2.089 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.997 2.001 -0.906 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.311 2.451 -1.686 1.00 0.49 C ATOM 0 H LEU B 38 -17.511 4.952 -2.528 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.950 3.839 -2.079 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.222 3.058 -3.912 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.720 2.157 -3.839 1.00 0.33 H new ATOM 0 HG LEU B 38 -17.028 0.936 -2.425 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.414 1.409 -0.092 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -15.032 1.587 -1.199 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.864 3.031 -0.575 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.678 1.850 -0.854 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -18.254 3.496 -1.381 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.993 2.356 -2.531 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.423 5.549 -4.819 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.726 6.199 -5.929 1.00 0.26 C ATOM 1762 C ASP B 39 -13.526 6.982 -5.409 1.00 0.24 C ATOM 1763 O ASP B 39 -12.446 6.930 -5.985 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.658 7.117 -6.720 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.950 7.812 -7.866 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.691 7.152 -8.895 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -14.658 9.020 -7.745 1.00 1.53 O ATOM 0 H ASP B 39 -16.359 5.912 -4.642 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.378 5.419 -6.607 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.491 6.534 -7.112 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -16.080 7.866 -6.050 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.724 7.696 -4.304 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.624 8.356 -3.602 1.00 0.24 C ATOM 1774 C ASN B 40 -11.624 7.319 -3.132 1.00 0.24 C ATOM 1775 O ASN B 40 -10.416 7.514 -3.235 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.143 9.168 -2.408 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.782 10.483 -2.822 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.106 11.505 -2.934 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -15.088 10.475 -3.048 1.00 1.29 N ATOM 0 H ASN B 40 -14.638 7.833 -3.873 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.136 9.044 -4.292 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.872 8.572 -1.859 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.317 9.370 -1.725 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.563 11.334 -3.324 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.618 9.610 -2.946 1.00 1.29 H new ATOM 1786 N LEU B 41 -12.141 6.206 -2.624 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.307 5.074 -2.263 1.00 0.28 C ATOM 1788 C LEU B 41 -10.515 4.616 -3.482 1.00 0.30 C ATOM 1789 O LEU B 41 -9.309 4.473 -3.426 1.00 0.37 O ATOM 1790 CB LEU B 41 -12.162 3.921 -1.732 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.368 2.728 -1.195 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.494 3.156 -0.025 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.305 1.605 -0.779 1.00 1.04 C ATOM 0 H LEU B 41 -13.137 6.067 -2.454 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.619 5.382 -1.476 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.804 4.300 -0.937 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.816 3.574 -2.532 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.722 2.357 -1.991 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.936 2.296 0.346 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.797 3.927 -0.354 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -11.122 3.552 0.773 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.722 0.766 -0.400 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.977 1.962 0.002 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.889 1.281 -1.640 1.00 1.04 H new ATOM 1805 N HIS B 42 -11.201 4.451 -4.596 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.591 3.927 -5.809 1.00 0.32 C ATOM 1807 C HIS B 42 -9.599 4.895 -6.421 1.00 0.38 C ATOM 1808 O HIS B 42 -8.640 4.475 -7.047 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.662 3.537 -6.827 1.00 0.32 C ATOM 1810 CG HIS B 42 -12.175 2.156 -6.594 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.794 1.396 -7.555 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -12.116 1.390 -5.486 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -13.098 0.216 -7.048 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.697 0.184 -5.788 1.00 0.39 N ATOM 0 H HIS B 42 -12.192 4.674 -4.689 1.00 0.27 H new ATOM 0 HA HIS B 42 -10.033 3.035 -5.525 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.489 4.245 -6.773 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -11.248 3.606 -7.833 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.690 1.674 -4.535 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.591 -0.588 -7.574 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.802 -0.604 -5.149 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.827 6.179 -6.252 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.892 7.162 -6.750 1.00 0.37 C ATOM 1825 C ALA B 43 -7.690 7.278 -5.823 1.00 0.38 C ATOM 1826 O ALA B 43 -6.552 7.154 -6.259 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.577 8.509 -6.904 1.00 0.42 C ATOM 0 H ALA B 43 -10.644 6.564 -5.778 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.538 6.837 -7.728 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.861 9.240 -7.280 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.405 8.418 -7.607 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.956 8.837 -5.936 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.954 7.484 -4.539 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.895 7.718 -3.566 1.00 0.40 C ATOM 1835 C CYS B 44 -6.134 6.448 -3.168 1.00 0.35 C ATOM 1836 O CYS B 44 -4.950 6.519 -2.849 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.445 8.417 -2.330 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.320 9.961 -2.689 1.00 1.64 S ATOM 0 H CYS B 44 -8.895 7.494 -4.146 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.171 8.366 -4.060 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -8.123 7.738 -1.812 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.622 8.628 -1.647 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.535 9.694 -3.067 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.803 5.297 -3.156 1.00 0.32 N ATOM 1845 CA LEU B 45 -6.143 4.040 -2.786 1.00 0.29 C ATOM 1846 C LEU B 45 -5.279 3.564 -3.941 1.00 0.28 C ATOM 1847 O LEU B 45 -4.173 3.063 -3.756 1.00 0.32 O ATOM 1848 CB LEU B 45 -7.171 2.962 -2.428 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.872 2.152 -1.163 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.528 1.456 -1.269 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.909 3.050 0.060 1.00 1.77 C ATOM 0 H LEU B 45 -7.790 5.205 -3.395 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.521 4.220 -1.909 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -8.144 3.439 -2.310 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -7.254 2.272 -3.268 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.642 1.387 -1.059 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -5.340 0.888 -0.358 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -5.535 0.780 -2.124 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.742 2.200 -1.401 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.695 2.460 0.951 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -6.161 3.836 -0.043 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.898 3.499 0.152 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.797 3.734 -5.137 1.00 0.28 N ATOM 1864 CA ASN B 46 -5.036 3.461 -6.335 1.00 0.33 C ATOM 1865 C ASN B 46 -3.875 4.463 -6.436 1.00 0.36 C ATOM 1866 O ASN B 46 -2.740 4.086 -6.720 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.984 3.501 -7.540 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.295 3.737 -8.871 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.180 3.272 -9.109 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.957 4.475 -9.748 1.00 0.98 N ATOM 0 H ASN B 46 -6.748 4.062 -5.306 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.590 2.467 -6.309 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.530 2.559 -7.589 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.721 4.288 -7.381 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.545 4.677 -10.659 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.879 4.842 -9.513 1.00 0.98 H new ATOM 1877 N LYS B 47 -4.168 5.736 -6.173 1.00 0.35 N ATOM 1878 CA LYS B 47 -3.140 6.762 -5.969 1.00 0.37 C ATOM 1879 C LYS B 47 -2.124 6.337 -4.905 1.00 0.36 C ATOM 1880 O LYS B 47 -0.953 6.688 -4.984 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.804 8.068 -5.531 1.00 0.44 C ATOM 1882 CG LYS B 47 -2.847 9.219 -5.275 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.551 10.384 -4.599 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.958 10.040 -3.176 1.00 1.08 C ATOM 1885 NZ LYS B 47 -2.798 10.032 -2.246 1.00 1.51 N ATOM 0 H LYS B 47 -5.122 6.087 -6.095 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.612 6.900 -6.912 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.516 8.371 -6.298 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.375 7.881 -4.622 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -2.023 8.877 -4.649 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.414 9.551 -6.219 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -2.892 11.253 -4.590 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.435 10.660 -5.175 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.696 10.762 -2.827 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -4.438 9.061 -3.164 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -3.132 9.859 -1.276 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -2.136 9.279 -2.523 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -2.314 10.952 -2.287 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.580 5.600 -3.902 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.695 5.126 -2.849 1.00 0.41 C ATOM 1901 C ALA B 48 -0.672 4.159 -3.420 1.00 0.38 C ATOM 1902 O ALA B 48 0.491 4.174 -3.025 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.477 4.479 -1.720 1.00 0.49 C ATOM 0 H ALA B 48 -3.555 5.318 -3.796 1.00 0.40 H new ATOM 0 HA ALA B 48 -1.170 5.986 -2.434 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.787 4.136 -0.949 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -3.166 5.206 -1.291 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -3.040 3.630 -2.107 1.00 0.49 H new ATOM 1909 N LYS B 49 -1.098 3.345 -4.380 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.173 2.466 -5.081 1.00 0.40 C ATOM 1911 C LYS B 49 0.773 3.314 -5.900 1.00 0.44 C ATOM 1912 O LYS B 49 1.970 3.066 -5.954 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.907 1.530 -6.034 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.935 0.634 -5.384 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.461 -0.359 -6.397 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.391 0.301 -7.404 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.646 -0.570 -8.580 1.00 0.93 N ATOM 0 H LYS B 49 -2.068 3.276 -4.687 1.00 0.39 H new ATOM 0 HA LYS B 49 0.358 1.870 -4.339 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.401 2.129 -6.799 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.173 0.906 -6.543 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.490 0.106 -4.541 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.755 1.233 -4.988 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.625 -0.820 -6.922 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -2.993 -1.158 -5.881 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.337 0.542 -6.920 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.955 1.242 -7.738 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.284 -0.083 -9.241 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.747 -0.780 -9.058 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.086 -1.458 -8.265 1.00 0.93 H new ATOM 1931 N LEU B 50 0.196 4.322 -6.528 1.00 0.40 N ATOM 1932 CA LEU B 50 0.920 5.257 -7.369 1.00 0.45 C ATOM 1933 C LEU B 50 2.054 5.939 -6.608 1.00 0.39 C ATOM 1934 O LEU B 50 3.173 6.045 -7.113 1.00 0.41 O ATOM 1935 CB LEU B 50 -0.069 6.287 -7.919 1.00 0.54 C ATOM 1936 CG LEU B 50 -1.030 5.735 -8.968 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -1.873 6.852 -9.554 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.264 5.003 -10.062 1.00 0.71 C ATOM 0 H LEU B 50 -0.803 4.517 -6.467 1.00 0.40 H new ATOM 0 HA LEU B 50 1.381 4.712 -8.193 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.649 6.695 -7.091 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.491 7.114 -8.355 1.00 0.54 H new ATOM 0 HG LEU B 50 -1.697 5.021 -8.486 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -2.553 6.441 -10.300 1.00 2.10 H new ATOM 0 HD12 LEU B 50 -2.449 7.327 -8.760 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -1.223 7.591 -10.023 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.966 4.616 -10.801 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.428 5.692 -10.545 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.294 4.176 -9.624 1.00 0.71 H new ATOM 1950 N THR B 51 1.767 6.381 -5.390 1.00 0.36 N ATOM 1951 CA THR B 51 2.767 7.047 -4.569 1.00 0.36 C ATOM 1952 C THR B 51 3.886 6.085 -4.179 1.00 0.33 C ATOM 1953 O THR B 51 5.056 6.454 -4.168 1.00 0.35 O ATOM 1954 CB THR B 51 2.141 7.659 -3.296 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.527 6.643 -2.489 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.099 8.698 -3.659 1.00 0.42 C ATOM 0 H THR B 51 0.851 6.290 -4.950 1.00 0.36 H new ATOM 0 HA THR B 51 3.186 7.854 -5.170 1.00 0.36 H new ATOM 0 HB THR B 51 2.943 8.132 -2.730 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.337 5.856 -3.042 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.670 9.117 -2.749 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.566 9.494 -4.240 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.311 8.232 -4.250 1.00 0.42 H new ATOM 1964 N VAL B 52 3.517 4.848 -3.874 1.00 0.30 N ATOM 1965 CA VAL B 52 4.479 3.839 -3.454 1.00 0.28 C ATOM 1966 C VAL B 52 5.324 3.353 -4.625 1.00 0.28 C ATOM 1967 O VAL B 52 6.538 3.190 -4.500 1.00 0.29 O ATOM 1968 CB VAL B 52 3.763 2.648 -2.777 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.743 1.550 -2.418 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.012 3.112 -1.538 1.00 0.33 C ATOM 0 H VAL B 52 2.552 4.518 -3.910 1.00 0.30 H new ATOM 0 HA VAL B 52 5.146 4.304 -2.728 1.00 0.28 H new ATOM 0 HB VAL B 52 3.046 2.240 -3.490 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.209 0.727 -1.944 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.234 1.191 -3.322 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.492 1.941 -1.729 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.514 2.261 -1.074 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.715 3.551 -0.830 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.269 3.857 -1.821 1.00 0.33 H new ATOM 1980 N GLY B 53 4.673 3.145 -5.760 1.00 0.35 N ATOM 1981 CA GLY B 53 5.370 2.729 -6.954 1.00 0.43 C ATOM 1982 C GLY B 53 6.435 3.728 -7.301 1.00 0.39 C ATOM 1983 O GLY B 53 7.563 3.379 -7.658 1.00 0.39 O ATOM 0 H GLY B 53 3.666 3.259 -5.873 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.817 1.747 -6.800 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.666 2.633 -7.781 1.00 0.43 H new ATOM 1987 N ARG B 54 6.068 4.984 -7.156 1.00 0.39 N ATOM 1988 CA ARG B 54 6.961 6.074 -7.436 1.00 0.38 C ATOM 1989 C ARG B 54 7.966 6.313 -6.325 1.00 0.30 C ATOM 1990 O ARG B 54 9.068 6.783 -6.588 1.00 0.29 O ATOM 1991 CB ARG B 54 6.170 7.317 -7.762 1.00 0.50 C ATOM 1992 CG ARG B 54 5.559 7.218 -9.139 1.00 1.18 C ATOM 1993 CD ARG B 54 4.883 8.498 -9.544 1.00 1.37 C ATOM 1994 NE ARG B 54 5.825 9.602 -9.728 1.00 1.71 N ATOM 1995 CZ ARG B 54 5.607 10.633 -10.544 1.00 2.21 C ATOM 1996 NH1 ARG B 54 4.506 10.679 -11.286 1.00 2.36 N ATOM 1997 NH2 ARG B 54 6.495 11.617 -10.626 1.00 2.84 N ATOM 0 H ARG B 54 5.142 5.272 -6.841 1.00 0.39 H new ATOM 0 HA ARG B 54 7.554 5.801 -8.309 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.384 7.458 -7.020 1.00 0.50 H new ATOM 0 HB3 ARG B 54 6.819 8.191 -7.709 1.00 0.50 H new ATOM 0 HG2 ARG B 54 6.335 6.972 -9.864 1.00 1.18 H new ATOM 0 HG3 ARG B 54 4.835 6.403 -9.158 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.334 8.336 -10.472 1.00 1.37 H new ATOM 0 HD3 ARG B 54 4.151 8.773 -8.785 1.00 1.37 H new ATOM 0 HE ARG B 54 6.699 9.582 -9.202 1.00 1.71 H new ATOM 0 HH11 ARG B 54 3.823 9.923 -11.233 1.00 2.36 H new ATOM 0 HH12 ARG B 54 4.344 11.470 -11.909 1.00 2.36 H new ATOM 0 HH21 ARG B 54 7.346 11.585 -10.064 1.00 2.84 H new ATOM 0 HH22 ARG B 54 6.327 12.405 -11.251 1.00 2.84 H new ATOM 2011 N MET B 55 7.599 5.989 -5.095 1.00 0.30 N ATOM 2012 CA MET B 55 8.546 6.069 -3.992 1.00 0.29 C ATOM 2013 C MET B 55 9.683 5.088 -4.236 1.00 0.25 C ATOM 2014 O MET B 55 10.853 5.408 -4.033 1.00 0.26 O ATOM 2015 CB MET B 55 7.868 5.774 -2.649 1.00 0.31 C ATOM 2016 CG MET B 55 8.799 5.948 -1.461 1.00 0.33 C ATOM 2017 SD MET B 55 9.426 7.633 -1.318 1.00 0.76 S ATOM 2018 CE MET B 55 10.682 7.424 -0.063 1.00 0.39 C ATOM 0 H MET B 55 6.665 5.672 -4.836 1.00 0.30 H new ATOM 0 HA MET B 55 8.939 7.085 -3.944 1.00 0.29 H new ATOM 0 HB2 MET B 55 7.009 6.434 -2.530 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.487 4.753 -2.658 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.270 5.682 -0.546 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.638 5.258 -1.556 1.00 0.33 H new ATOM 0 HE1 MET B 55 11.462 8.173 -0.201 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.234 7.543 0.923 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.117 6.428 -0.146 1.00 0.39 H new ATOM 2028 N VAL B 56 9.326 3.894 -4.702 1.00 0.25 N ATOM 2029 CA VAL B 56 10.314 2.912 -5.123 1.00 0.25 C ATOM 2030 C VAL B 56 11.146 3.478 -6.266 1.00 0.23 C ATOM 2031 O VAL B 56 12.362 3.301 -6.313 1.00 0.23 O ATOM 2032 CB VAL B 56 9.649 1.591 -5.570 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.687 0.610 -6.093 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.863 0.978 -4.420 1.00 0.34 C ATOM 0 H VAL B 56 8.358 3.586 -4.797 1.00 0.25 H new ATOM 0 HA VAL B 56 10.955 2.694 -4.269 1.00 0.25 H new ATOM 0 HB VAL B 56 8.958 1.814 -6.383 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.194 -0.312 -6.401 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.204 1.048 -6.947 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.408 0.390 -5.306 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.400 0.048 -4.750 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.536 0.773 -3.588 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.089 1.674 -4.097 1.00 0.34 H new ATOM 2044 N THR B 57 10.479 4.192 -7.167 1.00 0.24 N ATOM 2045 CA THR B 57 11.151 4.830 -8.288 1.00 0.27 C ATOM 2046 C THR B 57 12.174 5.859 -7.792 1.00 0.26 C ATOM 2047 O THR B 57 13.237 6.011 -8.383 1.00 0.30 O ATOM 2048 CB THR B 57 10.147 5.520 -9.232 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.106 4.603 -9.600 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.834 6.034 -10.490 1.00 0.43 C ATOM 0 H THR B 57 9.470 4.342 -7.140 1.00 0.24 H new ATOM 0 HA THR B 57 11.666 4.046 -8.843 1.00 0.27 H new ATOM 0 HB THR B 57 9.719 6.369 -8.699 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.720 4.205 -8.792 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.099 6.515 -11.135 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.604 6.755 -10.215 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.292 5.200 -11.021 1.00 0.43 H new ATOM 2058 N SER B 58 11.847 6.542 -6.691 1.00 0.31 N ATOM 2059 CA SER B 58 12.742 7.533 -6.090 1.00 0.37 C ATOM 2060 C SER B 58 14.059 6.894 -5.651 1.00 0.30 C ATOM 2061 O SER B 58 15.138 7.410 -5.945 1.00 0.38 O ATOM 2062 CB SER B 58 12.060 8.199 -4.894 1.00 0.49 C ATOM 2063 OG SER B 58 10.811 8.753 -5.270 1.00 1.23 O ATOM 0 H SER B 58 10.963 6.425 -6.196 1.00 0.31 H new ATOM 0 HA SER B 58 12.966 8.288 -6.844 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.914 7.467 -4.099 1.00 0.49 H new ATOM 0 HB3 SER B 58 12.704 8.982 -4.492 1.00 0.49 H new ATOM 0 HG SER B 58 10.208 8.036 -5.557 1.00 1.23 H new ATOM 2069 N LEU B 59 13.968 5.770 -4.949 1.00 0.24 N ATOM 2070 CA LEU B 59 15.159 5.031 -4.537 1.00 0.25 C ATOM 2071 C LEU B 59 15.877 4.470 -5.760 1.00 0.21 C ATOM 2072 O LEU B 59 17.100 4.346 -5.783 1.00 0.27 O ATOM 2073 CB LEU B 59 14.795 3.894 -3.568 1.00 0.37 C ATOM 2074 CG LEU B 59 14.473 4.314 -2.125 1.00 0.37 C ATOM 2075 CD1 LEU B 59 15.569 5.204 -1.570 1.00 1.38 C ATOM 2076 CD2 LEU B 59 13.129 5.017 -2.038 1.00 1.37 C ATOM 0 H LEU B 59 13.086 5.351 -4.654 1.00 0.24 H new ATOM 0 HA LEU B 59 15.825 5.720 -4.017 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.933 3.362 -3.971 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.623 3.186 -3.543 1.00 0.37 H new ATOM 0 HG LEU B 59 14.418 3.407 -1.523 1.00 0.37 H new ATOM 0 HD11 LEU B 59 15.322 5.490 -0.548 1.00 1.38 H new ATOM 0 HD12 LEU B 59 16.515 4.663 -1.577 1.00 1.38 H new ATOM 0 HD13 LEU B 59 15.658 6.099 -2.186 1.00 1.38 H new ATOM 0 HD21 LEU B 59 12.933 5.300 -1.004 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.145 5.910 -2.662 1.00 1.37 H new ATOM 0 HD23 LEU B 59 12.344 4.345 -2.385 1.00 1.37 H new ATOM 2088 N LEU B 60 15.097 4.156 -6.783 1.00 0.19 N ATOM 2089 CA LEU B 60 15.617 3.623 -8.037 1.00 0.24 C ATOM 2090 C LEU B 60 16.280 4.711 -8.886 1.00 0.27 C ATOM 2091 O LEU B 60 16.874 4.419 -9.927 1.00 0.32 O ATOM 2092 CB LEU B 60 14.473 2.963 -8.814 1.00 0.26 C ATOM 2093 CG LEU B 60 14.107 1.546 -8.364 1.00 0.46 C ATOM 2094 CD1 LEU B 60 12.931 1.017 -9.168 1.00 1.29 C ATOM 2095 CD2 LEU B 60 15.303 0.617 -8.495 1.00 0.57 C ATOM 0 H LEU B 60 14.083 4.263 -6.769 1.00 0.19 H new ATOM 0 HA LEU B 60 16.384 2.884 -7.806 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.588 3.593 -8.729 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.743 2.933 -9.870 1.00 0.26 H new ATOM 0 HG LEU B 60 13.816 1.585 -7.314 1.00 0.46 H new ATOM 0 HD11 LEU B 60 12.686 0.009 -8.834 1.00 1.29 H new ATOM 0 HD12 LEU B 60 12.069 1.667 -9.022 1.00 1.29 H new ATOM 0 HD13 LEU B 60 13.194 0.995 -10.226 1.00 1.29 H new ATOM 0 HD21 LEU B 60 15.023 -0.385 -8.170 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.626 0.584 -9.536 1.00 0.57 H new ATOM 0 HD23 LEU B 60 16.119 0.985 -7.873 1.00 0.57 H new ATOM 2107 N GLU B 61 16.180 5.958 -8.441 1.00 0.27 N ATOM 2108 CA GLU B 61 16.770 7.084 -9.159 1.00 0.33 C ATOM 2109 C GLU B 61 18.198 7.368 -8.695 1.00 0.36 C ATOM 2110 O GLU B 61 18.729 8.454 -8.936 1.00 0.43 O ATOM 2111 CB GLU B 61 15.913 8.341 -8.977 1.00 0.37 C ATOM 2112 CG GLU B 61 14.601 8.311 -9.741 1.00 1.02 C ATOM 2113 CD GLU B 61 14.797 8.303 -11.242 1.00 2.03 C ATOM 2114 OE1 GLU B 61 14.881 9.396 -11.837 1.00 2.79 O ATOM 2115 OE2 GLU B 61 14.859 7.206 -11.834 1.00 2.59 O ATOM 0 H GLU B 61 15.694 6.217 -7.582 1.00 0.27 H new ATOM 0 HA GLU B 61 16.803 6.813 -10.214 1.00 0.33 H new ATOM 0 HB2 GLU B 61 15.701 8.473 -7.916 1.00 0.37 H new ATOM 0 HB3 GLU B 61 16.488 9.210 -9.297 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.035 7.426 -9.448 1.00 1.02 H new ATOM 0 HG3 GLU B 61 14.003 9.179 -9.462 1.00 1.02 H new ATOM 2122 N LYS B 62 18.827 6.398 -8.048 1.00 0.36 N ATOM 2123 CA LYS B 62 20.193 6.569 -7.571 1.00 0.40 C ATOM 2124 C LYS B 62 20.880 5.226 -7.391 1.00 0.35 C ATOM 2125 O LYS B 62 20.410 4.364 -6.648 1.00 0.30 O ATOM 2126 CB LYS B 62 20.235 7.398 -6.288 1.00 0.48 C ATOM 2127 CG LYS B 62 19.130 7.089 -5.300 1.00 0.51 C ATOM 2128 CD LYS B 62 18.884 8.291 -4.416 1.00 0.76 C ATOM 2129 CE LYS B 62 17.532 8.231 -3.735 1.00 0.83 C ATOM 2130 NZ LYS B 62 17.302 9.422 -2.876 1.00 0.91 N ATOM 0 H LYS B 62 18.416 5.488 -7.841 1.00 0.36 H new ATOM 0 HA LYS B 62 20.745 7.122 -8.331 1.00 0.40 H new ATOM 0 HB2 LYS B 62 21.196 7.238 -5.799 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.183 8.454 -6.552 1.00 0.48 H new ATOM 0 HG2 LYS B 62 18.217 6.825 -5.833 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.404 6.228 -4.691 1.00 0.51 H new ATOM 0 HD2 LYS B 62 19.667 8.351 -3.661 1.00 0.76 H new ATOM 0 HD3 LYS B 62 18.948 9.200 -5.015 1.00 0.76 H new ATOM 0 HE2 LYS B 62 16.747 8.167 -4.488 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.468 7.327 -3.130 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 16.744 9.146 -2.043 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 18.217 9.810 -2.568 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 16.784 10.145 -3.416 1.00 0.91 H new ATOM 2144 N PRO B 63 22.026 5.054 -8.060 1.00 0.46 N ATOM 2145 CA PRO B 63 22.679 3.757 -8.198 1.00 0.48 C ATOM 2146 C PRO B 63 23.309 3.270 -6.903 1.00 0.41 C ATOM 2147 O PRO B 63 23.439 2.066 -6.686 1.00 0.40 O ATOM 2148 CB PRO B 63 23.741 3.991 -9.274 1.00 0.59 C ATOM 2149 CG PRO B 63 24.010 5.460 -9.267 1.00 0.94 C ATOM 2150 CD PRO B 63 22.782 6.138 -8.712 1.00 0.65 C ATOM 0 HA PRO B 63 21.965 2.977 -8.461 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.648 3.426 -9.058 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.387 3.663 -10.251 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.884 5.688 -8.657 1.00 0.94 H new ATOM 0 HG3 PRO B 63 24.224 5.816 -10.275 1.00 0.94 H new ATOM 0 HD2 PRO B 63 23.048 6.920 -8.001 1.00 0.65 H new ATOM 0 HD3 PRO B 63 22.198 6.610 -9.502 1.00 0.65 H new ATOM 2158 N SER B 64 23.686 4.201 -6.039 1.00 0.40 N ATOM 2159 CA SER B 64 24.228 3.844 -4.740 1.00 0.37 C ATOM 2160 C SER B 64 23.158 3.134 -3.917 1.00 0.34 C ATOM 2161 O SER B 64 23.383 2.045 -3.395 1.00 0.38 O ATOM 2162 CB SER B 64 24.732 5.093 -4.018 1.00 0.39 C ATOM 2163 OG SER B 64 25.576 5.855 -4.868 1.00 1.25 O ATOM 0 H SER B 64 23.626 5.204 -6.214 1.00 0.40 H new ATOM 0 HA SER B 64 25.072 3.167 -4.873 1.00 0.37 H new ATOM 0 HB2 SER B 64 23.886 5.701 -3.697 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.277 4.805 -3.119 1.00 0.39 H new ATOM 0 HG SER B 64 25.888 6.652 -4.390 1.00 1.25 H new ATOM 2169 N VAL B 65 21.980 3.748 -3.840 1.00 0.30 N ATOM 2170 CA VAL B 65 20.839 3.144 -3.166 1.00 0.30 C ATOM 2171 C VAL B 65 20.481 1.798 -3.799 1.00 0.29 C ATOM 2172 O VAL B 65 20.316 0.800 -3.097 1.00 0.30 O ATOM 2173 CB VAL B 65 19.609 4.083 -3.201 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.344 3.340 -2.812 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.817 5.280 -2.280 1.00 0.33 C ATOM 0 H VAL B 65 21.793 4.668 -4.239 1.00 0.30 H new ATOM 0 HA VAL B 65 21.123 2.980 -2.126 1.00 0.30 H new ATOM 0 HB VAL B 65 19.496 4.443 -4.224 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.496 4.024 -2.845 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.176 2.519 -3.509 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.451 2.943 -1.802 1.00 0.38 H new ATOM 0 HG21 VAL B 65 18.940 5.927 -2.320 1.00 0.33 H new ATOM 0 HG22 VAL B 65 19.964 4.931 -1.258 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.695 5.839 -2.603 1.00 0.33 H new ATOM 2185 N VAL B 66 20.395 1.776 -5.127 1.00 0.29 N ATOM 2186 CA VAL B 66 20.042 0.561 -5.858 1.00 0.30 C ATOM 2187 C VAL B 66 21.014 -0.579 -5.546 1.00 0.30 C ATOM 2188 O VAL B 66 20.587 -1.703 -5.278 1.00 0.30 O ATOM 2189 CB VAL B 66 20.006 0.812 -7.386 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.668 -0.460 -8.145 1.00 0.35 C ATOM 2191 CG2 VAL B 66 19.000 1.901 -7.725 1.00 0.34 C ATOM 0 H VAL B 66 20.565 2.588 -5.720 1.00 0.29 H new ATOM 0 HA VAL B 66 19.045 0.271 -5.528 1.00 0.30 H new ATOM 0 HB VAL B 66 21.000 1.139 -7.691 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.650 -0.252 -9.215 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.421 -1.220 -7.936 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.690 -0.823 -7.830 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.989 2.063 -8.803 1.00 0.34 H new ATOM 0 HG22 VAL B 66 18.008 1.595 -7.394 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.282 2.826 -7.222 1.00 0.34 H new ATOM 2201 N ALA B 67 22.311 -0.274 -5.547 1.00 0.33 N ATOM 2202 CA ALA B 67 23.342 -1.283 -5.296 1.00 0.35 C ATOM 2203 C ALA B 67 23.181 -1.917 -3.926 1.00 0.32 C ATOM 2204 O ALA B 67 23.391 -3.115 -3.763 1.00 0.34 O ATOM 2205 CB ALA B 67 24.734 -0.693 -5.406 1.00 0.42 C ATOM 0 H ALA B 67 22.674 0.664 -5.719 1.00 0.33 H new ATOM 0 HA ALA B 67 23.216 -2.050 -6.060 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.474 -1.469 -5.214 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.881 -0.292 -6.409 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.849 0.107 -4.675 1.00 0.42 H new ATOM 2211 N TYR B 68 22.830 -1.108 -2.941 1.00 0.30 N ATOM 2212 CA TYR B 68 22.649 -1.600 -1.584 1.00 0.30 C ATOM 2213 C TYR B 68 21.415 -2.481 -1.473 1.00 0.30 C ATOM 2214 O TYR B 68 21.398 -3.442 -0.703 1.00 0.33 O ATOM 2215 CB TYR B 68 22.611 -0.449 -0.587 1.00 0.32 C ATOM 2216 CG TYR B 68 23.995 0.062 -0.269 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.852 -0.683 0.527 1.00 1.06 C ATOM 2218 CD2 TYR B 68 24.456 1.266 -0.782 1.00 1.31 C ATOM 2219 CE1 TYR B 68 26.125 -0.240 0.810 1.00 1.28 C ATOM 2220 CE2 TYR B 68 25.732 1.714 -0.508 1.00 1.54 C ATOM 2221 CZ TYR B 68 26.562 0.956 0.289 1.00 1.19 C ATOM 2222 OH TYR B 68 27.832 1.395 0.569 1.00 1.55 O ATOM 0 H TYR B 68 22.665 -0.108 -3.054 1.00 0.30 H new ATOM 0 HA TYR B 68 23.509 -2.221 -1.336 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.008 0.363 -0.992 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.125 -0.779 0.331 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.516 -1.626 0.932 1.00 1.06 H new ATOM 0 HD2 TYR B 68 23.806 1.862 -1.406 1.00 1.31 H new ATOM 0 HE1 TYR B 68 26.777 -0.829 1.438 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.078 2.652 -0.915 1.00 1.54 H new ATOM 0 HH TYR B 68 27.986 2.255 0.125 1.00 1.55 H new ATOM 2232 N LEU B 69 20.381 -2.145 -2.228 1.00 0.28 N ATOM 2233 CA LEU B 69 19.172 -2.957 -2.267 1.00 0.29 C ATOM 2234 C LEU B 69 19.479 -4.357 -2.789 1.00 0.31 C ATOM 2235 O LEU B 69 19.086 -5.351 -2.185 1.00 0.34 O ATOM 2236 CB LEU B 69 18.121 -2.283 -3.143 1.00 0.28 C ATOM 2237 CG LEU B 69 17.757 -0.875 -2.707 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.954 -0.160 -3.780 1.00 0.30 C ATOM 2239 CD2 LEU B 69 16.990 -0.903 -1.401 1.00 0.33 C ATOM 0 H LEU B 69 20.353 -1.316 -2.822 1.00 0.28 H new ATOM 0 HA LEU B 69 18.782 -3.050 -1.253 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.486 -2.250 -4.169 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.219 -2.895 -3.145 1.00 0.28 H new ATOM 0 HG LEU B 69 18.683 -0.321 -2.554 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.707 0.846 -3.440 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.543 -0.100 -4.695 1.00 0.30 H new ATOM 0 HD13 LEU B 69 16.035 -0.712 -3.975 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.738 0.115 -1.105 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.075 -1.481 -1.529 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.605 -1.364 -0.628 1.00 0.33 H new ATOM 2251 N GLU B 70 20.197 -4.438 -3.898 1.00 0.32 N ATOM 2252 CA GLU B 70 20.578 -5.733 -4.445 1.00 0.39 C ATOM 2253 C GLU B 70 21.659 -6.367 -3.595 1.00 0.44 C ATOM 2254 O GLU B 70 21.719 -7.583 -3.430 1.00 0.53 O ATOM 2255 CB GLU B 70 21.038 -5.609 -5.896 1.00 0.44 C ATOM 2256 CG GLU B 70 21.746 -4.303 -6.217 1.00 0.45 C ATOM 2257 CD GLU B 70 22.325 -4.270 -7.617 1.00 0.56 C ATOM 2258 OE1 GLU B 70 22.308 -5.317 -8.303 1.00 1.32 O ATOM 2259 OE2 GLU B 70 22.811 -3.200 -8.039 1.00 1.15 O ATOM 0 H GLU B 70 20.525 -3.634 -4.433 1.00 0.32 H new ATOM 0 HA GLU B 70 19.699 -6.377 -4.430 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.708 -6.438 -6.125 1.00 0.44 H new ATOM 0 HB3 GLU B 70 20.172 -5.710 -6.550 1.00 0.44 H new ATOM 0 HG2 GLU B 70 21.044 -3.478 -6.101 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.547 -4.144 -5.495 1.00 0.45 H new ATOM 2266 N GLY B 71 22.485 -5.513 -3.033 1.00 0.44 N ATOM 2267 CA GLY B 71 23.517 -5.950 -2.136 1.00 0.53 C ATOM 2268 C GLY B 71 24.806 -6.252 -2.854 1.00 0.65 C ATOM 2269 O GLY B 71 25.472 -7.247 -2.571 1.00 0.79 O ATOM 0 H GLY B 71 22.457 -4.505 -3.187 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.693 -5.180 -1.385 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.181 -6.841 -1.606 1.00 0.53 H new ATOM 2273 N LYS B 72 25.153 -5.389 -3.784 1.00 0.69 N ATOM 2274 CA LYS B 72 26.343 -5.565 -4.589 1.00 0.93 C ATOM 2275 C LYS B 72 27.480 -4.729 -4.016 1.00 1.13 C ATOM 2276 O LYS B 72 28.346 -5.291 -3.312 1.00 1.49 O ATOM 2277 CB LYS B 72 26.038 -5.161 -6.032 1.00 1.21 C ATOM 2278 CG LYS B 72 24.901 -5.956 -6.653 1.00 1.13 C ATOM 2279 CD LYS B 72 25.246 -7.429 -6.817 1.00 1.47 C ATOM 2280 CE LYS B 72 24.039 -8.234 -7.287 1.00 1.99 C ATOM 2281 NZ LYS B 72 23.457 -7.705 -8.555 1.00 2.58 N ATOM 2282 OXT LYS B 72 27.483 -3.504 -4.238 1.00 1.80 O ATOM 0 H LYS B 72 24.620 -4.547 -4.003 1.00 0.69 H new ATOM 0 HA LYS B 72 26.651 -6.611 -4.576 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.788 -4.101 -6.060 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.936 -5.292 -6.636 1.00 1.21 H new ATOM 0 HG2 LYS B 72 24.012 -5.861 -6.030 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.654 -5.533 -7.627 1.00 1.13 H new ATOM 0 HD2 LYS B 72 26.059 -7.536 -7.535 1.00 1.47 H new ATOM 0 HD3 LYS B 72 25.604 -7.828 -5.868 1.00 1.47 H new ATOM 0 HE2 LYS B 72 24.334 -9.273 -7.432 1.00 1.99 H new ATOM 0 HE3 LYS B 72 23.275 -8.225 -6.509 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 22.940 -8.464 -9.043 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 22.804 -6.925 -8.338 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 24.221 -7.357 -9.169 1.00 2.58 H new