USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1096 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 148 LYS NZ :NH3+ 177:sc= -0.404 (180deg=-0.546) USER MOD Set 2.1: A 72 MET CE :methyl 157:sc= -4.47 (180deg=-6.22) USER MOD Set 2.2: A 76 MET CE :methyl 167:sc= -0.507 (180deg=-1.21) USER MOD Set 3.1: A 60 ASN : amide:sc= -10.7! K(o=-11!,f=-5.1) USER MOD Set 3.2: A 62 THR OG1 : rot 61:sc= -0.685 USER MOD Set 4.1: A 36 MET CE :methyl 134:sc= -0.177 (180deg=-0.87) USER MOD Set 4.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= -0.0647 USER MOD Set 5.2: A 8 GLN : amide:sc= -0.349 K(o=-0.41,f=-2.3!) USER MOD Single : A 1 ALA N :NH3+ -114:sc= -1.67! (180deg=-3.24!) USER MOD Single : A 3 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 27:sc= 0.881 USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.196 (180deg=-1.07) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -91:sc= 1.14 USER MOD Single : A 41 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.013) USER MOD Single : A 42 ASN : amide:sc= -0.0394 K(o=-0.039,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.109 (180deg=-1.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -58:sc= 0.502 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -3.89! K(o=-3.9!,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 109 MET CE :methyl -172:sc= -2.32 (180deg=-2.43) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.582 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -93:sc= 1.23 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -3.02! C(o=-3!,f=-13!) USER MOD Single : A 138 TYR OH : rot -24:sc= 1.29 USER MOD Single : A 143 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.3!) USER MOD Single : A 144 MET CE :methyl -157:sc= 0 (180deg=-0.0252) USER MOD Single : A 145 MET CE :methyl -151:sc= -1.28 (180deg=-5.11!) USER MOD Single : A 146 THR OG1 : rot 80:sc= 0.371 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.752 13.406 -9.444 1.00 1.69 N ATOM 2 CA ALA A 1 14.275 13.596 -9.508 1.00 1.15 C ATOM 3 C ALA A 1 13.616 12.870 -8.333 1.00 1.15 C ATOM 4 O ALA A 1 14.234 12.061 -7.667 1.00 1.37 O ATOM 5 CB ALA A 1 13.743 13.025 -10.824 1.00 0.32 C ATOM 0 H1 ALA A 1 16.212 14.321 -9.261 1.00 1.69 H new ATOM 0 H2 ALA A 1 15.984 12.742 -8.677 1.00 1.69 H new ATOM 0 H3 ALA A 1 16.092 13.022 -10.349 1.00 1.69 H new ATOM 0 HA ALA A 1 14.043 14.660 -9.454 1.00 1.15 H new ATOM 0 HB1 ALA A 1 12.663 13.164 -10.871 1.00 0.32 H new ATOM 0 HB2 ALA A 1 14.212 13.542 -11.661 1.00 0.32 H new ATOM 0 HB3 ALA A 1 13.975 11.961 -10.879 1.00 0.32 H new ATOM 13 N ASP A 2 12.368 13.154 -8.070 1.00 1.31 N ATOM 14 CA ASP A 2 11.668 12.484 -6.933 1.00 1.30 C ATOM 15 C ASP A 2 11.080 11.164 -7.406 1.00 1.07 C ATOM 16 O ASP A 2 10.247 10.561 -6.759 1.00 1.11 O ATOM 17 CB ASP A 2 10.547 13.385 -6.429 1.00 1.60 C ATOM 18 CG ASP A 2 9.995 12.838 -5.113 1.00 2.04 C ATOM 19 OD1 ASP A 2 10.651 13.011 -4.100 1.00 2.66 O ATOM 20 OD2 ASP A 2 8.922 12.256 -5.139 1.00 2.44 O ATOM 0 H ASP A 2 11.802 13.822 -8.594 1.00 1.31 H new ATOM 0 HA ASP A 2 12.378 12.298 -6.127 1.00 1.30 H new ATOM 0 HB2 ASP A 2 10.920 14.399 -6.284 1.00 1.60 H new ATOM 0 HB3 ASP A 2 9.752 13.442 -7.172 1.00 1.60 H new ATOM 25 N GLN A 3 11.517 10.722 -8.534 1.00 0.88 N ATOM 26 CA GLN A 3 11.001 9.427 -9.090 1.00 0.77 C ATOM 27 C GLN A 3 11.331 8.290 -8.127 1.00 0.55 C ATOM 28 O GLN A 3 12.322 8.321 -7.426 1.00 0.43 O ATOM 29 CB GLN A 3 11.626 9.127 -10.460 1.00 0.73 C ATOM 30 CG GLN A 3 11.226 10.228 -11.438 1.00 1.01 C ATOM 31 CD GLN A 3 12.040 10.095 -12.728 1.00 0.98 C ATOM 32 OE1 GLN A 3 12.064 9.044 -13.338 1.00 0.81 O ATOM 33 NE2 GLN A 3 12.714 11.120 -13.170 1.00 2.13 N ATOM 0 H GLN A 3 12.214 11.193 -9.111 1.00 0.88 H new ATOM 0 HA GLN A 3 9.921 9.514 -9.212 1.00 0.77 H new ATOM 0 HB2 GLN A 3 12.711 9.074 -10.376 1.00 0.73 H new ATOM 0 HB3 GLN A 3 11.287 8.157 -10.825 1.00 0.73 H new ATOM 0 HG2 GLN A 3 10.161 10.161 -11.660 1.00 1.01 H new ATOM 0 HG3 GLN A 3 11.397 11.206 -10.989 1.00 1.01 H new ATOM 0 HE21 GLN A 3 12.694 12.002 -12.659 1.00 2.13 H new ATOM 0 HE22 GLN A 3 13.261 11.040 -14.027 1.00 2.13 H new ATOM 42 N LEU A 4 10.502 7.284 -8.088 1.00 0.56 N ATOM 43 CA LEU A 4 10.764 6.138 -7.169 1.00 0.44 C ATOM 44 C LEU A 4 12.105 5.497 -7.530 1.00 0.45 C ATOM 45 O LEU A 4 12.306 5.036 -8.636 1.00 0.49 O ATOM 46 CB LEU A 4 9.657 5.090 -7.313 1.00 0.44 C ATOM 47 CG LEU A 4 8.308 5.662 -6.863 1.00 0.40 C ATOM 48 CD1 LEU A 4 7.203 4.674 -7.247 1.00 0.34 C ATOM 49 CD2 LEU A 4 8.293 5.877 -5.337 1.00 0.35 C ATOM 0 H LEU A 4 9.655 7.205 -8.651 1.00 0.56 H new ATOM 0 HA LEU A 4 10.788 6.502 -6.142 1.00 0.44 H new ATOM 0 HB2 LEU A 4 9.591 4.763 -8.351 1.00 0.44 H new ATOM 0 HB3 LEU A 4 9.902 4.211 -6.717 1.00 0.44 H new ATOM 0 HG LEU A 4 8.145 6.623 -7.351 1.00 0.40 H new ATOM 0 HD11 LEU A 4 6.237 5.069 -6.933 1.00 0.34 H new ATOM 0 HD12 LEU A 4 7.202 4.531 -8.328 1.00 0.34 H new ATOM 0 HD13 LEU A 4 7.382 3.718 -6.755 1.00 0.34 H new ATOM 0 HD21 LEU A 4 7.327 6.284 -5.036 1.00 0.35 H new ATOM 0 HD22 LEU A 4 8.458 4.924 -4.834 1.00 0.35 H new ATOM 0 HD23 LEU A 4 9.083 6.575 -5.060 1.00 0.35 H new ATOM 61 N THR A 5 13.020 5.452 -6.602 1.00 0.44 N ATOM 62 CA THR A 5 14.339 4.829 -6.893 1.00 0.45 C ATOM 63 C THR A 5 14.182 3.305 -6.897 1.00 0.41 C ATOM 64 O THR A 5 13.285 2.766 -6.280 1.00 0.34 O ATOM 65 CB THR A 5 15.344 5.244 -5.817 1.00 0.46 C ATOM 66 OG1 THR A 5 14.761 5.065 -4.533 1.00 0.45 O ATOM 67 CG2 THR A 5 15.719 6.713 -6.010 1.00 0.48 C ATOM 0 H THR A 5 12.911 5.819 -5.657 1.00 0.44 H new ATOM 0 HA THR A 5 14.700 5.160 -7.867 1.00 0.45 H new ATOM 0 HB THR A 5 16.240 4.629 -5.897 1.00 0.46 H new ATOM 0 HG1 THR A 5 15.404 5.329 -3.842 1.00 0.45 H new ATOM 0 HG21 THR A 5 16.435 7.009 -5.244 1.00 0.48 H new ATOM 0 HG22 THR A 5 16.165 6.848 -6.995 1.00 0.48 H new ATOM 0 HG23 THR A 5 14.824 7.331 -5.929 1.00 0.48 H new ATOM 75 N GLU A 6 15.041 2.604 -7.588 1.00 0.48 N ATOM 76 CA GLU A 6 14.926 1.118 -7.627 1.00 0.49 C ATOM 77 C GLU A 6 14.890 0.567 -6.199 1.00 0.45 C ATOM 78 O GLU A 6 14.328 -0.479 -5.941 1.00 0.40 O ATOM 79 CB GLU A 6 16.129 0.533 -8.372 1.00 0.55 C ATOM 80 CG GLU A 6 15.978 0.803 -9.871 1.00 1.10 C ATOM 81 CD GLU A 6 17.278 0.430 -10.591 1.00 0.94 C ATOM 82 OE1 GLU A 6 17.582 -0.750 -10.647 1.00 1.01 O ATOM 83 OE2 GLU A 6 17.945 1.331 -11.072 1.00 1.89 O ATOM 0 H GLU A 6 15.815 2.995 -8.125 1.00 0.48 H new ATOM 0 HA GLU A 6 14.008 0.839 -8.144 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.052 0.979 -8.002 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.198 -0.539 -8.189 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.147 0.223 -10.274 1.00 1.10 H new ATOM 0 HG3 GLU A 6 15.745 1.854 -10.040 1.00 1.10 H new ATOM 90 N GLU A 7 15.483 1.263 -5.268 1.00 0.51 N ATOM 91 CA GLU A 7 15.477 0.780 -3.857 1.00 0.48 C ATOM 92 C GLU A 7 14.089 1.000 -3.252 1.00 0.47 C ATOM 93 O GLU A 7 13.505 0.105 -2.674 1.00 0.47 O ATOM 94 CB GLU A 7 16.517 1.557 -3.045 1.00 0.49 C ATOM 95 CG GLU A 7 17.925 1.138 -3.477 1.00 0.38 C ATOM 96 CD GLU A 7 18.954 1.728 -2.511 1.00 0.80 C ATOM 97 OE1 GLU A 7 18.559 2.126 -1.426 1.00 1.84 O ATOM 98 OE2 GLU A 7 20.118 1.772 -2.871 1.00 1.02 O ATOM 0 H GLU A 7 15.971 2.145 -5.423 1.00 0.51 H new ATOM 0 HA GLU A 7 15.721 -0.282 -3.835 1.00 0.48 H new ATOM 0 HB2 GLU A 7 16.384 2.628 -3.195 1.00 0.49 H new ATOM 0 HB3 GLU A 7 16.380 1.365 -1.981 1.00 0.49 H new ATOM 0 HG2 GLU A 7 18.004 0.051 -3.490 1.00 0.38 H new ATOM 0 HG3 GLU A 7 18.123 1.484 -4.492 1.00 0.38 H new ATOM 105 N GLN A 8 13.551 2.182 -3.383 1.00 0.48 N ATOM 106 CA GLN A 8 12.200 2.449 -2.816 1.00 0.50 C ATOM 107 C GLN A 8 11.221 1.398 -3.342 1.00 0.44 C ATOM 108 O GLN A 8 10.325 0.965 -2.646 1.00 0.45 O ATOM 109 CB GLN A 8 11.729 3.845 -3.235 1.00 0.58 C ATOM 110 CG GLN A 8 12.497 4.904 -2.441 1.00 0.64 C ATOM 111 CD GLN A 8 12.289 6.275 -3.087 1.00 0.67 C ATOM 112 OE1 GLN A 8 11.355 6.469 -3.838 1.00 1.18 O ATOM 113 NE2 GLN A 8 13.128 7.238 -2.826 1.00 0.77 N ATOM 0 H GLN A 8 13.988 2.972 -3.857 1.00 0.48 H new ATOM 0 HA GLN A 8 12.244 2.400 -1.728 1.00 0.50 H new ATOM 0 HB2 GLN A 8 11.890 3.989 -4.303 1.00 0.58 H new ATOM 0 HB3 GLN A 8 10.659 3.948 -3.057 1.00 0.58 H new ATOM 0 HG2 GLN A 8 12.151 4.921 -1.407 1.00 0.64 H new ATOM 0 HG3 GLN A 8 13.559 4.658 -2.418 1.00 0.64 H new ATOM 0 HE21 GLN A 8 13.912 7.074 -2.195 1.00 0.77 H new ATOM 0 HE22 GLN A 8 13.000 8.156 -3.253 1.00 0.77 H new ATOM 122 N ILE A 9 11.386 0.981 -4.569 1.00 0.38 N ATOM 123 CA ILE A 9 10.465 -0.045 -5.136 1.00 0.35 C ATOM 124 C ILE A 9 10.776 -1.405 -4.500 1.00 0.31 C ATOM 125 O ILE A 9 9.886 -2.173 -4.194 1.00 0.27 O ATOM 126 CB ILE A 9 10.654 -0.126 -6.654 1.00 0.34 C ATOM 127 CG1 ILE A 9 10.207 1.196 -7.285 1.00 0.39 C ATOM 128 CG2 ILE A 9 9.807 -1.272 -7.212 1.00 0.32 C ATOM 129 CD1 ILE A 9 10.610 1.226 -8.762 1.00 0.39 C ATOM 0 H ILE A 9 12.117 1.306 -5.202 1.00 0.38 H new ATOM 0 HA ILE A 9 9.432 0.230 -4.922 1.00 0.35 H new ATOM 0 HB ILE A 9 11.703 -0.307 -6.886 1.00 0.34 H new ATOM 0 HG12 ILE A 9 9.127 1.308 -7.191 1.00 0.39 H new ATOM 0 HG13 ILE A 9 10.662 2.034 -6.757 1.00 0.39 H new ATOM 0 HG21 ILE A 9 9.941 -1.331 -8.292 1.00 0.32 H new ATOM 0 HG22 ILE A 9 10.120 -2.211 -6.756 1.00 0.32 H new ATOM 0 HG23 ILE A 9 8.756 -1.091 -6.986 1.00 0.32 H new ATOM 0 HD11 ILE A 9 10.290 2.168 -9.207 1.00 0.39 H new ATOM 0 HD12 ILE A 9 11.693 1.134 -8.846 1.00 0.39 H new ATOM 0 HD13 ILE A 9 10.134 0.397 -9.286 1.00 0.39 H new ATOM 141 N ALA A 10 12.030 -1.708 -4.299 1.00 0.36 N ATOM 142 CA ALA A 10 12.393 -3.015 -3.683 1.00 0.38 C ATOM 143 C ALA A 10 12.089 -2.986 -2.185 1.00 0.38 C ATOM 144 O ALA A 10 11.934 -4.015 -1.564 1.00 0.61 O ATOM 145 CB ALA A 10 13.885 -3.280 -3.899 1.00 0.53 C ATOM 0 H ALA A 10 12.819 -1.106 -4.535 1.00 0.36 H new ATOM 0 HA ALA A 10 11.809 -3.808 -4.150 1.00 0.38 H new ATOM 0 HB1 ALA A 10 14.154 -4.236 -3.449 1.00 0.53 H new ATOM 0 HB2 ALA A 10 14.098 -3.309 -4.968 1.00 0.53 H new ATOM 0 HB3 ALA A 10 14.467 -2.484 -3.434 1.00 0.53 H new ATOM 151 N GLU A 11 11.993 -1.828 -1.592 1.00 0.45 N ATOM 152 CA GLU A 11 11.689 -1.765 -0.148 1.00 0.39 C ATOM 153 C GLU A 11 10.189 -2.026 0.032 1.00 0.29 C ATOM 154 O GLU A 11 9.785 -2.872 0.803 1.00 0.36 O ATOM 155 CB GLU A 11 12.108 -0.367 0.364 1.00 0.41 C ATOM 156 CG GLU A 11 11.102 0.181 1.369 1.00 1.30 C ATOM 157 CD GLU A 11 11.699 1.393 2.088 1.00 1.08 C ATOM 158 OE1 GLU A 11 12.325 2.203 1.423 1.00 1.65 O ATOM 159 OE2 GLU A 11 11.521 1.491 3.291 1.00 1.12 O ATOM 0 H GLU A 11 12.113 -0.925 -2.052 1.00 0.45 H new ATOM 0 HA GLU A 11 12.233 -2.515 0.426 1.00 0.39 H new ATOM 0 HB2 GLU A 11 13.092 -0.428 0.828 1.00 0.41 H new ATOM 0 HB3 GLU A 11 12.195 0.320 -0.478 1.00 0.41 H new ATOM 0 HG2 GLU A 11 10.182 0.466 0.859 1.00 1.30 H new ATOM 0 HG3 GLU A 11 10.839 -0.590 2.093 1.00 1.30 H new ATOM 166 N PHE A 12 9.361 -1.315 -0.685 1.00 0.17 N ATOM 167 CA PHE A 12 7.897 -1.545 -0.559 1.00 0.10 C ATOM 168 C PHE A 12 7.580 -2.975 -0.990 1.00 0.10 C ATOM 169 O PHE A 12 6.693 -3.609 -0.455 1.00 0.08 O ATOM 170 CB PHE A 12 7.125 -0.577 -1.466 1.00 0.19 C ATOM 171 CG PHE A 12 7.574 0.869 -1.286 1.00 0.20 C ATOM 172 CD1 PHE A 12 7.927 1.378 -0.022 1.00 0.37 C ATOM 173 CD2 PHE A 12 7.604 1.718 -2.404 1.00 0.38 C ATOM 174 CE1 PHE A 12 8.304 2.722 0.112 1.00 0.37 C ATOM 175 CE2 PHE A 12 7.986 3.056 -2.265 1.00 0.40 C ATOM 176 CZ PHE A 12 8.333 3.557 -1.008 1.00 0.24 C ATOM 0 H PHE A 12 9.635 -0.590 -1.348 1.00 0.17 H new ATOM 0 HA PHE A 12 7.601 -1.381 0.477 1.00 0.10 H new ATOM 0 HB2 PHE A 12 7.262 -0.871 -2.507 1.00 0.19 H new ATOM 0 HB3 PHE A 12 6.059 -0.653 -1.251 1.00 0.19 H new ATOM 0 HD1 PHE A 12 7.907 0.734 0.844 1.00 0.37 H new ATOM 0 HD2 PHE A 12 7.331 1.336 -3.376 1.00 0.38 H new ATOM 0 HE1 PHE A 12 8.572 3.112 1.083 1.00 0.37 H new ATOM 0 HE2 PHE A 12 8.013 3.702 -3.130 1.00 0.40 H new ATOM 0 HZ PHE A 12 8.624 4.592 -0.902 1.00 0.24 H new ATOM 186 N LYS A 13 8.294 -3.499 -1.951 1.00 0.21 N ATOM 187 CA LYS A 13 8.011 -4.889 -2.391 1.00 0.21 C ATOM 188 C LYS A 13 8.158 -5.823 -1.194 1.00 0.20 C ATOM 189 O LYS A 13 7.294 -6.630 -0.913 1.00 0.22 O ATOM 190 CB LYS A 13 8.987 -5.300 -3.497 1.00 0.22 C ATOM 191 CG LYS A 13 8.746 -6.776 -3.894 1.00 0.19 C ATOM 192 CD LYS A 13 9.056 -6.987 -5.386 1.00 0.17 C ATOM 193 CE LYS A 13 7.838 -6.593 -6.235 1.00 0.19 C ATOM 194 NZ LYS A 13 8.270 -6.351 -7.640 1.00 0.86 N ATOM 0 H LYS A 13 9.053 -3.028 -2.444 1.00 0.21 H new ATOM 0 HA LYS A 13 6.996 -4.950 -2.785 1.00 0.21 H new ATOM 0 HB2 LYS A 13 8.857 -4.655 -4.366 1.00 0.22 H new ATOM 0 HB3 LYS A 13 10.014 -5.170 -3.154 1.00 0.22 H new ATOM 0 HG2 LYS A 13 9.375 -7.429 -3.289 1.00 0.19 H new ATOM 0 HG3 LYS A 13 7.711 -7.050 -3.689 1.00 0.19 H new ATOM 0 HD2 LYS A 13 9.920 -6.389 -5.675 1.00 0.17 H new ATOM 0 HD3 LYS A 13 9.315 -8.030 -5.568 1.00 0.17 H new ATOM 0 HE2 LYS A 13 7.089 -7.384 -6.205 1.00 0.19 H new ATOM 0 HE3 LYS A 13 7.371 -5.696 -5.827 1.00 0.19 H new ATOM 0 HZ1 LYS A 13 7.446 -6.084 -8.216 1.00 0.86 H new ATOM 0 HZ2 LYS A 13 8.970 -5.582 -7.660 1.00 0.86 H new ATOM 0 HZ3 LYS A 13 8.696 -7.217 -8.026 1.00 0.86 H new ATOM 208 N GLU A 14 9.240 -5.714 -0.471 1.00 0.22 N ATOM 209 CA GLU A 14 9.415 -6.594 0.722 1.00 0.19 C ATOM 210 C GLU A 14 8.238 -6.381 1.660 1.00 0.19 C ATOM 211 O GLU A 14 7.521 -7.297 2.010 1.00 0.33 O ATOM 212 CB GLU A 14 10.700 -6.218 1.463 1.00 0.22 C ATOM 213 CG GLU A 14 11.903 -6.360 0.529 1.00 0.23 C ATOM 214 CD GLU A 14 12.353 -7.823 0.466 1.00 1.26 C ATOM 215 OE1 GLU A 14 12.318 -8.478 1.495 1.00 1.71 O ATOM 216 OE2 GLU A 14 12.729 -8.260 -0.609 1.00 2.09 O ATOM 0 H GLU A 14 10.003 -5.062 -0.651 1.00 0.22 H new ATOM 0 HA GLU A 14 9.470 -7.634 0.400 1.00 0.19 H new ATOM 0 HB2 GLU A 14 10.632 -5.193 1.829 1.00 0.22 H new ATOM 0 HB3 GLU A 14 10.828 -6.860 2.335 1.00 0.22 H new ATOM 0 HG2 GLU A 14 11.641 -6.009 -0.469 1.00 0.23 H new ATOM 0 HG3 GLU A 14 12.723 -5.734 0.882 1.00 0.23 H new ATOM 223 N ALA A 15 8.045 -5.165 2.069 1.00 0.07 N ATOM 224 CA ALA A 15 6.920 -4.854 2.997 1.00 0.06 C ATOM 225 C ALA A 15 5.604 -5.368 2.405 1.00 0.05 C ATOM 226 O ALA A 15 4.700 -5.754 3.120 1.00 0.09 O ATOM 227 CB ALA A 15 6.834 -3.341 3.204 1.00 0.08 C ATOM 0 H ALA A 15 8.619 -4.365 1.802 1.00 0.07 H new ATOM 0 HA ALA A 15 7.097 -5.342 3.955 1.00 0.06 H new ATOM 0 HB1 ALA A 15 6.012 -3.113 3.882 1.00 0.08 H new ATOM 0 HB2 ALA A 15 7.769 -2.979 3.632 1.00 0.08 H new ATOM 0 HB3 ALA A 15 6.660 -2.852 2.246 1.00 0.08 H new ATOM 233 N PHE A 16 5.488 -5.369 1.107 1.00 0.02 N ATOM 234 CA PHE A 16 4.227 -5.847 0.468 1.00 0.04 C ATOM 235 C PHE A 16 4.152 -7.377 0.525 1.00 0.03 C ATOM 236 O PHE A 16 3.094 -7.948 0.708 1.00 0.09 O ATOM 237 CB PHE A 16 4.203 -5.393 -0.992 1.00 0.07 C ATOM 238 CG PHE A 16 2.822 -5.595 -1.565 1.00 0.11 C ATOM 239 CD1 PHE A 16 1.865 -4.579 -1.460 1.00 0.14 C ATOM 240 CD2 PHE A 16 2.503 -6.793 -2.215 1.00 0.11 C ATOM 241 CE1 PHE A 16 0.586 -4.762 -2.004 1.00 0.18 C ATOM 242 CE2 PHE A 16 1.228 -6.975 -2.761 1.00 0.15 C ATOM 243 CZ PHE A 16 0.272 -5.959 -2.655 1.00 0.19 C ATOM 0 H PHE A 16 6.212 -5.059 0.459 1.00 0.02 H new ATOM 0 HA PHE A 16 3.374 -5.430 1.003 1.00 0.04 H new ATOM 0 HB2 PHE A 16 4.486 -4.343 -1.061 1.00 0.07 H new ATOM 0 HB3 PHE A 16 4.934 -5.958 -1.571 1.00 0.07 H new ATOM 0 HD1 PHE A 16 2.112 -3.654 -0.960 1.00 0.14 H new ATOM 0 HD2 PHE A 16 3.241 -7.577 -2.295 1.00 0.11 H new ATOM 0 HE1 PHE A 16 -0.155 -3.981 -1.921 1.00 0.18 H new ATOM 0 HE2 PHE A 16 0.982 -7.899 -3.264 1.00 0.15 H new ATOM 0 HZ PHE A 16 -0.712 -6.100 -3.077 1.00 0.19 H new ATOM 253 N SER A 17 5.258 -8.045 0.360 1.00 0.09 N ATOM 254 CA SER A 17 5.247 -9.538 0.392 1.00 0.10 C ATOM 255 C SER A 17 4.990 -10.034 1.821 1.00 0.08 C ATOM 256 O SER A 17 4.411 -11.083 2.025 1.00 0.08 O ATOM 257 CB SER A 17 6.601 -10.060 -0.096 1.00 0.16 C ATOM 258 OG SER A 17 7.637 -9.247 0.439 1.00 0.89 O ATOM 0 H SER A 17 6.173 -7.623 0.204 1.00 0.09 H new ATOM 0 HA SER A 17 4.452 -9.906 -0.257 1.00 0.10 H new ATOM 0 HB2 SER A 17 6.738 -11.096 0.215 1.00 0.16 H new ATOM 0 HB3 SER A 17 6.638 -10.047 -1.185 1.00 0.16 H new ATOM 0 HG SER A 17 7.340 -8.854 1.286 1.00 0.89 H new ATOM 264 N LEU A 18 5.425 -9.301 2.807 1.00 0.11 N ATOM 265 CA LEU A 18 5.215 -9.745 4.216 1.00 0.11 C ATOM 266 C LEU A 18 3.744 -10.105 4.443 1.00 0.09 C ATOM 267 O LEU A 18 3.426 -10.882 5.322 1.00 0.13 O ATOM 268 CB LEU A 18 5.609 -8.609 5.179 1.00 0.13 C ATOM 269 CG LEU A 18 7.133 -8.584 5.405 1.00 0.08 C ATOM 270 CD1 LEU A 18 7.502 -7.355 6.254 1.00 0.13 C ATOM 271 CD2 LEU A 18 7.593 -9.870 6.132 1.00 0.16 C ATOM 0 H LEU A 18 5.917 -8.414 2.700 1.00 0.11 H new ATOM 0 HA LEU A 18 5.834 -10.622 4.403 1.00 0.11 H new ATOM 0 HB2 LEU A 18 5.282 -7.652 4.772 1.00 0.13 H new ATOM 0 HB3 LEU A 18 5.098 -8.741 6.133 1.00 0.13 H new ATOM 0 HG LEU A 18 7.633 -8.530 4.438 1.00 0.08 H new ATOM 0 HD11 LEU A 18 8.580 -7.335 6.416 1.00 0.13 H new ATOM 0 HD12 LEU A 18 7.196 -6.448 5.733 1.00 0.13 H new ATOM 0 HD13 LEU A 18 6.992 -7.411 7.216 1.00 0.13 H new ATOM 0 HD21 LEU A 18 8.672 -9.836 6.284 1.00 0.16 H new ATOM 0 HD22 LEU A 18 7.093 -9.941 7.098 1.00 0.16 H new ATOM 0 HD23 LEU A 18 7.339 -10.741 5.527 1.00 0.16 H new ATOM 283 N PHE A 19 2.843 -9.530 3.685 1.00 0.08 N ATOM 284 CA PHE A 19 1.383 -9.814 3.880 1.00 0.05 C ATOM 285 C PHE A 19 0.780 -10.450 2.625 1.00 0.04 C ATOM 286 O PHE A 19 -0.419 -10.457 2.439 1.00 0.06 O ATOM 287 CB PHE A 19 0.686 -8.499 4.206 1.00 0.04 C ATOM 288 CG PHE A 19 1.346 -7.919 5.429 1.00 0.05 C ATOM 289 CD1 PHE A 19 2.543 -7.203 5.303 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.775 -8.116 6.690 1.00 0.05 C ATOM 291 CE1 PHE A 19 3.168 -6.682 6.441 1.00 0.08 C ATOM 292 CE2 PHE A 19 1.399 -7.594 7.827 1.00 0.06 C ATOM 293 CZ PHE A 19 2.596 -6.875 7.704 1.00 0.08 C ATOM 0 H PHE A 19 3.055 -8.872 2.935 1.00 0.08 H new ATOM 0 HA PHE A 19 1.248 -10.522 4.698 1.00 0.05 H new ATOM 0 HB2 PHE A 19 0.762 -7.808 3.367 1.00 0.04 H new ATOM 0 HB3 PHE A 19 -0.376 -8.664 4.387 1.00 0.04 H new ATOM 0 HD1 PHE A 19 2.983 -7.053 4.328 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.147 -8.671 6.786 1.00 0.05 H new ATOM 0 HE1 PHE A 19 4.092 -6.131 6.345 1.00 0.08 H new ATOM 0 HE2 PHE A 19 0.958 -7.745 8.801 1.00 0.06 H new ATOM 0 HZ PHE A 19 3.076 -6.470 8.583 1.00 0.08 H new ATOM 303 N ASP A 20 1.603 -11.015 1.780 1.00 0.05 N ATOM 304 CA ASP A 20 1.085 -11.692 0.552 1.00 0.06 C ATOM 305 C ASP A 20 1.053 -13.200 0.827 1.00 0.11 C ATOM 306 O ASP A 20 1.843 -13.957 0.300 1.00 0.15 O ATOM 307 CB ASP A 20 2.022 -11.408 -0.625 1.00 0.06 C ATOM 308 CG ASP A 20 1.505 -12.121 -1.875 1.00 0.06 C ATOM 309 OD1 ASP A 20 0.299 -12.173 -2.046 1.00 1.05 O ATOM 310 OD2 ASP A 20 2.324 -12.604 -2.639 1.00 1.13 O ATOM 0 H ASP A 20 2.617 -11.037 1.888 1.00 0.05 H new ATOM 0 HA ASP A 20 0.089 -11.325 0.305 1.00 0.06 H new ATOM 0 HB2 ASP A 20 2.082 -10.335 -0.805 1.00 0.06 H new ATOM 0 HB3 ASP A 20 3.031 -11.749 -0.391 1.00 0.06 H new ATOM 315 N LYS A 21 0.165 -13.632 1.683 1.00 0.11 N ATOM 316 CA LYS A 21 0.095 -15.079 2.041 1.00 0.17 C ATOM 317 C LYS A 21 -0.619 -15.880 0.957 1.00 0.18 C ATOM 318 O LYS A 21 -0.797 -17.076 1.068 1.00 0.21 O ATOM 319 CB LYS A 21 -0.677 -15.232 3.352 1.00 0.23 C ATOM 320 CG LYS A 21 -0.038 -14.370 4.452 1.00 0.20 C ATOM 321 CD LYS A 21 1.182 -15.084 5.044 1.00 0.30 C ATOM 322 CE LYS A 21 1.702 -14.285 6.243 1.00 0.45 C ATOM 323 NZ LYS A 21 0.611 -14.124 7.246 1.00 1.35 N ATOM 0 H LYS A 21 -0.520 -13.040 2.153 1.00 0.11 H new ATOM 0 HA LYS A 21 1.112 -15.457 2.143 1.00 0.17 H new ATOM 0 HB2 LYS A 21 -1.716 -14.936 3.207 1.00 0.23 H new ATOM 0 HB3 LYS A 21 -0.683 -16.278 3.658 1.00 0.23 H new ATOM 0 HG2 LYS A 21 0.260 -13.406 4.041 1.00 0.20 H new ATOM 0 HG3 LYS A 21 -0.767 -14.170 5.237 1.00 0.20 H new ATOM 0 HD2 LYS A 21 0.912 -16.093 5.354 1.00 0.30 H new ATOM 0 HD3 LYS A 21 1.963 -15.180 4.290 1.00 0.30 H new ATOM 0 HE2 LYS A 21 2.552 -14.798 6.694 1.00 0.45 H new ATOM 0 HE3 LYS A 21 2.056 -13.308 5.916 1.00 0.45 H new ATOM 0 HZ1 LYS A 21 1.025 -13.964 8.187 1.00 1.35 H new ATOM 0 HZ2 LYS A 21 0.018 -13.310 6.986 1.00 1.35 H new ATOM 0 HZ3 LYS A 21 0.028 -14.985 7.266 1.00 1.35 H new ATOM 337 N ASP A 22 -1.030 -15.231 -0.086 1.00 0.16 N ATOM 338 CA ASP A 22 -1.748 -15.940 -1.192 1.00 0.20 C ATOM 339 C ASP A 22 -0.773 -16.220 -2.340 1.00 0.19 C ATOM 340 O ASP A 22 -1.154 -16.723 -3.379 1.00 0.20 O ATOM 341 CB ASP A 22 -2.886 -15.054 -1.704 1.00 0.22 C ATOM 342 CG ASP A 22 -3.815 -14.696 -0.543 1.00 0.24 C ATOM 343 OD1 ASP A 22 -4.698 -15.486 -0.251 1.00 0.88 O ATOM 344 OD2 ASP A 22 -3.627 -13.639 0.035 1.00 1.10 O ATOM 0 H ASP A 22 -0.902 -14.229 -0.230 1.00 0.16 H new ATOM 0 HA ASP A 22 -2.151 -16.881 -0.818 1.00 0.20 H new ATOM 0 HB2 ASP A 22 -2.481 -14.147 -2.153 1.00 0.22 H new ATOM 0 HB3 ASP A 22 -3.444 -15.574 -2.483 1.00 0.22 H new ATOM 349 N GLY A 23 0.481 -15.907 -2.162 1.00 0.17 N ATOM 350 CA GLY A 23 1.473 -16.162 -3.245 1.00 0.17 C ATOM 351 C GLY A 23 0.944 -15.586 -4.556 1.00 0.16 C ATOM 352 O GLY A 23 1.414 -15.912 -5.627 1.00 0.13 O ATOM 0 H GLY A 23 0.862 -15.486 -1.314 1.00 0.17 H new ATOM 0 HA2 GLY A 23 2.430 -15.705 -2.993 1.00 0.17 H new ATOM 0 HA3 GLY A 23 1.649 -17.233 -3.349 1.00 0.17 H new ATOM 356 N ASP A 24 -0.038 -14.726 -4.473 1.00 0.18 N ATOM 357 CA ASP A 24 -0.619 -14.114 -5.708 1.00 0.17 C ATOM 358 C ASP A 24 -0.040 -12.711 -5.903 1.00 0.19 C ATOM 359 O ASP A 24 -0.371 -12.019 -6.845 1.00 0.20 O ATOM 360 CB ASP A 24 -2.142 -14.022 -5.557 1.00 0.20 C ATOM 361 CG ASP A 24 -2.786 -13.796 -6.929 1.00 0.28 C ATOM 362 OD1 ASP A 24 -2.102 -13.298 -7.808 1.00 0.96 O ATOM 363 OD2 ASP A 24 -3.951 -14.127 -7.076 1.00 1.39 O ATOM 0 H ASP A 24 -0.465 -14.419 -3.599 1.00 0.18 H new ATOM 0 HA ASP A 24 -0.373 -14.730 -6.573 1.00 0.17 H new ATOM 0 HB2 ASP A 24 -2.528 -14.938 -5.110 1.00 0.20 H new ATOM 0 HB3 ASP A 24 -2.401 -13.205 -4.884 1.00 0.20 H new ATOM 368 N GLY A 25 0.825 -12.283 -5.024 1.00 0.20 N ATOM 369 CA GLY A 25 1.419 -10.925 -5.176 1.00 0.22 C ATOM 370 C GLY A 25 0.363 -9.864 -4.838 1.00 0.23 C ATOM 371 O GLY A 25 0.380 -8.778 -5.386 1.00 0.23 O ATOM 0 H GLY A 25 1.144 -12.811 -4.212 1.00 0.20 H new ATOM 0 HA2 GLY A 25 2.281 -10.818 -4.518 1.00 0.22 H new ATOM 0 HA3 GLY A 25 1.777 -10.785 -6.196 1.00 0.22 H new ATOM 375 N THR A 26 -0.561 -10.156 -3.944 1.00 0.23 N ATOM 376 CA THR A 26 -1.612 -9.152 -3.585 1.00 0.24 C ATOM 377 C THR A 26 -1.876 -9.188 -2.079 1.00 0.22 C ATOM 378 O THR A 26 -1.461 -10.095 -1.384 1.00 0.22 O ATOM 379 CB THR A 26 -2.911 -9.471 -4.325 1.00 0.27 C ATOM 380 OG1 THR A 26 -3.439 -10.699 -3.845 1.00 0.29 O ATOM 381 CG2 THR A 26 -2.637 -9.581 -5.824 1.00 0.30 C ATOM 0 H THR A 26 -0.629 -11.046 -3.451 1.00 0.23 H new ATOM 0 HA THR A 26 -1.260 -8.161 -3.871 1.00 0.24 H new ATOM 0 HB THR A 26 -3.632 -8.672 -4.150 1.00 0.27 H new ATOM 0 HG1 THR A 26 -4.273 -10.904 -4.318 1.00 0.29 H new ATOM 0 HG21 THR A 26 -3.565 -9.808 -6.348 1.00 0.30 H new ATOM 0 HG22 THR A 26 -2.235 -8.636 -6.191 1.00 0.30 H new ATOM 0 HG23 THR A 26 -1.914 -10.377 -6.004 1.00 0.30 H new ATOM 389 N ILE A 27 -2.575 -8.203 -1.572 1.00 0.22 N ATOM 390 CA ILE A 27 -2.890 -8.161 -0.111 1.00 0.20 C ATOM 391 C ILE A 27 -4.325 -7.664 0.067 1.00 0.22 C ATOM 392 O ILE A 27 -4.918 -7.127 -0.848 1.00 0.24 O ATOM 393 CB ILE A 27 -1.920 -7.209 0.602 1.00 0.17 C ATOM 394 CG1 ILE A 27 -2.044 -5.794 0.012 1.00 0.19 C ATOM 395 CG2 ILE A 27 -0.484 -7.716 0.420 1.00 0.14 C ATOM 396 CD1 ILE A 27 -1.127 -4.836 0.775 1.00 0.19 C ATOM 0 H ILE A 27 -2.944 -7.420 -2.112 1.00 0.22 H new ATOM 0 HA ILE A 27 -2.786 -9.157 0.319 1.00 0.20 H new ATOM 0 HB ILE A 27 -2.166 -7.175 1.663 1.00 0.17 H new ATOM 0 HG12 ILE A 27 -1.776 -5.805 -1.045 1.00 0.19 H new ATOM 0 HG13 ILE A 27 -3.077 -5.452 0.075 1.00 0.19 H new ATOM 0 HG21 ILE A 27 0.207 -7.041 0.926 1.00 0.14 H new ATOM 0 HG22 ILE A 27 -0.394 -8.715 0.847 1.00 0.14 H new ATOM 0 HG23 ILE A 27 -0.243 -7.753 -0.642 1.00 0.14 H new ATOM 0 HD11 ILE A 27 -1.217 -3.834 0.355 1.00 0.19 H new ATOM 0 HD12 ILE A 27 -1.415 -4.816 1.826 1.00 0.19 H new ATOM 0 HD13 ILE A 27 -0.094 -5.174 0.689 1.00 0.19 H new ATOM 408 N THR A 28 -4.894 -7.826 1.230 1.00 0.22 N ATOM 409 CA THR A 28 -6.289 -7.349 1.445 1.00 0.23 C ATOM 410 C THR A 28 -6.273 -5.897 1.916 1.00 0.18 C ATOM 411 O THR A 28 -5.253 -5.371 2.316 1.00 0.13 O ATOM 412 CB THR A 28 -6.973 -8.194 2.513 1.00 0.26 C ATOM 413 OG1 THR A 28 -6.659 -7.673 3.799 1.00 0.22 O ATOM 414 CG2 THR A 28 -6.491 -9.639 2.416 1.00 0.30 C ATOM 0 H THR A 28 -4.455 -8.267 2.038 1.00 0.22 H new ATOM 0 HA THR A 28 -6.831 -7.432 0.503 1.00 0.23 H new ATOM 0 HB THR A 28 -8.052 -8.166 2.360 1.00 0.26 H new ATOM 0 HG1 THR A 28 -6.963 -8.299 4.489 1.00 0.22 H new ATOM 0 HG21 THR A 28 -6.983 -10.239 3.182 1.00 0.30 H new ATOM 0 HG22 THR A 28 -6.733 -10.038 1.431 1.00 0.30 H new ATOM 0 HG23 THR A 28 -5.412 -9.673 2.566 1.00 0.30 H new ATOM 422 N THR A 29 -7.404 -5.252 1.887 1.00 0.19 N ATOM 423 CA THR A 29 -7.469 -3.842 2.348 1.00 0.14 C ATOM 424 C THR A 29 -7.271 -3.803 3.867 1.00 0.10 C ATOM 425 O THR A 29 -6.810 -2.823 4.419 1.00 0.11 O ATOM 426 CB THR A 29 -8.847 -3.270 1.995 1.00 0.15 C ATOM 427 OG1 THR A 29 -9.833 -4.275 2.189 1.00 0.15 O ATOM 428 CG2 THR A 29 -8.868 -2.815 0.531 1.00 0.13 C ATOM 0 H THR A 29 -8.288 -5.643 1.563 1.00 0.19 H new ATOM 0 HA THR A 29 -6.691 -3.251 1.865 1.00 0.14 H new ATOM 0 HB THR A 29 -9.056 -2.414 2.637 1.00 0.15 H new ATOM 0 HG1 THR A 29 -10.716 -3.914 1.966 1.00 0.15 H new ATOM 0 HG21 THR A 29 -9.851 -2.410 0.290 1.00 0.13 H new ATOM 0 HG22 THR A 29 -8.111 -2.046 0.378 1.00 0.13 H new ATOM 0 HG23 THR A 29 -8.657 -3.665 -0.117 1.00 0.13 H new ATOM 436 N LYS A 30 -7.629 -4.857 4.546 1.00 0.13 N ATOM 437 CA LYS A 30 -7.477 -4.878 6.027 1.00 0.15 C ATOM 438 C LYS A 30 -5.996 -4.864 6.409 1.00 0.12 C ATOM 439 O LYS A 30 -5.636 -4.450 7.492 1.00 0.13 O ATOM 440 CB LYS A 30 -8.146 -6.139 6.590 1.00 0.23 C ATOM 441 CG LYS A 30 -9.657 -6.119 6.286 1.00 0.20 C ATOM 442 CD LYS A 30 -10.417 -5.333 7.374 1.00 1.95 C ATOM 443 CE LYS A 30 -10.745 -6.248 8.563 1.00 2.14 C ATOM 444 NZ LYS A 30 -11.983 -7.020 8.267 1.00 1.25 N ATOM 0 H LYS A 30 -8.021 -5.706 4.138 1.00 0.13 H new ATOM 0 HA LYS A 30 -7.954 -3.992 6.446 1.00 0.15 H new ATOM 0 HB2 LYS A 30 -7.691 -7.028 6.152 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.985 -6.196 7.666 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -9.832 -5.664 5.311 1.00 0.20 H new ATOM 0 HG3 LYS A 30 -10.037 -7.139 6.234 1.00 0.20 H new ATOM 0 HD2 LYS A 30 -9.814 -4.490 7.711 1.00 1.95 H new ATOM 0 HD3 LYS A 30 -11.337 -4.921 6.959 1.00 1.95 H new ATOM 0 HE2 LYS A 30 -9.915 -6.929 8.752 1.00 2.14 H new ATOM 0 HE3 LYS A 30 -10.881 -5.654 9.467 1.00 2.14 H new ATOM 0 HZ1 LYS A 30 -12.206 -7.640 9.072 1.00 1.25 H new ATOM 0 HZ2 LYS A 30 -12.773 -6.362 8.107 1.00 1.25 H new ATOM 0 HZ3 LYS A 30 -11.836 -7.598 7.415 1.00 1.25 H new ATOM 458 N GLU A 31 -5.134 -5.311 5.533 1.00 0.10 N ATOM 459 CA GLU A 31 -3.668 -5.318 5.857 1.00 0.09 C ATOM 460 C GLU A 31 -2.988 -4.113 5.206 1.00 0.06 C ATOM 461 O GLU A 31 -1.779 -4.012 5.184 1.00 0.05 O ATOM 462 CB GLU A 31 -3.020 -6.598 5.320 1.00 0.09 C ATOM 463 CG GLU A 31 -3.785 -7.824 5.822 1.00 0.08 C ATOM 464 CD GLU A 31 -3.296 -9.066 5.076 1.00 0.10 C ATOM 465 OE1 GLU A 31 -3.463 -9.112 3.868 1.00 0.19 O ATOM 466 OE2 GLU A 31 -2.759 -9.950 5.725 1.00 0.24 O ATOM 0 H GLU A 31 -5.376 -5.671 4.610 1.00 0.10 H new ATOM 0 HA GLU A 31 -3.549 -5.271 6.940 1.00 0.09 H new ATOM 0 HB2 GLU A 31 -3.016 -6.583 4.230 1.00 0.09 H new ATOM 0 HB3 GLU A 31 -1.980 -6.651 5.642 1.00 0.09 H new ATOM 0 HG2 GLU A 31 -3.634 -7.947 6.894 1.00 0.08 H new ATOM 0 HG3 GLU A 31 -4.855 -7.689 5.664 1.00 0.08 H new ATOM 473 N LEU A 32 -3.749 -3.200 4.671 1.00 0.06 N ATOM 474 CA LEU A 32 -3.128 -2.013 4.023 1.00 0.04 C ATOM 475 C LEU A 32 -2.464 -1.134 5.086 1.00 0.03 C ATOM 476 O LEU A 32 -1.318 -0.753 4.962 1.00 0.02 O ATOM 477 CB LEU A 32 -4.207 -1.213 3.283 1.00 0.05 C ATOM 478 CG LEU A 32 -3.634 0.118 2.773 1.00 0.06 C ATOM 479 CD1 LEU A 32 -2.342 -0.131 1.985 1.00 0.08 C ATOM 480 CD2 LEU A 32 -4.666 0.794 1.863 1.00 0.06 C ATOM 0 H LEU A 32 -4.769 -3.224 4.654 1.00 0.06 H new ATOM 0 HA LEU A 32 -2.371 -2.341 3.310 1.00 0.04 H new ATOM 0 HB2 LEU A 32 -4.590 -1.796 2.445 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -5.048 -1.022 3.950 1.00 0.05 H new ATOM 0 HG LEU A 32 -3.411 0.762 3.623 1.00 0.06 H new ATOM 0 HD11 LEU A 32 -1.945 0.819 1.628 1.00 0.08 H new ATOM 0 HD12 LEU A 32 -1.608 -0.611 2.632 1.00 0.08 H new ATOM 0 HD13 LEU A 32 -2.554 -0.778 1.134 1.00 0.08 H new ATOM 0 HD21 LEU A 32 -4.265 1.739 1.498 1.00 0.06 H new ATOM 0 HD22 LEU A 32 -4.887 0.143 1.017 1.00 0.06 H new ATOM 0 HD23 LEU A 32 -5.580 0.981 2.426 1.00 0.06 H new ATOM 492 N GLY A 33 -3.170 -0.809 6.135 1.00 0.05 N ATOM 493 CA GLY A 33 -2.568 0.045 7.194 1.00 0.06 C ATOM 494 C GLY A 33 -1.416 -0.705 7.858 1.00 0.07 C ATOM 495 O GLY A 33 -0.529 -0.110 8.436 1.00 0.06 O ATOM 0 H GLY A 33 -4.134 -1.097 6.303 1.00 0.05 H new ATOM 0 HA2 GLY A 33 -2.207 0.979 6.762 1.00 0.06 H new ATOM 0 HA3 GLY A 33 -3.321 0.307 7.937 1.00 0.06 H new ATOM 499 N THR A 34 -1.418 -2.009 7.787 1.00 0.10 N ATOM 500 CA THR A 34 -0.318 -2.784 8.424 1.00 0.10 C ATOM 501 C THR A 34 0.954 -2.659 7.581 1.00 0.10 C ATOM 502 O THR A 34 2.036 -2.479 8.103 1.00 0.11 O ATOM 503 CB THR A 34 -0.727 -4.255 8.538 1.00 0.10 C ATOM 504 OG1 THR A 34 -2.071 -4.333 8.993 1.00 0.13 O ATOM 505 CG2 THR A 34 0.190 -4.976 9.529 1.00 0.14 C ATOM 0 H THR A 34 -2.131 -2.568 7.318 1.00 0.10 H new ATOM 0 HA THR A 34 -0.125 -2.388 9.421 1.00 0.10 H new ATOM 0 HB THR A 34 -0.640 -4.731 7.561 1.00 0.10 H new ATOM 0 HG1 THR A 34 -2.338 -5.273 9.066 1.00 0.13 H new ATOM 0 HG21 THR A 34 -0.107 -6.022 9.605 1.00 0.14 H new ATOM 0 HG22 THR A 34 1.221 -4.916 9.181 1.00 0.14 H new ATOM 0 HG23 THR A 34 0.110 -4.504 10.508 1.00 0.14 H new ATOM 513 N VAL A 35 0.838 -2.741 6.285 1.00 0.09 N ATOM 514 CA VAL A 35 2.045 -2.612 5.424 1.00 0.10 C ATOM 515 C VAL A 35 2.596 -1.194 5.570 1.00 0.12 C ATOM 516 O VAL A 35 3.770 -0.992 5.825 1.00 0.11 O ATOM 517 CB VAL A 35 1.669 -2.868 3.964 1.00 0.09 C ATOM 518 CG1 VAL A 35 2.900 -2.682 3.076 1.00 0.14 C ATOM 519 CG2 VAL A 35 1.155 -4.300 3.815 1.00 0.05 C ATOM 0 H VAL A 35 -0.039 -2.891 5.786 1.00 0.09 H new ATOM 0 HA VAL A 35 2.797 -3.340 5.727 1.00 0.10 H new ATOM 0 HB VAL A 35 0.893 -2.164 3.664 1.00 0.09 H new ATOM 0 HG11 VAL A 35 2.629 -2.865 2.036 1.00 0.14 H new ATOM 0 HG12 VAL A 35 3.273 -1.663 3.180 1.00 0.14 H new ATOM 0 HG13 VAL A 35 3.676 -3.385 3.378 1.00 0.14 H new ATOM 0 HG21 VAL A 35 0.887 -4.484 2.775 1.00 0.05 H new ATOM 0 HG22 VAL A 35 1.934 -5.000 4.118 1.00 0.05 H new ATOM 0 HG23 VAL A 35 0.277 -4.439 4.446 1.00 0.05 H new ATOM 529 N MET A 36 1.753 -0.209 5.432 1.00 0.14 N ATOM 530 CA MET A 36 2.222 1.193 5.578 1.00 0.16 C ATOM 531 C MET A 36 2.861 1.353 6.960 1.00 0.16 C ATOM 532 O MET A 36 3.843 2.051 7.128 1.00 0.18 O ATOM 533 CB MET A 36 1.023 2.142 5.453 1.00 0.17 C ATOM 534 CG MET A 36 0.618 2.299 3.975 1.00 0.19 C ATOM 535 SD MET A 36 1.479 3.720 3.255 1.00 0.86 S ATOM 536 CE MET A 36 0.229 4.148 2.019 1.00 0.22 C ATOM 0 H MET A 36 0.760 -0.316 5.224 1.00 0.14 H new ATOM 0 HA MET A 36 2.951 1.430 4.803 1.00 0.16 H new ATOM 0 HB2 MET A 36 0.182 1.755 6.028 1.00 0.17 H new ATOM 0 HB3 MET A 36 1.275 3.115 5.873 1.00 0.17 H new ATOM 0 HG2 MET A 36 0.865 1.393 3.422 1.00 0.19 H new ATOM 0 HG3 MET A 36 -0.460 2.436 3.896 1.00 0.19 H new ATOM 0 HE1 MET A 36 0.054 5.224 2.035 1.00 0.22 H new ATOM 0 HE2 MET A 36 0.579 3.852 1.030 1.00 0.22 H new ATOM 0 HE3 MET A 36 -0.701 3.626 2.246 1.00 0.22 H new ATOM 546 N ARG A 37 2.310 0.704 7.954 1.00 0.13 N ATOM 547 CA ARG A 37 2.881 0.807 9.328 1.00 0.12 C ATOM 548 C ARG A 37 4.304 0.244 9.328 1.00 0.14 C ATOM 549 O ARG A 37 5.181 0.747 9.999 1.00 0.22 O ATOM 550 CB ARG A 37 2.001 0.010 10.305 1.00 0.16 C ATOM 551 CG ARG A 37 0.764 0.839 10.706 1.00 0.17 C ATOM 552 CD ARG A 37 1.092 1.731 11.910 1.00 1.10 C ATOM 553 NE ARG A 37 1.038 0.921 13.157 1.00 1.05 N ATOM 554 CZ ARG A 37 1.557 1.386 14.261 1.00 2.25 C ATOM 555 NH1 ARG A 37 2.130 2.557 14.269 1.00 3.53 N ATOM 556 NH2 ARG A 37 1.501 0.680 15.356 1.00 2.25 N ATOM 0 H ARG A 37 1.488 0.106 7.872 1.00 0.13 H new ATOM 0 HA ARG A 37 2.909 1.851 9.640 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.686 -0.925 9.842 1.00 0.16 H new ATOM 0 HB3 ARG A 37 2.576 -0.251 11.193 1.00 0.16 H new ATOM 0 HG2 ARG A 37 0.441 1.454 9.866 1.00 0.17 H new ATOM 0 HG3 ARG A 37 -0.064 0.174 10.951 1.00 0.17 H new ATOM 0 HD2 ARG A 37 2.083 2.170 11.792 1.00 1.10 H new ATOM 0 HD3 ARG A 37 0.382 2.556 11.969 1.00 1.10 H new ATOM 0 HE ARG A 37 0.595 0.002 13.149 1.00 1.05 H new ATOM 0 HH11 ARG A 37 2.173 3.110 13.413 1.00 3.53 H new ATOM 0 HH12 ARG A 37 2.536 2.920 15.131 1.00 3.53 H new ATOM 0 HH21 ARG A 37 1.052 -0.236 15.350 1.00 2.25 H new ATOM 0 HH22 ARG A 37 1.907 1.043 16.218 1.00 2.25 H new ATOM 570 N SER A 38 4.536 -0.795 8.578 1.00 0.09 N ATOM 571 CA SER A 38 5.903 -1.387 8.534 1.00 0.10 C ATOM 572 C SER A 38 6.891 -0.334 8.025 1.00 0.11 C ATOM 573 O SER A 38 8.050 -0.328 8.390 1.00 0.15 O ATOM 574 CB SER A 38 5.905 -2.590 7.591 1.00 0.11 C ATOM 575 OG SER A 38 5.975 -2.134 6.247 1.00 0.11 O ATOM 0 H SER A 38 3.841 -1.260 7.994 1.00 0.09 H new ATOM 0 HA SER A 38 6.197 -1.710 9.533 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.753 -3.238 7.812 1.00 0.11 H new ATOM 0 HB3 SER A 38 5.003 -3.184 7.739 1.00 0.11 H new ATOM 0 HG SER A 38 5.068 -2.017 5.894 1.00 0.11 H new ATOM 581 N LEU A 39 6.439 0.556 7.184 1.00 0.08 N ATOM 582 CA LEU A 39 7.348 1.610 6.647 1.00 0.11 C ATOM 583 C LEU A 39 7.454 2.760 7.651 1.00 0.12 C ATOM 584 O LEU A 39 8.121 3.747 7.411 1.00 0.17 O ATOM 585 CB LEU A 39 6.787 2.138 5.324 1.00 0.11 C ATOM 586 CG LEU A 39 6.316 0.961 4.470 1.00 0.21 C ATOM 587 CD1 LEU A 39 5.833 1.475 3.113 1.00 0.12 C ATOM 588 CD2 LEU A 39 7.476 -0.020 4.262 1.00 0.36 C ATOM 0 H LEU A 39 5.478 0.599 6.845 1.00 0.08 H new ATOM 0 HA LEU A 39 8.338 1.184 6.481 1.00 0.11 H new ATOM 0 HB2 LEU A 39 5.958 2.820 5.513 1.00 0.11 H new ATOM 0 HB3 LEU A 39 7.551 2.705 4.792 1.00 0.11 H new ATOM 0 HG LEU A 39 5.497 0.451 4.978 1.00 0.21 H new ATOM 0 HD11 LEU A 39 5.497 0.635 2.504 1.00 0.12 H new ATOM 0 HD12 LEU A 39 5.006 2.170 3.260 1.00 0.12 H new ATOM 0 HD13 LEU A 39 6.651 1.987 2.606 1.00 0.12 H new ATOM 0 HD21 LEU A 39 7.139 -0.859 3.653 1.00 0.36 H new ATOM 0 HD22 LEU A 39 8.297 0.489 3.756 1.00 0.36 H new ATOM 0 HD23 LEU A 39 7.819 -0.389 5.229 1.00 0.36 H new ATOM 600 N GLY A 40 6.808 2.640 8.780 1.00 0.10 N ATOM 601 CA GLY A 40 6.880 3.725 9.802 1.00 0.12 C ATOM 602 C GLY A 40 5.833 4.802 9.501 1.00 0.13 C ATOM 603 O GLY A 40 5.923 5.914 9.982 1.00 0.17 O ATOM 0 H GLY A 40 6.234 1.838 9.039 1.00 0.10 H new ATOM 0 HA2 GLY A 40 6.711 3.311 10.796 1.00 0.12 H new ATOM 0 HA3 GLY A 40 7.877 4.166 9.805 1.00 0.12 H new ATOM 607 N GLN A 41 4.835 4.483 8.714 1.00 0.11 N ATOM 608 CA GLN A 41 3.772 5.489 8.387 1.00 0.14 C ATOM 609 C GLN A 41 2.550 5.227 9.269 1.00 0.12 C ATOM 610 O GLN A 41 2.213 4.092 9.544 1.00 0.08 O ATOM 611 CB GLN A 41 3.375 5.351 6.915 1.00 0.15 C ATOM 612 CG GLN A 41 4.495 5.899 6.030 1.00 0.20 C ATOM 613 CD GLN A 41 4.122 5.715 4.557 1.00 1.42 C ATOM 614 OE1 GLN A 41 3.539 6.593 3.954 1.00 1.65 O ATOM 615 NE2 GLN A 41 4.438 4.604 3.951 1.00 2.83 N ATOM 0 H GLN A 41 4.709 3.568 8.282 1.00 0.11 H new ATOM 0 HA GLN A 41 4.149 6.496 8.567 1.00 0.14 H new ATOM 0 HB2 GLN A 41 3.187 4.305 6.675 1.00 0.15 H new ATOM 0 HB3 GLN A 41 2.449 5.893 6.725 1.00 0.15 H new ATOM 0 HG2 GLN A 41 4.658 6.955 6.245 1.00 0.20 H new ATOM 0 HG3 GLN A 41 5.429 5.381 6.246 1.00 0.20 H new ATOM 0 HE21 GLN A 41 4.928 3.867 4.459 1.00 2.83 H new ATOM 0 HE22 GLN A 41 4.195 4.472 2.969 1.00 2.83 H new ATOM 624 N ASN A 42 1.887 6.263 9.729 1.00 0.15 N ATOM 625 CA ASN A 42 0.687 6.066 10.608 1.00 0.16 C ATOM 626 C ASN A 42 -0.451 7.004 10.171 1.00 0.18 C ATOM 627 O ASN A 42 -0.732 7.974 10.846 1.00 0.22 O ATOM 628 CB ASN A 42 1.075 6.390 12.054 1.00 0.22 C ATOM 629 CG ASN A 42 0.000 5.859 13.006 1.00 0.23 C ATOM 630 OD1 ASN A 42 -0.867 5.109 12.603 1.00 0.89 O ATOM 631 ND2 ASN A 42 0.020 6.218 14.259 1.00 1.15 N ATOM 0 H ASN A 42 2.124 7.236 9.534 1.00 0.15 H new ATOM 0 HA ASN A 42 0.348 5.033 10.528 1.00 0.16 H new ATOM 0 HB2 ASN A 42 2.039 5.941 12.292 1.00 0.22 H new ATOM 0 HB3 ASN A 42 1.186 7.467 12.179 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -0.692 5.869 14.901 1.00 1.15 H new ATOM 0 HD22 ASN A 42 0.748 6.848 14.598 1.00 1.15 H new ATOM 638 N PRO A 43 -1.087 6.690 9.061 1.00 0.14 N ATOM 639 CA PRO A 43 -2.203 7.508 8.552 1.00 0.15 C ATOM 640 C PRO A 43 -3.437 7.272 9.435 1.00 0.16 C ATOM 641 O PRO A 43 -3.590 6.217 10.015 1.00 0.18 O ATOM 642 CB PRO A 43 -2.442 6.990 7.114 1.00 0.14 C ATOM 643 CG PRO A 43 -1.612 5.682 6.951 1.00 0.08 C ATOM 644 CD PRO A 43 -0.750 5.516 8.225 1.00 0.09 C ATOM 0 HA PRO A 43 -1.997 8.578 8.562 1.00 0.15 H new ATOM 0 HB2 PRO A 43 -3.501 6.797 6.946 1.00 0.14 H new ATOM 0 HB3 PRO A 43 -2.134 7.735 6.381 1.00 0.14 H new ATOM 0 HG2 PRO A 43 -2.271 4.824 6.820 1.00 0.08 H new ATOM 0 HG3 PRO A 43 -0.980 5.737 6.065 1.00 0.08 H new ATOM 0 HD2 PRO A 43 -0.980 4.583 8.740 1.00 0.09 H new ATOM 0 HD3 PRO A 43 0.313 5.493 7.984 1.00 0.09 H new ATOM 652 N THR A 44 -4.321 8.229 9.540 1.00 0.17 N ATOM 653 CA THR A 44 -5.526 8.005 10.385 1.00 0.17 C ATOM 654 C THR A 44 -6.432 6.987 9.700 1.00 0.14 C ATOM 655 O THR A 44 -6.172 6.549 8.596 1.00 0.12 O ATOM 656 CB THR A 44 -6.298 9.311 10.576 1.00 0.20 C ATOM 657 OG1 THR A 44 -6.704 9.810 9.311 1.00 0.18 O ATOM 658 CG2 THR A 44 -5.407 10.343 11.272 1.00 0.36 C ATOM 0 H THR A 44 -4.262 9.140 9.085 1.00 0.17 H new ATOM 0 HA THR A 44 -5.209 7.636 11.361 1.00 0.17 H new ATOM 0 HB THR A 44 -7.177 9.123 11.192 1.00 0.20 H new ATOM 0 HG1 THR A 44 -7.200 10.646 9.433 1.00 0.18 H new ATOM 0 HG21 THR A 44 -5.962 11.272 11.406 1.00 0.36 H new ATOM 0 HG22 THR A 44 -5.099 9.961 12.245 1.00 0.36 H new ATOM 0 HG23 THR A 44 -4.524 10.532 10.661 1.00 0.36 H new ATOM 666 N GLU A 45 -7.492 6.606 10.347 1.00 0.18 N ATOM 667 CA GLU A 45 -8.417 5.614 9.740 1.00 0.14 C ATOM 668 C GLU A 45 -9.133 6.237 8.540 1.00 0.10 C ATOM 669 O GLU A 45 -9.323 5.597 7.525 1.00 0.07 O ATOM 670 CB GLU A 45 -9.444 5.188 10.790 1.00 0.16 C ATOM 671 CG GLU A 45 -8.797 4.207 11.771 1.00 0.15 C ATOM 672 CD GLU A 45 -9.737 3.973 12.957 1.00 1.02 C ATOM 673 OE1 GLU A 45 -10.770 4.619 13.004 1.00 1.93 O ATOM 674 OE2 GLU A 45 -9.406 3.151 13.796 1.00 1.31 O ATOM 0 H GLU A 45 -7.760 6.939 11.273 1.00 0.18 H new ATOM 0 HA GLU A 45 -7.853 4.745 9.401 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -9.816 6.062 11.325 1.00 0.16 H new ATOM 0 HB3 GLU A 45 -10.302 4.722 10.306 1.00 0.16 H new ATOM 0 HG2 GLU A 45 -8.585 3.262 11.270 1.00 0.15 H new ATOM 0 HG3 GLU A 45 -7.844 4.603 12.122 1.00 0.15 H new ATOM 681 N ALA A 46 -9.532 7.475 8.637 1.00 0.12 N ATOM 682 CA ALA A 46 -10.233 8.107 7.486 1.00 0.10 C ATOM 683 C ALA A 46 -9.257 8.237 6.316 1.00 0.11 C ATOM 684 O ALA A 46 -9.607 7.984 5.180 1.00 0.09 O ATOM 685 CB ALA A 46 -10.763 9.487 7.892 1.00 0.14 C ATOM 0 H ALA A 46 -9.405 8.071 9.455 1.00 0.12 H new ATOM 0 HA ALA A 46 -11.077 7.487 7.184 1.00 0.10 H new ATOM 0 HB1 ALA A 46 -11.275 9.944 7.045 1.00 0.14 H new ATOM 0 HB2 ALA A 46 -11.461 9.379 8.722 1.00 0.14 H new ATOM 0 HB3 ALA A 46 -9.931 10.121 8.198 1.00 0.14 H new ATOM 691 N GLU A 47 -8.030 8.606 6.572 1.00 0.16 N ATOM 692 CA GLU A 47 -7.055 8.714 5.456 1.00 0.16 C ATOM 693 C GLU A 47 -6.923 7.337 4.815 1.00 0.10 C ATOM 694 O GLU A 47 -6.791 7.204 3.617 1.00 0.09 O ATOM 695 CB GLU A 47 -5.686 9.155 5.987 1.00 0.26 C ATOM 696 CG GLU A 47 -5.706 10.647 6.337 1.00 0.30 C ATOM 697 CD GLU A 47 -4.272 11.146 6.524 1.00 0.61 C ATOM 698 OE1 GLU A 47 -3.556 10.548 7.309 1.00 0.80 O ATOM 699 OE2 GLU A 47 -3.916 12.119 5.879 1.00 1.09 O ATOM 0 H GLU A 47 -7.666 8.835 7.497 1.00 0.16 H new ATOM 0 HA GLU A 47 -7.401 9.451 4.731 1.00 0.16 H new ATOM 0 HB2 GLU A 47 -5.426 8.571 6.870 1.00 0.26 H new ATOM 0 HB3 GLU A 47 -4.918 8.961 5.238 1.00 0.26 H new ATOM 0 HG2 GLU A 47 -6.198 11.211 5.545 1.00 0.30 H new ATOM 0 HG3 GLU A 47 -6.281 10.810 7.249 1.00 0.30 H new ATOM 706 N LEU A 48 -6.961 6.306 5.614 1.00 0.14 N ATOM 707 CA LEU A 48 -6.839 4.931 5.058 1.00 0.20 C ATOM 708 C LEU A 48 -8.110 4.581 4.273 1.00 0.21 C ATOM 709 O LEU A 48 -8.048 4.033 3.192 1.00 0.29 O ATOM 710 CB LEU A 48 -6.650 3.926 6.213 1.00 0.26 C ATOM 711 CG LEU A 48 -5.165 3.854 6.632 1.00 0.23 C ATOM 712 CD1 LEU A 48 -5.057 3.377 8.086 1.00 0.52 C ATOM 713 CD2 LEU A 48 -4.412 2.861 5.734 1.00 0.35 C ATOM 0 H LEU A 48 -7.071 6.357 6.627 1.00 0.14 H new ATOM 0 HA LEU A 48 -5.978 4.883 4.391 1.00 0.20 H new ATOM 0 HB2 LEU A 48 -7.260 4.224 7.066 1.00 0.26 H new ATOM 0 HB3 LEU A 48 -6.995 2.939 5.904 1.00 0.26 H new ATOM 0 HG LEU A 48 -4.728 4.847 6.532 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.007 3.328 8.376 1.00 0.52 H new ATOM 0 HD12 LEU A 48 -5.581 4.076 8.738 1.00 0.52 H new ATOM 0 HD13 LEU A 48 -5.505 2.388 8.179 1.00 0.52 H new ATOM 0 HD21 LEU A 48 -3.366 2.817 6.037 1.00 0.35 H new ATOM 0 HD22 LEU A 48 -4.859 1.872 5.830 1.00 0.35 H new ATOM 0 HD23 LEU A 48 -4.476 3.188 4.696 1.00 0.35 H new ATOM 725 N GLN A 49 -9.259 4.880 4.811 1.00 0.18 N ATOM 726 CA GLN A 49 -10.523 4.542 4.092 1.00 0.23 C ATOM 727 C GLN A 49 -10.707 5.456 2.879 1.00 0.22 C ATOM 728 O GLN A 49 -11.447 5.147 1.965 1.00 0.23 O ATOM 729 CB GLN A 49 -11.715 4.735 5.035 1.00 0.23 C ATOM 730 CG GLN A 49 -11.711 3.658 6.124 1.00 0.26 C ATOM 731 CD GLN A 49 -13.064 3.654 6.839 1.00 0.86 C ATOM 732 OE1 GLN A 49 -13.190 4.189 7.923 1.00 2.34 O ATOM 733 NE2 GLN A 49 -14.086 3.072 6.275 1.00 0.77 N ATOM 0 H GLN A 49 -9.380 5.341 5.713 1.00 0.18 H new ATOM 0 HA GLN A 49 -10.467 3.505 3.760 1.00 0.23 H new ATOM 0 HB2 GLN A 49 -11.670 5.724 5.492 1.00 0.23 H new ATOM 0 HB3 GLN A 49 -12.646 4.687 4.470 1.00 0.23 H new ATOM 0 HG2 GLN A 49 -11.517 2.680 5.683 1.00 0.26 H new ATOM 0 HG3 GLN A 49 -10.910 3.850 6.838 1.00 0.26 H new ATOM 0 HE21 GLN A 49 -13.979 2.623 5.365 1.00 0.77 H new ATOM 0 HE22 GLN A 49 -14.992 3.066 6.744 1.00 0.77 H new ATOM 742 N ASP A 50 -10.054 6.583 2.863 1.00 0.18 N ATOM 743 CA ASP A 50 -10.213 7.510 1.709 1.00 0.17 C ATOM 744 C ASP A 50 -9.438 6.966 0.510 1.00 0.24 C ATOM 745 O ASP A 50 -9.943 6.909 -0.593 1.00 0.26 O ATOM 746 CB ASP A 50 -9.674 8.893 2.084 1.00 0.11 C ATOM 747 CG ASP A 50 -9.817 9.836 0.888 1.00 1.28 C ATOM 748 OD1 ASP A 50 -10.935 10.224 0.594 1.00 1.47 O ATOM 749 OD2 ASP A 50 -8.805 10.154 0.286 1.00 2.59 O ATOM 0 H ASP A 50 -9.420 6.902 3.595 1.00 0.18 H new ATOM 0 HA ASP A 50 -11.269 7.592 1.452 1.00 0.17 H new ATOM 0 HB2 ASP A 50 -10.220 9.288 2.940 1.00 0.11 H new ATOM 0 HB3 ASP A 50 -8.628 8.820 2.380 1.00 0.11 H new ATOM 754 N MET A 51 -8.219 6.557 0.718 1.00 0.27 N ATOM 755 CA MET A 51 -7.421 6.011 -0.413 1.00 0.34 C ATOM 756 C MET A 51 -8.023 4.677 -0.850 1.00 0.40 C ATOM 757 O MET A 51 -7.939 4.290 -2.000 1.00 0.47 O ATOM 758 CB MET A 51 -5.972 5.802 0.033 1.00 0.38 C ATOM 759 CG MET A 51 -5.395 7.128 0.537 1.00 0.36 C ATOM 760 SD MET A 51 -3.594 6.993 0.662 1.00 0.44 S ATOM 761 CE MET A 51 -3.534 6.186 2.283 1.00 0.52 C ATOM 0 H MET A 51 -7.742 6.577 1.619 1.00 0.27 H new ATOM 0 HA MET A 51 -7.439 6.712 -1.247 1.00 0.34 H new ATOM 0 HB2 MET A 51 -5.928 5.051 0.822 1.00 0.38 H new ATOM 0 HB3 MET A 51 -5.375 5.426 -0.798 1.00 0.38 H new ATOM 0 HG2 MET A 51 -5.664 7.936 -0.144 1.00 0.36 H new ATOM 0 HG3 MET A 51 -5.820 7.376 1.510 1.00 0.36 H new ATOM 0 HE1 MET A 51 -2.496 6.006 2.561 1.00 0.52 H new ATOM 0 HE2 MET A 51 -4.003 6.830 3.027 1.00 0.52 H new ATOM 0 HE3 MET A 51 -4.067 5.237 2.237 1.00 0.52 H new ATOM 771 N ILE A 52 -8.641 3.974 0.058 1.00 0.37 N ATOM 772 CA ILE A 52 -9.261 2.672 -0.301 1.00 0.43 C ATOM 773 C ILE A 52 -10.444 2.930 -1.239 1.00 0.42 C ATOM 774 O ILE A 52 -10.678 2.195 -2.172 1.00 0.44 O ATOM 775 CB ILE A 52 -9.764 1.983 0.977 1.00 0.42 C ATOM 776 CG1 ILE A 52 -8.574 1.404 1.750 1.00 0.41 C ATOM 777 CG2 ILE A 52 -10.734 0.851 0.620 1.00 0.45 C ATOM 778 CD1 ILE A 52 -9.016 0.959 3.153 1.00 0.41 C ATOM 0 H ILE A 52 -8.743 4.248 1.035 1.00 0.37 H new ATOM 0 HA ILE A 52 -8.529 2.033 -0.795 1.00 0.43 H new ATOM 0 HB ILE A 52 -10.282 2.718 1.593 1.00 0.42 H new ATOM 0 HG12 ILE A 52 -8.156 0.556 1.207 1.00 0.41 H new ATOM 0 HG13 ILE A 52 -7.785 2.152 1.830 1.00 0.41 H new ATOM 0 HG21 ILE A 52 -11.084 0.370 1.533 1.00 0.45 H new ATOM 0 HG22 ILE A 52 -11.586 1.260 0.076 1.00 0.45 H new ATOM 0 HG23 ILE A 52 -10.223 0.117 -0.004 1.00 0.45 H new ATOM 0 HD11 ILE A 52 -8.161 0.550 3.691 1.00 0.41 H new ATOM 0 HD12 ILE A 52 -9.412 1.816 3.699 1.00 0.41 H new ATOM 0 HD13 ILE A 52 -9.789 0.196 3.066 1.00 0.41 H new ATOM 790 N ASN A 53 -11.202 3.956 -0.979 1.00 0.40 N ATOM 791 CA ASN A 53 -12.385 4.250 -1.837 1.00 0.40 C ATOM 792 C ASN A 53 -11.938 4.435 -3.292 1.00 0.41 C ATOM 793 O ASN A 53 -12.656 4.106 -4.215 1.00 0.41 O ATOM 794 CB ASN A 53 -13.097 5.523 -1.316 1.00 0.34 C ATOM 795 CG ASN A 53 -14.621 5.366 -1.428 1.00 0.21 C ATOM 796 OD1 ASN A 53 -15.221 4.606 -0.694 1.00 1.00 O ATOM 797 ND2 ASN A 53 -15.269 6.056 -2.325 1.00 0.81 N ATOM 0 H ASN A 53 -11.054 4.607 -0.207 1.00 0.40 H new ATOM 0 HA ASN A 53 -13.085 3.416 -1.796 1.00 0.40 H new ATOM 0 HB2 ASN A 53 -12.819 5.704 -0.278 1.00 0.34 H new ATOM 0 HB3 ASN A 53 -12.771 6.391 -1.890 1.00 0.34 H new ATOM 0 HD21 ASN A 53 -16.281 5.958 -2.411 1.00 0.81 H new ATOM 0 HD22 ASN A 53 -14.764 6.694 -2.941 1.00 0.81 H new ATOM 804 N GLU A 54 -10.760 4.948 -3.506 1.00 0.42 N ATOM 805 CA GLU A 54 -10.276 5.138 -4.907 1.00 0.42 C ATOM 806 C GLU A 54 -9.753 3.808 -5.437 1.00 0.38 C ATOM 807 O GLU A 54 -10.102 3.368 -6.513 1.00 0.35 O ATOM 808 CB GLU A 54 -9.154 6.186 -4.931 1.00 0.45 C ATOM 809 CG GLU A 54 -9.757 7.595 -4.924 1.00 0.36 C ATOM 810 CD GLU A 54 -8.634 8.629 -5.014 1.00 0.95 C ATOM 811 OE1 GLU A 54 -7.554 8.347 -4.521 1.00 1.51 O ATOM 812 OE2 GLU A 54 -8.874 9.687 -5.575 1.00 1.19 O ATOM 0 H GLU A 54 -10.111 5.244 -2.777 1.00 0.42 H new ATOM 0 HA GLU A 54 -11.096 5.485 -5.535 1.00 0.42 H new ATOM 0 HB2 GLU A 54 -8.503 6.055 -4.066 1.00 0.45 H new ATOM 0 HB3 GLU A 54 -8.536 6.050 -5.818 1.00 0.45 H new ATOM 0 HG2 GLU A 54 -10.443 7.713 -5.763 1.00 0.36 H new ATOM 0 HG3 GLU A 54 -10.337 7.750 -4.014 1.00 0.36 H new ATOM 819 N VAL A 55 -8.916 3.171 -4.679 1.00 0.38 N ATOM 820 CA VAL A 55 -8.354 1.867 -5.119 1.00 0.33 C ATOM 821 C VAL A 55 -9.458 0.828 -5.162 1.00 0.27 C ATOM 822 O VAL A 55 -9.409 -0.144 -5.891 1.00 0.21 O ATOM 823 CB VAL A 55 -7.286 1.419 -4.134 1.00 0.33 C ATOM 824 CG1 VAL A 55 -6.786 0.036 -4.535 1.00 0.24 C ATOM 825 CG2 VAL A 55 -6.134 2.418 -4.158 1.00 0.44 C ATOM 0 H VAL A 55 -8.593 3.497 -3.768 1.00 0.38 H new ATOM 0 HA VAL A 55 -7.917 1.978 -6.111 1.00 0.33 H new ATOM 0 HB VAL A 55 -7.700 1.373 -3.127 1.00 0.33 H new ATOM 0 HG11 VAL A 55 -6.020 -0.292 -3.833 1.00 0.24 H new ATOM 0 HG12 VAL A 55 -7.617 -0.670 -4.521 1.00 0.24 H new ATOM 0 HG13 VAL A 55 -6.364 0.079 -5.539 1.00 0.24 H new ATOM 0 HG21 VAL A 55 -5.364 2.103 -3.454 1.00 0.44 H new ATOM 0 HG22 VAL A 55 -5.711 2.462 -5.162 1.00 0.44 H new ATOM 0 HG23 VAL A 55 -6.502 3.404 -3.876 1.00 0.44 H new ATOM 835 N ASP A 56 -10.449 1.049 -4.380 1.00 0.30 N ATOM 836 CA ASP A 56 -11.604 0.106 -4.325 1.00 0.28 C ATOM 837 C ASP A 56 -12.507 0.399 -5.511 1.00 0.30 C ATOM 838 O ASP A 56 -13.717 0.333 -5.436 1.00 0.34 O ATOM 839 CB ASP A 56 -12.382 0.296 -3.017 1.00 0.37 C ATOM 840 CG ASP A 56 -13.595 -0.633 -3.005 1.00 0.42 C ATOM 841 OD1 ASP A 56 -13.410 -1.822 -3.215 1.00 0.77 O ATOM 842 OD2 ASP A 56 -14.691 -0.141 -2.786 1.00 1.28 O ATOM 0 H ASP A 56 -10.524 1.854 -3.758 1.00 0.30 H new ATOM 0 HA ASP A 56 -11.248 -0.924 -4.363 1.00 0.28 H new ATOM 0 HB2 ASP A 56 -11.738 0.081 -2.164 1.00 0.37 H new ATOM 0 HB3 ASP A 56 -12.704 1.333 -2.920 1.00 0.37 H new ATOM 847 N ALA A 57 -11.902 0.727 -6.607 1.00 0.28 N ATOM 848 CA ALA A 57 -12.665 1.041 -7.836 1.00 0.29 C ATOM 849 C ALA A 57 -13.081 -0.260 -8.508 1.00 0.22 C ATOM 850 O ALA A 57 -14.132 -0.366 -9.107 1.00 0.08 O ATOM 851 CB ALA A 57 -11.774 1.872 -8.759 1.00 0.32 C ATOM 0 H ALA A 57 -10.889 0.792 -6.706 1.00 0.28 H new ATOM 0 HA ALA A 57 -13.564 1.611 -7.602 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -12.320 2.113 -9.671 1.00 0.32 H new ATOM 0 HB2 ALA A 57 -11.486 2.794 -8.254 1.00 0.32 H new ATOM 0 HB3 ALA A 57 -10.880 1.302 -9.011 1.00 0.32 H new ATOM 857 N ASP A 58 -12.268 -1.259 -8.380 1.00 0.33 N ATOM 858 CA ASP A 58 -12.592 -2.580 -8.969 1.00 0.26 C ATOM 859 C ASP A 58 -13.573 -3.293 -8.041 1.00 0.30 C ATOM 860 O ASP A 58 -14.254 -4.222 -8.427 1.00 0.27 O ATOM 861 CB ASP A 58 -11.315 -3.415 -9.151 1.00 0.42 C ATOM 862 CG ASP A 58 -11.662 -4.732 -9.847 1.00 0.19 C ATOM 863 OD1 ASP A 58 -12.435 -4.693 -10.791 1.00 0.92 O ATOM 864 OD2 ASP A 58 -11.153 -5.755 -9.423 1.00 0.83 O ATOM 0 H ASP A 58 -11.377 -1.218 -7.884 1.00 0.33 H new ATOM 0 HA ASP A 58 -13.044 -2.448 -9.952 1.00 0.26 H new ATOM 0 HB2 ASP A 58 -10.586 -2.860 -9.742 1.00 0.42 H new ATOM 0 HB3 ASP A 58 -10.856 -3.613 -8.182 1.00 0.42 H new ATOM 869 N GLY A 59 -13.643 -2.856 -6.815 1.00 0.47 N ATOM 870 CA GLY A 59 -14.575 -3.490 -5.839 1.00 0.63 C ATOM 871 C GLY A 59 -14.038 -4.868 -5.437 1.00 0.65 C ATOM 872 O GLY A 59 -14.793 -5.772 -5.144 1.00 0.67 O ATOM 0 H GLY A 59 -13.092 -2.082 -6.444 1.00 0.47 H new ATOM 0 HA2 GLY A 59 -14.680 -2.858 -4.957 1.00 0.63 H new ATOM 0 HA3 GLY A 59 -15.567 -3.589 -6.280 1.00 0.63 H new ATOM 876 N ASN A 60 -12.737 -5.036 -5.426 1.00 0.69 N ATOM 877 CA ASN A 60 -12.147 -6.362 -5.048 1.00 0.77 C ATOM 878 C ASN A 60 -11.667 -6.333 -3.595 1.00 0.68 C ATOM 879 O ASN A 60 -11.100 -7.288 -3.103 1.00 1.25 O ATOM 880 CB ASN A 60 -10.961 -6.668 -5.967 1.00 0.89 C ATOM 881 CG ASN A 60 -9.845 -5.654 -5.716 1.00 2.65 C ATOM 882 OD1 ASN A 60 -8.742 -5.814 -6.205 1.00 3.69 O ATOM 883 ND2 ASN A 60 -10.082 -4.608 -4.973 1.00 3.83 N ATOM 0 H ASN A 60 -12.057 -4.313 -5.662 1.00 0.69 H new ATOM 0 HA ASN A 60 -12.909 -7.134 -5.155 1.00 0.77 H new ATOM 0 HB2 ASN A 60 -10.596 -7.679 -5.783 1.00 0.89 H new ATOM 0 HB3 ASN A 60 -11.276 -6.627 -7.010 1.00 0.89 H new ATOM 0 HD21 ASN A 60 -9.343 -3.926 -4.803 1.00 3.83 H new ATOM 0 HD22 ASN A 60 -11.006 -4.473 -4.563 1.00 3.83 H new ATOM 890 N GLY A 61 -11.888 -5.250 -2.903 1.00 0.20 N ATOM 891 CA GLY A 61 -11.446 -5.167 -1.479 1.00 0.23 C ATOM 892 C GLY A 61 -10.010 -5.687 -1.340 1.00 0.27 C ATOM 893 O GLY A 61 -9.574 -6.041 -0.263 1.00 0.36 O ATOM 0 H GLY A 61 -12.356 -4.417 -3.261 1.00 0.20 H new ATOM 0 HA2 GLY A 61 -11.502 -4.135 -1.133 1.00 0.23 H new ATOM 0 HA3 GLY A 61 -12.115 -5.752 -0.848 1.00 0.23 H new ATOM 897 N THR A 62 -9.275 -5.732 -2.424 1.00 0.30 N ATOM 898 CA THR A 62 -7.860 -6.226 -2.376 1.00 0.30 C ATOM 899 C THR A 62 -6.956 -5.236 -3.122 1.00 0.27 C ATOM 900 O THR A 62 -7.431 -4.351 -3.808 1.00 0.29 O ATOM 901 CB THR A 62 -7.780 -7.595 -3.054 1.00 0.38 C ATOM 902 OG1 THR A 62 -8.440 -7.539 -4.311 1.00 0.52 O ATOM 903 CG2 THR A 62 -8.454 -8.644 -2.170 1.00 0.50 C ATOM 0 H THR A 62 -9.596 -5.446 -3.349 1.00 0.30 H new ATOM 0 HA THR A 62 -7.534 -6.312 -1.339 1.00 0.30 H new ATOM 0 HB THR A 62 -6.735 -7.866 -3.203 1.00 0.38 H new ATOM 0 HG1 THR A 62 -7.999 -6.877 -4.883 1.00 0.52 H new ATOM 0 HG21 THR A 62 -8.396 -9.619 -2.654 1.00 0.50 H new ATOM 0 HG22 THR A 62 -7.947 -8.687 -1.206 1.00 0.50 H new ATOM 0 HG23 THR A 62 -9.499 -8.375 -2.019 1.00 0.50 H new ATOM 911 N ILE A 63 -5.657 -5.370 -2.991 1.00 0.25 N ATOM 912 CA ILE A 63 -4.723 -4.430 -3.687 1.00 0.24 C ATOM 913 C ILE A 63 -3.523 -5.214 -4.223 1.00 0.25 C ATOM 914 O ILE A 63 -2.983 -6.068 -3.551 1.00 0.23 O ATOM 915 CB ILE A 63 -4.221 -3.372 -2.686 1.00 0.17 C ATOM 916 CG1 ILE A 63 -5.397 -2.923 -1.802 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.624 -2.167 -3.438 1.00 0.22 C ATOM 918 CD1 ILE A 63 -4.933 -1.880 -0.783 1.00 0.11 C ATOM 0 H ILE A 63 -5.203 -6.092 -2.431 1.00 0.25 H new ATOM 0 HA ILE A 63 -5.246 -3.942 -4.510 1.00 0.24 H new ATOM 0 HB ILE A 63 -3.439 -3.803 -2.060 1.00 0.17 H new ATOM 0 HG12 ILE A 63 -6.189 -2.505 -2.424 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.820 -3.784 -1.284 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.273 -1.427 -2.719 1.00 0.22 H new ATOM 0 HG22 ILE A 63 -2.788 -2.500 -4.053 1.00 0.22 H new ATOM 0 HG23 ILE A 63 -4.388 -1.721 -4.075 1.00 0.22 H new ATOM 0 HD11 ILE A 63 -5.778 -1.573 -0.166 1.00 0.11 H new ATOM 0 HD12 ILE A 63 -4.158 -2.310 -0.149 1.00 0.11 H new ATOM 0 HD13 ILE A 63 -4.533 -1.012 -1.307 1.00 0.11 H new ATOM 930 N ASP A 64 -3.095 -4.912 -5.419 1.00 0.27 N ATOM 931 CA ASP A 64 -1.910 -5.611 -6.008 1.00 0.27 C ATOM 932 C ASP A 64 -0.691 -4.676 -5.884 1.00 0.25 C ATOM 933 O ASP A 64 -0.836 -3.501 -5.609 1.00 0.25 O ATOM 934 CB ASP A 64 -2.199 -5.956 -7.478 1.00 0.30 C ATOM 935 CG ASP A 64 -2.340 -4.673 -8.304 1.00 0.30 C ATOM 936 OD1 ASP A 64 -2.170 -3.606 -7.743 1.00 0.35 O ATOM 937 OD2 ASP A 64 -2.616 -4.783 -9.488 1.00 0.29 O ATOM 0 H ASP A 64 -3.518 -4.205 -6.021 1.00 0.27 H new ATOM 0 HA ASP A 64 -1.703 -6.542 -5.480 1.00 0.27 H new ATOM 0 HB2 ASP A 64 -1.393 -6.570 -7.880 1.00 0.30 H new ATOM 0 HB3 ASP A 64 -3.114 -6.545 -7.548 1.00 0.30 H new ATOM 942 N PHE A 65 0.507 -5.184 -6.039 1.00 0.25 N ATOM 943 CA PHE A 65 1.716 -4.309 -5.879 1.00 0.23 C ATOM 944 C PHE A 65 1.734 -3.111 -6.861 1.00 0.26 C ATOM 945 O PHE A 65 2.020 -2.016 -6.423 1.00 0.27 O ATOM 946 CB PHE A 65 3.006 -5.146 -5.991 1.00 0.21 C ATOM 947 CG PHE A 65 4.205 -4.312 -5.580 1.00 0.19 C ATOM 948 CD1 PHE A 65 4.325 -3.846 -4.261 1.00 0.66 C ATOM 949 CD2 PHE A 65 5.201 -4.008 -6.520 1.00 0.56 C ATOM 950 CE1 PHE A 65 5.436 -3.081 -3.889 1.00 0.63 C ATOM 951 CE2 PHE A 65 6.311 -3.242 -6.143 1.00 0.60 C ATOM 952 CZ PHE A 65 6.428 -2.779 -4.829 1.00 0.20 C ATOM 0 H PHE A 65 0.702 -6.159 -6.268 1.00 0.25 H new ATOM 0 HA PHE A 65 1.663 -3.876 -4.880 1.00 0.23 H new ATOM 0 HB2 PHE A 65 2.932 -6.029 -5.356 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.132 -5.499 -7.014 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.561 -4.078 -3.534 1.00 0.66 H new ATOM 0 HD2 PHE A 65 5.112 -4.365 -7.535 1.00 0.56 H new ATOM 0 HE1 PHE A 65 5.528 -2.723 -2.874 1.00 0.63 H new ATOM 0 HE2 PHE A 65 7.077 -3.009 -6.868 1.00 0.60 H new ATOM 0 HZ PHE A 65 7.284 -2.188 -4.539 1.00 0.20 H new ATOM 962 N PRO A 66 1.431 -3.287 -8.141 1.00 0.29 N ATOM 963 CA PRO A 66 1.443 -2.130 -9.056 1.00 0.32 C ATOM 964 C PRO A 66 0.569 -1.007 -8.480 1.00 0.33 C ATOM 965 O PRO A 66 0.999 0.122 -8.353 1.00 0.34 O ATOM 966 CB PRO A 66 0.884 -2.665 -10.396 1.00 0.35 C ATOM 967 CG PRO A 66 0.677 -4.196 -10.232 1.00 0.34 C ATOM 968 CD PRO A 66 1.064 -4.571 -8.781 1.00 0.29 C ATOM 0 HA PRO A 66 2.438 -1.707 -9.193 1.00 0.32 H new ATOM 0 HB2 PRO A 66 -0.057 -2.174 -10.643 1.00 0.35 H new ATOM 0 HB3 PRO A 66 1.576 -2.456 -11.212 1.00 0.35 H new ATOM 0 HG2 PRO A 66 -0.360 -4.465 -10.433 1.00 0.34 H new ATOM 0 HG3 PRO A 66 1.293 -4.744 -10.946 1.00 0.34 H new ATOM 0 HD2 PRO A 66 0.233 -5.048 -8.261 1.00 0.29 H new ATOM 0 HD3 PRO A 66 1.897 -5.274 -8.763 1.00 0.29 H new ATOM 976 N GLU A 67 -0.653 -1.307 -8.127 1.00 0.34 N ATOM 977 CA GLU A 67 -1.534 -0.254 -7.558 1.00 0.34 C ATOM 978 C GLU A 67 -0.959 0.222 -6.224 1.00 0.34 C ATOM 979 O GLU A 67 -1.087 1.376 -5.860 1.00 0.34 O ATOM 980 CB GLU A 67 -2.944 -0.810 -7.345 1.00 0.35 C ATOM 981 CG GLU A 67 -3.532 -1.238 -8.690 1.00 0.39 C ATOM 982 CD GLU A 67 -4.827 -2.020 -8.458 1.00 0.37 C ATOM 983 OE1 GLU A 67 -4.791 -2.969 -7.692 1.00 0.40 O ATOM 984 OE2 GLU A 67 -5.830 -1.656 -9.049 1.00 0.32 O ATOM 0 H GLU A 67 -1.075 -2.232 -8.209 1.00 0.34 H new ATOM 0 HA GLU A 67 -1.587 0.585 -8.252 1.00 0.34 H new ATOM 0 HB2 GLU A 67 -2.912 -1.660 -6.663 1.00 0.35 H new ATOM 0 HB3 GLU A 67 -3.579 -0.054 -6.883 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -3.730 -0.362 -9.307 1.00 0.39 H new ATOM 0 HG3 GLU A 67 -2.815 -1.854 -9.232 1.00 0.39 H new ATOM 991 N PHE A 68 -0.312 -0.647 -5.492 1.00 0.33 N ATOM 992 CA PHE A 68 0.276 -0.216 -4.193 1.00 0.33 C ATOM 993 C PHE A 68 1.306 0.872 -4.476 1.00 0.35 C ATOM 994 O PHE A 68 1.456 1.813 -3.719 1.00 0.37 O ATOM 995 CB PHE A 68 0.947 -1.400 -3.478 1.00 0.28 C ATOM 996 CG PHE A 68 1.369 -0.976 -2.090 1.00 0.27 C ATOM 997 CD1 PHE A 68 0.446 -1.005 -1.036 1.00 0.27 C ATOM 998 CD2 PHE A 68 2.684 -0.551 -1.854 1.00 0.26 C ATOM 999 CE1 PHE A 68 0.837 -0.613 0.251 1.00 0.26 C ATOM 1000 CE2 PHE A 68 3.071 -0.159 -0.565 1.00 0.25 C ATOM 1001 CZ PHE A 68 2.148 -0.189 0.484 1.00 0.24 C ATOM 0 H PHE A 68 -0.167 -1.627 -5.736 1.00 0.33 H new ATOM 0 HA PHE A 68 -0.512 0.164 -3.542 1.00 0.33 H new ATOM 0 HB2 PHE A 68 0.257 -2.242 -3.419 1.00 0.28 H new ATOM 0 HB3 PHE A 68 1.814 -1.738 -4.046 1.00 0.28 H new ATOM 0 HD1 PHE A 68 -0.568 -1.330 -1.216 1.00 0.27 H new ATOM 0 HD2 PHE A 68 3.398 -0.526 -2.664 1.00 0.26 H new ATOM 0 HE1 PHE A 68 0.125 -0.639 1.063 1.00 0.26 H new ATOM 0 HE2 PHE A 68 4.084 0.167 -0.382 1.00 0.25 H new ATOM 0 HZ PHE A 68 2.448 0.116 1.476 1.00 0.24 H new ATOM 1011 N LEU A 69 2.012 0.764 -5.575 1.00 0.34 N ATOM 1012 CA LEU A 69 3.019 1.810 -5.911 1.00 0.36 C ATOM 1013 C LEU A 69 2.301 3.107 -6.297 1.00 0.40 C ATOM 1014 O LEU A 69 2.839 4.186 -6.154 1.00 0.43 O ATOM 1015 CB LEU A 69 3.881 1.355 -7.096 1.00 0.32 C ATOM 1016 CG LEU A 69 4.752 0.153 -6.707 1.00 0.28 C ATOM 1017 CD1 LEU A 69 5.535 -0.314 -7.943 1.00 0.29 C ATOM 1018 CD2 LEU A 69 5.738 0.546 -5.588 1.00 0.27 C ATOM 0 H LEU A 69 1.933 0.001 -6.248 1.00 0.34 H new ATOM 0 HA LEU A 69 3.654 1.975 -5.041 1.00 0.36 H new ATOM 0 HB2 LEU A 69 3.240 1.088 -7.936 1.00 0.32 H new ATOM 0 HB3 LEU A 69 4.515 2.177 -7.427 1.00 0.32 H new ATOM 0 HG LEU A 69 4.114 -0.652 -6.342 1.00 0.28 H new ATOM 0 HD11 LEU A 69 6.158 -1.168 -7.678 1.00 0.29 H new ATOM 0 HD12 LEU A 69 4.837 -0.604 -8.728 1.00 0.29 H new ATOM 0 HD13 LEU A 69 6.167 0.498 -8.302 1.00 0.29 H new ATOM 0 HD21 LEU A 69 6.349 -0.316 -5.322 1.00 0.27 H new ATOM 0 HD22 LEU A 69 6.382 1.353 -5.937 1.00 0.27 H new ATOM 0 HD23 LEU A 69 5.181 0.879 -4.713 1.00 0.27 H new ATOM 1030 N THR A 70 1.093 3.016 -6.793 1.00 0.41 N ATOM 1031 CA THR A 70 0.368 4.256 -7.187 1.00 0.44 C ATOM 1032 C THR A 70 -0.027 5.038 -5.930 1.00 0.41 C ATOM 1033 O THR A 70 0.045 6.250 -5.902 1.00 0.28 O ATOM 1034 CB THR A 70 -0.879 3.903 -8.022 1.00 0.46 C ATOM 1035 OG1 THR A 70 -0.467 3.409 -9.288 1.00 0.46 O ATOM 1036 CG2 THR A 70 -1.738 5.155 -8.224 1.00 0.51 C ATOM 0 H THR A 70 0.584 2.145 -6.940 1.00 0.41 H new ATOM 0 HA THR A 70 1.022 4.877 -7.799 1.00 0.44 H new ATOM 0 HB THR A 70 -1.463 3.145 -7.499 1.00 0.46 H new ATOM 0 HG1 THR A 70 -1.256 3.181 -9.823 1.00 0.46 H new ATOM 0 HG21 THR A 70 -2.618 4.901 -8.815 1.00 0.51 H new ATOM 0 HG22 THR A 70 -2.051 5.542 -7.254 1.00 0.51 H new ATOM 0 HG23 THR A 70 -1.157 5.914 -8.747 1.00 0.51 H new ATOM 1044 N MET A 71 -0.429 4.365 -4.883 1.00 0.53 N ATOM 1045 CA MET A 71 -0.803 5.110 -3.639 1.00 0.50 C ATOM 1046 C MET A 71 0.475 5.630 -2.968 1.00 0.47 C ATOM 1047 O MET A 71 0.487 6.693 -2.378 1.00 0.41 O ATOM 1048 CB MET A 71 -1.650 4.220 -2.683 1.00 0.71 C ATOM 1049 CG MET A 71 -0.798 3.340 -1.745 1.00 1.04 C ATOM 1050 SD MET A 71 -1.854 2.717 -0.411 1.00 1.14 S ATOM 1051 CE MET A 71 -3.025 1.789 -1.437 1.00 0.50 C ATOM 0 H MET A 71 -0.514 3.350 -4.832 1.00 0.53 H new ATOM 0 HA MET A 71 -1.432 5.962 -3.897 1.00 0.50 H new ATOM 0 HB2 MET A 71 -2.296 4.859 -2.081 1.00 0.71 H new ATOM 0 HB3 MET A 71 -2.301 3.579 -3.278 1.00 0.71 H new ATOM 0 HG2 MET A 71 -0.361 2.510 -2.300 1.00 1.04 H new ATOM 0 HG3 MET A 71 0.029 3.918 -1.333 1.00 1.04 H new ATOM 0 HE1 MET A 71 -3.553 1.062 -0.820 1.00 0.50 H new ATOM 0 HE2 MET A 71 -3.744 2.477 -1.882 1.00 0.50 H new ATOM 0 HE3 MET A 71 -2.484 1.269 -2.228 1.00 0.50 H new ATOM 1061 N MET A 72 1.554 4.898 -3.067 1.00 0.54 N ATOM 1062 CA MET A 72 2.831 5.356 -2.451 1.00 0.55 C ATOM 1063 C MET A 72 3.368 6.553 -3.241 1.00 0.47 C ATOM 1064 O MET A 72 3.867 7.505 -2.677 1.00 0.48 O ATOM 1065 CB MET A 72 3.848 4.217 -2.493 1.00 0.68 C ATOM 1066 CG MET A 72 3.371 3.082 -1.585 1.00 0.69 C ATOM 1067 SD MET A 72 3.534 3.584 0.145 1.00 0.56 S ATOM 1068 CE MET A 72 5.233 3.013 0.384 1.00 1.02 C ATOM 0 H MET A 72 1.604 4.001 -3.549 1.00 0.54 H new ATOM 0 HA MET A 72 2.659 5.650 -1.416 1.00 0.55 H new ATOM 0 HB2 MET A 72 3.966 3.856 -3.515 1.00 0.68 H new ATOM 0 HB3 MET A 72 4.825 4.574 -2.167 1.00 0.68 H new ATOM 0 HG2 MET A 72 2.333 2.836 -1.807 1.00 0.69 H new ATOM 0 HG3 MET A 72 3.958 2.182 -1.771 1.00 0.69 H new ATOM 0 HE1 MET A 72 5.687 3.559 1.211 1.00 1.02 H new ATOM 0 HE2 MET A 72 5.230 1.947 0.611 1.00 1.02 H new ATOM 0 HE3 MET A 72 5.807 3.189 -0.526 1.00 1.02 H new ATOM 1078 N ALA A 73 3.266 6.515 -4.544 1.00 0.41 N ATOM 1079 CA ALA A 73 3.770 7.654 -5.357 1.00 0.34 C ATOM 1080 C ALA A 73 2.914 8.891 -5.073 1.00 0.30 C ATOM 1081 O ALA A 73 3.369 10.011 -5.187 1.00 0.31 O ATOM 1082 CB ALA A 73 3.681 7.300 -6.844 1.00 0.32 C ATOM 0 H ALA A 73 2.857 5.747 -5.076 1.00 0.41 H new ATOM 0 HA ALA A 73 4.809 7.859 -5.097 1.00 0.34 H new ATOM 0 HB1 ALA A 73 4.050 8.135 -7.440 1.00 0.32 H new ATOM 0 HB2 ALA A 73 4.286 6.416 -7.044 1.00 0.32 H new ATOM 0 HB3 ALA A 73 2.643 7.097 -7.108 1.00 0.32 H new ATOM 1088 N ARG A 74 1.679 8.695 -4.705 1.00 0.28 N ATOM 1089 CA ARG A 74 0.793 9.854 -4.416 1.00 0.27 C ATOM 1090 C ARG A 74 1.279 10.557 -3.148 1.00 0.24 C ATOM 1091 O ARG A 74 1.233 11.766 -3.035 1.00 0.19 O ATOM 1092 CB ARG A 74 -0.649 9.352 -4.224 1.00 0.29 C ATOM 1093 CG ARG A 74 -1.360 9.209 -5.593 1.00 0.35 C ATOM 1094 CD ARG A 74 -2.137 10.488 -5.920 1.00 0.43 C ATOM 1095 NE ARG A 74 -2.608 10.440 -7.332 1.00 1.79 N ATOM 1096 CZ ARG A 74 -3.533 11.265 -7.736 1.00 2.06 C ATOM 1097 NH1 ARG A 74 -4.035 12.135 -6.904 1.00 1.55 N ATOM 1098 NH2 ARG A 74 -3.953 11.222 -8.972 1.00 3.31 N ATOM 0 H ARG A 74 1.245 7.779 -4.592 1.00 0.28 H new ATOM 0 HA ARG A 74 0.819 10.560 -5.246 1.00 0.27 H new ATOM 0 HB2 ARG A 74 -0.640 8.391 -3.710 1.00 0.29 H new ATOM 0 HB3 ARG A 74 -1.201 10.047 -3.591 1.00 0.29 H new ATOM 0 HG2 ARG A 74 -0.626 9.011 -6.374 1.00 0.35 H new ATOM 0 HG3 ARG A 74 -2.040 8.357 -5.571 1.00 0.35 H new ATOM 0 HD2 ARG A 74 -2.987 10.591 -5.246 1.00 0.43 H new ATOM 0 HD3 ARG A 74 -1.502 11.360 -5.768 1.00 0.43 H new ATOM 0 HE ARG A 74 -2.208 9.763 -7.982 1.00 1.79 H new ATOM 0 HH11 ARG A 74 -3.704 12.169 -5.940 1.00 1.55 H new ATOM 0 HH12 ARG A 74 -4.759 12.782 -7.217 1.00 1.55 H new ATOM 0 HH21 ARG A 74 -3.557 10.543 -9.622 1.00 3.31 H new ATOM 0 HH22 ARG A 74 -4.677 11.868 -9.287 1.00 3.31 H new ATOM 1112 N LYS A 75 1.750 9.806 -2.196 1.00 0.29 N ATOM 1113 CA LYS A 75 2.246 10.422 -0.932 1.00 0.27 C ATOM 1114 C LYS A 75 3.638 11.003 -1.176 1.00 0.30 C ATOM 1115 O LYS A 75 3.956 12.099 -0.761 1.00 0.33 O ATOM 1116 CB LYS A 75 2.310 9.343 0.169 1.00 0.33 C ATOM 1117 CG LYS A 75 0.960 9.247 0.907 1.00 0.42 C ATOM 1118 CD LYS A 75 0.900 10.290 2.030 1.00 1.12 C ATOM 1119 CE LYS A 75 -0.413 10.139 2.800 1.00 1.43 C ATOM 1120 NZ LYS A 75 -0.515 11.215 3.824 1.00 2.36 N ATOM 0 H LYS A 75 1.814 8.789 -2.236 1.00 0.29 H new ATOM 0 HA LYS A 75 1.573 11.217 -0.613 1.00 0.27 H new ATOM 0 HB2 LYS A 75 2.560 8.378 -0.273 1.00 0.33 H new ATOM 0 HB3 LYS A 75 3.103 9.584 0.877 1.00 0.33 H new ATOM 0 HG2 LYS A 75 0.141 9.408 0.206 1.00 0.42 H new ATOM 0 HG3 LYS A 75 0.833 8.247 1.321 1.00 0.42 H new ATOM 0 HD2 LYS A 75 1.746 10.162 2.705 1.00 1.12 H new ATOM 0 HD3 LYS A 75 0.975 11.294 1.612 1.00 1.12 H new ATOM 0 HE2 LYS A 75 -1.258 10.194 2.114 1.00 1.43 H new ATOM 0 HE3 LYS A 75 -0.455 9.161 3.279 1.00 1.43 H new ATOM 0 HZ1 LYS A 75 -1.408 11.112 4.348 1.00 2.36 H new ATOM 0 HZ2 LYS A 75 0.285 11.142 4.485 1.00 2.36 H new ATOM 0 HZ3 LYS A 75 -0.493 12.143 3.356 1.00 2.36 H new ATOM 1134 N MET A 76 4.549 10.243 -1.698 1.00 0.33 N ATOM 1135 CA MET A 76 5.968 10.750 -1.733 1.00 0.41 C ATOM 1136 C MET A 76 6.003 12.235 -2.025 1.00 0.86 C ATOM 1137 O MET A 76 6.041 12.690 -3.149 1.00 0.67 O ATOM 1138 CB MET A 76 6.798 9.984 -2.759 1.00 0.32 C ATOM 1139 CG MET A 76 6.669 8.493 -2.512 1.00 0.91 C ATOM 1140 SD MET A 76 7.114 8.094 -0.809 1.00 0.92 S ATOM 1141 CE MET A 76 6.604 6.363 -0.884 1.00 2.22 C ATOM 0 H MET A 76 4.395 9.316 -2.095 1.00 0.33 H new ATOM 0 HA MET A 76 6.406 10.583 -0.749 1.00 0.41 H new ATOM 0 HB2 MET A 76 6.461 10.226 -3.767 1.00 0.32 H new ATOM 0 HB3 MET A 76 7.844 10.284 -2.692 1.00 0.32 H new ATOM 0 HG2 MET A 76 5.647 8.172 -2.712 1.00 0.91 H new ATOM 0 HG3 MET A 76 7.314 7.947 -3.200 1.00 0.91 H new ATOM 0 HE1 MET A 76 6.991 5.832 -0.014 1.00 2.22 H new ATOM 0 HE2 MET A 76 5.516 6.304 -0.890 1.00 2.22 H new ATOM 0 HE3 MET A 76 6.997 5.907 -1.793 1.00 2.22 H new ATOM 1151 N LYS A 77 5.977 12.980 -0.947 1.00 2.15 N ATOM 1152 CA LYS A 77 5.991 14.447 -1.021 1.00 2.89 C ATOM 1153 C LYS A 77 6.584 15.044 0.252 1.00 3.42 C ATOM 1154 O LYS A 77 7.776 15.261 0.351 1.00 3.60 O ATOM 1155 CB LYS A 77 4.558 14.940 -1.217 1.00 3.42 C ATOM 1156 CG LYS A 77 4.075 14.519 -2.599 1.00 2.24 C ATOM 1157 CD LYS A 77 2.815 15.307 -2.969 1.00 2.83 C ATOM 1158 CE LYS A 77 1.722 15.041 -1.931 1.00 3.99 C ATOM 1159 NZ LYS A 77 0.405 15.471 -2.479 1.00 3.77 N ATOM 0 H LYS A 77 5.946 12.607 0.002 1.00 2.15 H new ATOM 0 HA LYS A 77 6.611 14.763 -1.860 1.00 2.89 H new ATOM 0 HB2 LYS A 77 3.908 14.524 -0.448 1.00 3.42 H new ATOM 0 HB3 LYS A 77 4.516 16.025 -1.117 1.00 3.42 H new ATOM 0 HG2 LYS A 77 4.857 14.697 -3.338 1.00 2.24 H new ATOM 0 HG3 LYS A 77 3.863 13.450 -2.610 1.00 2.24 H new ATOM 0 HD2 LYS A 77 3.039 16.373 -3.011 1.00 2.83 H new ATOM 0 HD3 LYS A 77 2.469 15.015 -3.960 1.00 2.83 H new ATOM 0 HE2 LYS A 77 1.695 13.981 -1.679 1.00 3.99 H new ATOM 0 HE3 LYS A 77 1.940 15.582 -1.010 1.00 3.99 H new ATOM 0 HZ1 LYS A 77 -0.339 15.291 -1.775 1.00 3.77 H new ATOM 0 HZ2 LYS A 77 0.435 16.487 -2.699 1.00 3.77 H new ATOM 0 HZ3 LYS A 77 0.198 14.935 -3.346 1.00 3.77 H new ATOM 1173 N ASP A 78 5.753 15.432 1.164 1.00 0.84 N ATOM 1174 CA ASP A 78 6.262 16.160 2.363 1.00 0.71 C ATOM 1175 C ASP A 78 7.324 15.340 3.096 1.00 0.53 C ATOM 1176 O ASP A 78 7.966 15.816 4.012 1.00 0.57 O ATOM 1177 CB ASP A 78 5.103 16.463 3.312 1.00 0.62 C ATOM 1178 CG ASP A 78 5.599 17.329 4.473 1.00 0.59 C ATOM 1179 OD1 ASP A 78 5.693 18.530 4.290 1.00 1.54 O ATOM 1180 OD2 ASP A 78 5.873 16.773 5.524 1.00 0.85 O ATOM 0 H ASP A 78 4.745 15.281 1.139 1.00 0.84 H new ATOM 0 HA ASP A 78 6.719 17.091 2.028 1.00 0.71 H new ATOM 0 HB2 ASP A 78 4.306 16.979 2.776 1.00 0.62 H new ATOM 0 HB3 ASP A 78 4.680 15.534 3.694 1.00 0.62 H new ATOM 1185 N THR A 79 7.512 14.117 2.699 1.00 0.56 N ATOM 1186 CA THR A 79 8.535 13.234 3.355 1.00 0.41 C ATOM 1187 C THR A 79 9.523 12.724 2.306 1.00 0.42 C ATOM 1188 O THR A 79 9.875 11.559 2.275 1.00 0.40 O ATOM 1189 CB THR A 79 7.820 12.046 4.005 1.00 0.37 C ATOM 1190 OG1 THR A 79 8.763 11.265 4.724 1.00 0.26 O ATOM 1191 CG2 THR A 79 7.156 11.184 2.922 1.00 0.54 C ATOM 0 H THR A 79 6.997 13.677 1.937 1.00 0.56 H new ATOM 0 HA THR A 79 9.079 13.799 4.112 1.00 0.41 H new ATOM 0 HB THR A 79 7.055 12.414 4.688 1.00 0.37 H new ATOM 0 HG1 THR A 79 9.471 10.965 4.116 1.00 0.26 H new ATOM 0 HG21 THR A 79 6.649 10.340 3.389 1.00 0.54 H new ATOM 0 HG22 THR A 79 6.431 11.785 2.373 1.00 0.54 H new ATOM 0 HG23 THR A 79 7.916 10.815 2.234 1.00 0.54 H new ATOM 1199 N ASP A 80 9.985 13.589 1.454 1.00 0.47 N ATOM 1200 CA ASP A 80 10.962 13.177 0.402 1.00 0.49 C ATOM 1201 C ASP A 80 12.051 12.310 1.018 1.00 0.41 C ATOM 1202 O ASP A 80 12.157 12.170 2.221 1.00 0.35 O ATOM 1203 CB ASP A 80 11.592 14.428 -0.226 1.00 0.53 C ATOM 1204 CG ASP A 80 12.209 14.069 -1.582 1.00 1.54 C ATOM 1205 OD1 ASP A 80 13.332 13.594 -1.593 1.00 2.31 O ATOM 1206 OD2 ASP A 80 11.547 14.280 -2.583 1.00 2.03 O ATOM 0 H ASP A 80 9.728 14.576 1.437 1.00 0.47 H new ATOM 0 HA ASP A 80 10.444 12.604 -0.367 1.00 0.49 H new ATOM 0 HB2 ASP A 80 10.836 15.203 -0.353 1.00 0.53 H new ATOM 0 HB3 ASP A 80 12.357 14.834 0.436 1.00 0.53 H new ATOM 1211 N SER A 81 12.872 11.742 0.191 1.00 0.43 N ATOM 1212 CA SER A 81 13.980 10.896 0.688 1.00 0.40 C ATOM 1213 C SER A 81 15.107 11.840 1.053 1.00 0.33 C ATOM 1214 O SER A 81 16.013 11.531 1.801 1.00 0.31 O ATOM 1215 CB SER A 81 14.409 9.930 -0.415 1.00 0.48 C ATOM 1216 OG SER A 81 15.092 8.825 0.161 1.00 0.77 O ATOM 0 H SER A 81 12.821 11.830 -0.824 1.00 0.43 H new ATOM 0 HA SER A 81 13.688 10.300 1.553 1.00 0.40 H new ATOM 0 HB2 SER A 81 13.537 9.583 -0.969 1.00 0.48 H new ATOM 0 HB3 SER A 81 15.057 10.440 -1.128 1.00 0.48 H new ATOM 0 HG SER A 81 15.366 8.205 -0.547 1.00 0.77 H new ATOM 1222 N GLU A 82 15.021 13.005 0.502 1.00 0.33 N ATOM 1223 CA GLU A 82 16.037 14.056 0.755 1.00 0.28 C ATOM 1224 C GLU A 82 16.073 14.379 2.252 1.00 0.25 C ATOM 1225 O GLU A 82 17.121 14.456 2.861 1.00 0.21 O ATOM 1226 CB GLU A 82 15.637 15.299 -0.061 1.00 0.28 C ATOM 1227 CG GLU A 82 16.370 15.313 -1.409 1.00 1.10 C ATOM 1228 CD GLU A 82 15.991 16.577 -2.183 1.00 1.05 C ATOM 1229 OE1 GLU A 82 16.656 17.583 -1.997 1.00 1.37 O ATOM 1230 OE2 GLU A 82 15.043 16.517 -2.948 1.00 1.54 O ATOM 0 H GLU A 82 14.271 13.284 -0.130 1.00 0.33 H new ATOM 0 HA GLU A 82 17.031 13.722 0.456 1.00 0.28 H new ATOM 0 HB2 GLU A 82 14.560 15.302 -0.226 1.00 0.28 H new ATOM 0 HB3 GLU A 82 15.877 16.202 0.500 1.00 0.28 H new ATOM 0 HG2 GLU A 82 17.448 15.281 -1.249 1.00 1.10 H new ATOM 0 HG3 GLU A 82 16.107 14.427 -1.987 1.00 1.10 H new ATOM 1237 N GLU A 83 14.932 14.569 2.841 1.00 0.28 N ATOM 1238 CA GLU A 83 14.880 14.893 4.297 1.00 0.29 C ATOM 1239 C GLU A 83 15.387 13.702 5.109 1.00 0.23 C ATOM 1240 O GLU A 83 15.773 13.837 6.254 1.00 0.24 O ATOM 1241 CB GLU A 83 13.435 15.206 4.703 1.00 0.34 C ATOM 1242 CG GLU A 83 13.002 16.545 4.101 1.00 0.93 C ATOM 1243 CD GLU A 83 12.739 16.372 2.604 1.00 2.72 C ATOM 1244 OE1 GLU A 83 13.675 16.525 1.835 1.00 4.17 O ATOM 1245 OE2 GLU A 83 11.605 16.091 2.250 1.00 3.02 O ATOM 0 H GLU A 83 14.025 14.515 2.378 1.00 0.28 H new ATOM 0 HA GLU A 83 15.510 15.760 4.493 1.00 0.29 H new ATOM 0 HB2 GLU A 83 12.772 14.412 4.360 1.00 0.34 H new ATOM 0 HB3 GLU A 83 13.353 15.243 5.789 1.00 0.34 H new ATOM 0 HG2 GLU A 83 12.102 16.906 4.600 1.00 0.93 H new ATOM 0 HG3 GLU A 83 13.777 17.295 4.260 1.00 0.93 H new ATOM 1252 N GLU A 84 15.389 12.544 4.525 1.00 0.19 N ATOM 1253 CA GLU A 84 15.872 11.335 5.257 1.00 0.15 C ATOM 1254 C GLU A 84 17.392 11.265 5.168 1.00 0.12 C ATOM 1255 O GLU A 84 18.073 10.929 6.119 1.00 0.12 O ATOM 1256 CB GLU A 84 15.264 10.077 4.627 1.00 0.11 C ATOM 1257 CG GLU A 84 13.758 10.049 4.891 1.00 0.17 C ATOM 1258 CD GLU A 84 13.502 9.763 6.373 1.00 1.30 C ATOM 1259 OE1 GLU A 84 13.609 8.611 6.762 1.00 1.39 O ATOM 1260 OE2 GLU A 84 13.202 10.700 7.093 1.00 2.58 O ATOM 0 H GLU A 84 15.077 12.375 3.569 1.00 0.19 H new ATOM 0 HA GLU A 84 15.570 11.397 6.302 1.00 0.15 H new ATOM 0 HB2 GLU A 84 15.456 10.066 3.554 1.00 0.11 H new ATOM 0 HB3 GLU A 84 15.733 9.186 5.044 1.00 0.11 H new ATOM 0 HG2 GLU A 84 13.312 11.004 4.612 1.00 0.17 H new ATOM 0 HG3 GLU A 84 13.285 9.284 4.275 1.00 0.17 H new ATOM 1267 N ILE A 85 17.930 11.589 4.031 1.00 0.10 N ATOM 1268 CA ILE A 85 19.407 11.550 3.866 1.00 0.09 C ATOM 1269 C ILE A 85 20.032 12.685 4.690 1.00 0.06 C ATOM 1270 O ILE A 85 21.066 12.516 5.306 1.00 0.08 O ATOM 1271 CB ILE A 85 19.772 11.711 2.378 1.00 0.13 C ATOM 1272 CG1 ILE A 85 19.569 10.370 1.648 1.00 0.16 C ATOM 1273 CG2 ILE A 85 21.239 12.153 2.248 1.00 0.14 C ATOM 1274 CD1 ILE A 85 19.849 10.551 0.155 1.00 0.21 C ATOM 0 H ILE A 85 17.409 11.881 3.204 1.00 0.10 H new ATOM 0 HA ILE A 85 19.792 10.592 4.216 1.00 0.09 H new ATOM 0 HB ILE A 85 19.128 12.468 1.930 1.00 0.13 H new ATOM 0 HG12 ILE A 85 20.234 9.614 2.064 1.00 0.16 H new ATOM 0 HG13 ILE A 85 18.549 10.014 1.797 1.00 0.16 H new ATOM 0 HG21 ILE A 85 21.493 12.266 1.194 1.00 0.14 H new ATOM 0 HG22 ILE A 85 21.379 13.106 2.759 1.00 0.14 H new ATOM 0 HG23 ILE A 85 21.887 11.401 2.699 1.00 0.14 H new ATOM 0 HD11 ILE A 85 19.705 9.601 -0.360 1.00 0.21 H new ATOM 0 HD12 ILE A 85 19.165 11.294 -0.256 1.00 0.21 H new ATOM 0 HD13 ILE A 85 20.877 10.887 0.016 1.00 0.21 H new ATOM 1286 N ARG A 86 19.423 13.839 4.701 1.00 0.08 N ATOM 1287 CA ARG A 86 20.004 14.967 5.482 1.00 0.12 C ATOM 1288 C ARG A 86 19.971 14.626 6.972 1.00 0.13 C ATOM 1289 O ARG A 86 20.978 14.676 7.650 1.00 0.29 O ATOM 1290 CB ARG A 86 19.182 16.235 5.248 1.00 0.20 C ATOM 1291 CG ARG A 86 19.375 16.719 3.812 1.00 1.56 C ATOM 1292 CD ARG A 86 18.535 17.975 3.583 1.00 1.54 C ATOM 1293 NE ARG A 86 19.119 19.111 4.351 1.00 0.96 N ATOM 1294 CZ ARG A 86 18.752 20.335 4.085 1.00 1.11 C ATOM 1295 NH1 ARG A 86 17.874 20.563 3.148 1.00 1.34 N ATOM 1296 NH2 ARG A 86 19.264 21.332 4.756 1.00 2.34 N ATOM 0 H ARG A 86 18.555 14.049 4.207 1.00 0.08 H new ATOM 0 HA ARG A 86 21.032 15.130 5.160 1.00 0.12 H new ATOM 0 HB2 ARG A 86 18.127 16.035 5.435 1.00 0.20 H new ATOM 0 HB3 ARG A 86 19.488 17.012 5.948 1.00 0.20 H new ATOM 0 HG2 ARG A 86 20.428 16.933 3.627 1.00 1.56 H new ATOM 0 HG3 ARG A 86 19.081 15.938 3.111 1.00 1.56 H new ATOM 0 HD2 ARG A 86 18.506 18.217 2.521 1.00 1.54 H new ATOM 0 HD3 ARG A 86 17.506 17.800 3.898 1.00 1.54 H new ATOM 0 HE ARG A 86 19.805 18.932 5.084 1.00 0.96 H new ATOM 0 HH11 ARG A 86 17.474 19.785 2.623 1.00 1.34 H new ATOM 0 HH12 ARG A 86 17.587 21.519 2.940 1.00 1.34 H new ATOM 0 HH21 ARG A 86 19.951 21.154 5.489 1.00 2.34 H new ATOM 0 HH22 ARG A 86 18.977 22.288 4.547 1.00 2.34 H new ATOM 1310 N GLU A 87 18.820 14.285 7.494 1.00 0.18 N ATOM 1311 CA GLU A 87 18.742 13.956 8.944 1.00 0.15 C ATOM 1312 C GLU A 87 19.788 12.895 9.279 1.00 0.12 C ATOM 1313 O GLU A 87 20.250 12.810 10.399 1.00 0.12 O ATOM 1314 CB GLU A 87 17.330 13.458 9.306 1.00 0.14 C ATOM 1315 CG GLU A 87 16.387 14.653 9.462 1.00 0.35 C ATOM 1316 CD GLU A 87 14.942 14.155 9.534 1.00 0.79 C ATOM 1317 OE1 GLU A 87 14.729 13.087 10.087 1.00 1.42 O ATOM 1318 OE2 GLU A 87 14.071 14.849 9.036 1.00 1.94 O ATOM 0 H GLU A 87 17.940 14.221 6.982 1.00 0.18 H new ATOM 0 HA GLU A 87 18.944 14.853 9.529 1.00 0.15 H new ATOM 0 HB2 GLU A 87 16.960 12.789 8.529 1.00 0.14 H new ATOM 0 HB3 GLU A 87 17.362 12.884 10.232 1.00 0.14 H new ATOM 0 HG2 GLU A 87 16.636 15.211 10.364 1.00 0.35 H new ATOM 0 HG3 GLU A 87 16.506 15.336 8.621 1.00 0.35 H new ATOM 1325 N ALA A 88 20.208 12.110 8.320 1.00 0.12 N ATOM 1326 CA ALA A 88 21.262 11.110 8.621 1.00 0.11 C ATOM 1327 C ALA A 88 22.581 11.849 8.605 1.00 0.11 C ATOM 1328 O ALA A 88 23.397 11.717 9.488 1.00 0.13 O ATOM 1329 CB ALA A 88 21.287 10.022 7.558 1.00 0.12 C ATOM 0 H ALA A 88 19.870 12.121 7.358 1.00 0.12 H new ATOM 0 HA ALA A 88 21.073 10.637 9.585 1.00 0.11 H new ATOM 0 HB1 ALA A 88 22.066 9.298 7.796 1.00 0.12 H new ATOM 0 HB2 ALA A 88 20.321 9.519 7.530 1.00 0.12 H new ATOM 0 HB3 ALA A 88 21.492 10.469 6.585 1.00 0.12 H new ATOM 1335 N PHE A 89 22.792 12.654 7.610 1.00 0.11 N ATOM 1336 CA PHE A 89 24.051 13.417 7.570 1.00 0.12 C ATOM 1337 C PHE A 89 24.097 14.284 8.824 1.00 0.12 C ATOM 1338 O PHE A 89 25.154 14.650 9.299 1.00 0.17 O ATOM 1339 CB PHE A 89 24.110 14.277 6.296 1.00 0.12 C ATOM 1340 CG PHE A 89 24.709 13.463 5.168 1.00 0.11 C ATOM 1341 CD1 PHE A 89 26.039 13.035 5.258 1.00 0.11 C ATOM 1342 CD2 PHE A 89 23.941 13.120 4.043 1.00 0.11 C ATOM 1343 CE1 PHE A 89 26.596 12.286 4.238 1.00 0.12 C ATOM 1344 CE2 PHE A 89 24.517 12.350 3.009 1.00 0.11 C ATOM 1345 CZ PHE A 89 25.858 11.943 3.123 1.00 0.12 C ATOM 0 H PHE A 89 22.152 12.813 6.832 1.00 0.11 H new ATOM 0 HA PHE A 89 24.912 12.749 7.547 1.00 0.12 H new ATOM 0 HB2 PHE A 89 23.110 14.614 6.025 1.00 0.12 H new ATOM 0 HB3 PHE A 89 24.710 15.170 6.474 1.00 0.12 H new ATOM 0 HD1 PHE A 89 26.630 13.290 6.125 1.00 0.11 H new ATOM 0 HD2 PHE A 89 22.913 13.444 3.969 1.00 0.11 H new ATOM 0 HE1 PHE A 89 27.624 11.964 4.315 1.00 0.12 H new ATOM 0 HE2 PHE A 89 23.935 12.077 2.141 1.00 0.11 H new ATOM 0 HZ PHE A 89 26.312 11.360 2.335 1.00 0.12 H new ATOM 1355 N ARG A 90 22.954 14.579 9.395 1.00 0.07 N ATOM 1356 CA ARG A 90 22.951 15.374 10.646 1.00 0.07 C ATOM 1357 C ARG A 90 23.586 14.510 11.731 1.00 0.14 C ATOM 1358 O ARG A 90 24.501 14.921 12.413 1.00 0.22 O ATOM 1359 CB ARG A 90 21.511 15.733 11.031 1.00 0.10 C ATOM 1360 CG ARG A 90 21.521 16.882 12.047 1.00 0.43 C ATOM 1361 CD ARG A 90 20.086 17.330 12.352 1.00 0.33 C ATOM 1362 NE ARG A 90 19.484 16.415 13.363 1.00 2.16 N ATOM 1363 CZ ARG A 90 18.396 16.768 13.994 1.00 2.85 C ATOM 1364 NH1 ARG A 90 17.834 17.915 13.733 1.00 2.43 N ATOM 1365 NH2 ARG A 90 17.871 15.971 14.885 1.00 4.62 N ATOM 0 H ARG A 90 22.036 14.303 9.047 1.00 0.07 H new ATOM 0 HA ARG A 90 23.508 16.302 10.519 1.00 0.07 H new ATOM 0 HB2 ARG A 90 20.948 16.024 10.144 1.00 0.10 H new ATOM 0 HB3 ARG A 90 21.010 14.863 11.456 1.00 0.10 H new ATOM 0 HG2 ARG A 90 22.013 16.561 12.965 1.00 0.43 H new ATOM 0 HG3 ARG A 90 22.096 17.720 11.654 1.00 0.43 H new ATOM 0 HD2 ARG A 90 20.085 18.354 12.726 1.00 0.33 H new ATOM 0 HD3 ARG A 90 19.490 17.324 11.439 1.00 0.33 H new ATOM 0 HE ARG A 90 19.921 15.515 13.562 1.00 2.16 H new ATOM 0 HH11 ARG A 90 18.244 18.537 13.036 1.00 2.43 H new ATOM 0 HH12 ARG A 90 16.984 18.191 14.226 1.00 2.43 H new ATOM 0 HH21 ARG A 90 18.310 15.073 15.088 1.00 4.62 H new ATOM 0 HH22 ARG A 90 17.021 16.246 15.378 1.00 4.62 H new ATOM 1379 N VAL A 91 23.126 13.292 11.858 1.00 0.14 N ATOM 1380 CA VAL A 91 23.722 12.360 12.869 1.00 0.22 C ATOM 1381 C VAL A 91 25.238 12.387 12.687 1.00 0.23 C ATOM 1382 O VAL A 91 25.997 12.053 13.576 1.00 0.32 O ATOM 1383 CB VAL A 91 23.194 10.921 12.619 1.00 0.24 C ATOM 1384 CG1 VAL A 91 24.222 9.870 13.074 1.00 0.30 C ATOM 1385 CG2 VAL A 91 21.880 10.699 13.387 1.00 0.29 C ATOM 0 H VAL A 91 22.363 12.900 11.306 1.00 0.14 H new ATOM 0 HA VAL A 91 23.452 12.664 13.880 1.00 0.22 H new ATOM 0 HB VAL A 91 23.022 10.810 11.548 1.00 0.24 H new ATOM 0 HG11 VAL A 91 23.828 8.871 12.888 1.00 0.30 H new ATOM 0 HG12 VAL A 91 25.150 10.003 12.517 1.00 0.30 H new ATOM 0 HG13 VAL A 91 24.418 9.990 14.140 1.00 0.30 H new ATOM 0 HG21 VAL A 91 21.519 9.687 13.205 1.00 0.29 H new ATOM 0 HG22 VAL A 91 22.055 10.835 14.454 1.00 0.29 H new ATOM 0 HG23 VAL A 91 21.134 11.417 13.047 1.00 0.29 H new ATOM 1395 N PHE A 92 25.670 12.748 11.513 1.00 0.19 N ATOM 1396 CA PHE A 92 27.127 12.767 11.206 1.00 0.25 C ATOM 1397 C PHE A 92 27.693 14.182 11.312 1.00 0.29 C ATOM 1398 O PHE A 92 28.883 14.379 11.418 1.00 0.32 O ATOM 1399 CB PHE A 92 27.284 12.194 9.794 1.00 0.23 C ATOM 1400 CG PHE A 92 27.382 10.696 9.892 1.00 0.21 C ATOM 1401 CD1 PHE A 92 26.225 9.894 9.950 1.00 0.16 C ATOM 1402 CD2 PHE A 92 28.642 10.121 9.976 1.00 0.26 C ATOM 1403 CE1 PHE A 92 26.348 8.516 10.101 1.00 0.14 C ATOM 1404 CE2 PHE A 92 28.768 8.737 10.113 1.00 0.24 C ATOM 1405 CZ PHE A 92 27.616 7.937 10.183 1.00 0.17 C ATOM 0 H PHE A 92 25.067 13.035 10.742 1.00 0.19 H new ATOM 0 HA PHE A 92 27.688 12.168 11.923 1.00 0.25 H new ATOM 0 HB2 PHE A 92 26.434 12.478 9.174 1.00 0.23 H new ATOM 0 HB3 PHE A 92 28.176 12.601 9.318 1.00 0.23 H new ATOM 0 HD1 PHE A 92 25.247 10.347 9.878 1.00 0.16 H new ATOM 0 HD2 PHE A 92 29.524 10.743 9.935 1.00 0.26 H new ATOM 0 HE1 PHE A 92 25.465 7.896 10.155 1.00 0.14 H new ATOM 0 HE2 PHE A 92 29.747 8.284 10.165 1.00 0.24 H new ATOM 0 HZ PHE A 92 27.711 6.868 10.301 1.00 0.17 H new ATOM 1415 N ASP A 93 26.846 15.154 11.326 1.00 0.35 N ATOM 1416 CA ASP A 93 27.295 16.576 11.461 1.00 0.46 C ATOM 1417 C ASP A 93 26.363 17.316 12.427 1.00 1.48 C ATOM 1418 O ASP A 93 25.636 18.204 12.031 1.00 2.14 O ATOM 1419 CB ASP A 93 27.224 17.258 10.096 1.00 1.27 C ATOM 1420 CG ASP A 93 27.656 18.720 10.229 1.00 1.37 C ATOM 1421 OD1 ASP A 93 28.581 18.978 10.980 1.00 1.59 O ATOM 1422 OD2 ASP A 93 27.053 19.557 9.579 1.00 2.09 O ATOM 0 H ASP A 93 25.836 15.034 11.249 1.00 0.35 H new ATOM 0 HA ASP A 93 28.317 16.598 11.840 1.00 0.46 H new ATOM 0 HB2 ASP A 93 27.869 16.741 9.386 1.00 1.27 H new ATOM 0 HB3 ASP A 93 26.209 17.203 9.703 1.00 1.27 H new ATOM 1427 N LYS A 94 26.367 16.961 13.689 1.00 2.03 N ATOM 1428 CA LYS A 94 25.466 17.664 14.652 1.00 3.17 C ATOM 1429 C LYS A 94 26.084 18.992 15.078 1.00 3.03 C ATOM 1430 O LYS A 94 25.810 20.026 14.498 1.00 4.05 O ATOM 1431 CB LYS A 94 25.160 16.753 15.867 1.00 4.16 C ATOM 1432 CG LYS A 94 23.966 15.843 15.551 1.00 4.87 C ATOM 1433 CD LYS A 94 23.685 14.918 16.746 1.00 5.70 C ATOM 1434 CE LYS A 94 22.997 15.693 17.878 1.00 7.11 C ATOM 1435 NZ LYS A 94 22.374 14.728 18.829 1.00 7.66 N ATOM 0 H LYS A 94 26.948 16.224 14.089 1.00 2.03 H new ATOM 0 HA LYS A 94 24.518 17.884 14.162 1.00 3.17 H new ATOM 0 HB2 LYS A 94 26.035 16.149 16.109 1.00 4.16 H new ATOM 0 HB3 LYS A 94 24.941 17.363 16.744 1.00 4.16 H new ATOM 0 HG2 LYS A 94 23.085 16.447 15.332 1.00 4.87 H new ATOM 0 HG3 LYS A 94 24.175 15.249 14.661 1.00 4.87 H new ATOM 0 HD2 LYS A 94 23.053 14.088 16.430 1.00 5.70 H new ATOM 0 HD3 LYS A 94 24.619 14.488 17.108 1.00 5.70 H new ATOM 0 HE2 LYS A 94 23.722 16.318 18.399 1.00 7.11 H new ATOM 0 HE3 LYS A 94 22.238 16.359 17.469 1.00 7.11 H new ATOM 0 HZ1 LYS A 94 21.907 15.250 19.597 1.00 7.66 H new ATOM 0 HZ2 LYS A 94 21.671 14.150 18.326 1.00 7.66 H new ATOM 0 HZ3 LYS A 94 23.109 14.110 19.228 1.00 7.66 H new ATOM 1449 N ASP A 95 26.915 18.975 16.070 1.00 2.61 N ATOM 1450 CA ASP A 95 27.573 20.218 16.549 1.00 2.51 C ATOM 1451 C ASP A 95 29.056 20.077 16.275 1.00 1.21 C ATOM 1452 O ASP A 95 29.887 20.647 16.953 1.00 1.97 O ATOM 1453 CB ASP A 95 27.360 20.341 18.048 1.00 4.65 C ATOM 1454 CG ASP A 95 25.907 20.724 18.334 1.00 6.29 C ATOM 1455 OD1 ASP A 95 25.174 20.937 17.382 1.00 7.05 O ATOM 1456 OD2 ASP A 95 25.553 20.798 19.499 1.00 6.98 O ATOM 0 H ASP A 95 27.175 18.133 16.584 1.00 2.61 H new ATOM 0 HA ASP A 95 27.163 21.096 16.049 1.00 2.51 H new ATOM 0 HB2 ASP A 95 27.600 19.397 18.538 1.00 4.65 H new ATOM 0 HB3 ASP A 95 28.032 21.094 18.460 1.00 4.65 H new ATOM 1461 N GLY A 96 29.390 19.299 15.295 1.00 1.60 N ATOM 1462 CA GLY A 96 30.827 19.094 14.985 1.00 3.91 C ATOM 1463 C GLY A 96 31.378 20.342 14.287 1.00 3.93 C ATOM 1464 O GLY A 96 31.818 21.269 14.937 1.00 4.85 O ATOM 0 H GLY A 96 28.736 18.796 14.695 1.00 1.60 H new ATOM 0 HA2 GLY A 96 31.384 18.900 15.901 1.00 3.91 H new ATOM 0 HA3 GLY A 96 30.952 18.220 14.345 1.00 3.91 H new ATOM 1468 N ASN A 97 31.374 20.378 12.973 1.00 2.96 N ATOM 1469 CA ASN A 97 31.918 21.581 12.257 1.00 2.92 C ATOM 1470 C ASN A 97 31.059 21.923 11.033 1.00 2.54 C ATOM 1471 O ASN A 97 31.558 22.450 10.061 1.00 3.01 O ATOM 1472 CB ASN A 97 33.345 21.277 11.798 1.00 2.90 C ATOM 1473 CG ASN A 97 34.050 22.578 11.408 1.00 3.01 C ATOM 1474 OD1 ASN A 97 35.259 22.618 11.295 1.00 4.12 O ATOM 1475 ND2 ASN A 97 33.340 23.653 11.194 1.00 1.93 N ATOM 0 H ASN A 97 31.021 19.635 12.370 1.00 2.96 H new ATOM 0 HA ASN A 97 31.906 22.432 12.938 1.00 2.92 H new ATOM 0 HB2 ASN A 97 33.896 20.779 12.596 1.00 2.90 H new ATOM 0 HB3 ASN A 97 33.326 20.594 10.949 1.00 2.90 H new ATOM 0 HD21 ASN A 97 33.801 24.525 10.932 1.00 1.93 H new ATOM 0 HD22 ASN A 97 32.325 23.621 11.288 1.00 1.93 H new ATOM 1482 N GLY A 98 29.785 21.631 11.050 1.00 1.97 N ATOM 1483 CA GLY A 98 28.935 21.945 9.861 1.00 1.97 C ATOM 1484 C GLY A 98 29.406 21.128 8.653 1.00 1.39 C ATOM 1485 O GLY A 98 28.760 21.083 7.626 1.00 1.40 O ATOM 0 H GLY A 98 29.297 21.191 11.830 1.00 1.97 H new ATOM 0 HA2 GLY A 98 27.891 21.719 10.079 1.00 1.97 H new ATOM 0 HA3 GLY A 98 28.990 23.010 9.635 1.00 1.97 H new ATOM 1489 N TYR A 99 30.530 20.478 8.781 1.00 1.01 N ATOM 1490 CA TYR A 99 31.079 19.646 7.666 1.00 0.43 C ATOM 1491 C TYR A 99 31.531 18.303 8.241 1.00 0.29 C ATOM 1492 O TYR A 99 31.646 18.146 9.441 1.00 0.30 O ATOM 1493 CB TYR A 99 32.284 20.358 7.041 1.00 0.37 C ATOM 1494 CG TYR A 99 31.810 21.482 6.148 1.00 0.31 C ATOM 1495 CD1 TYR A 99 31.297 22.653 6.713 1.00 0.62 C ATOM 1496 CD2 TYR A 99 31.890 21.353 4.757 1.00 1.02 C ATOM 1497 CE1 TYR A 99 30.862 23.697 5.886 1.00 0.61 C ATOM 1498 CE2 TYR A 99 31.457 22.396 3.930 1.00 1.00 C ATOM 1499 CZ TYR A 99 30.943 23.568 4.495 1.00 0.23 C ATOM 1500 OH TYR A 99 30.514 24.598 3.680 1.00 0.21 O ATOM 0 H TYR A 99 31.103 20.487 9.625 1.00 1.01 H new ATOM 0 HA TYR A 99 30.315 19.494 6.903 1.00 0.43 H new ATOM 0 HB2 TYR A 99 32.931 20.752 7.824 1.00 0.37 H new ATOM 0 HB3 TYR A 99 32.878 19.649 6.464 1.00 0.37 H new ATOM 0 HD1 TYR A 99 31.236 22.753 7.787 1.00 0.62 H new ATOM 0 HD2 TYR A 99 32.286 20.448 4.321 1.00 1.02 H new ATOM 0 HE1 TYR A 99 30.464 24.601 6.322 1.00 0.61 H new ATOM 0 HE2 TYR A 99 31.520 22.296 2.856 1.00 1.00 H new ATOM 0 HH TYR A 99 30.641 24.347 2.741 1.00 0.21 H new ATOM 1510 N ILE A 100 31.796 17.335 7.399 1.00 0.21 N ATOM 1511 CA ILE A 100 32.248 15.997 7.904 1.00 0.11 C ATOM 1512 C ILE A 100 33.356 15.431 7.003 1.00 0.10 C ATOM 1513 O ILE A 100 33.636 15.954 5.939 1.00 0.20 O ATOM 1514 CB ILE A 100 31.067 15.020 7.945 1.00 0.15 C ATOM 1515 CG1 ILE A 100 30.201 15.147 6.680 1.00 0.51 C ATOM 1516 CG2 ILE A 100 30.213 15.274 9.196 1.00 0.27 C ATOM 1517 CD1 ILE A 100 29.109 14.059 6.671 1.00 0.42 C ATOM 0 H ILE A 100 31.720 17.411 6.385 1.00 0.21 H new ATOM 0 HA ILE A 100 32.642 16.125 8.912 1.00 0.11 H new ATOM 0 HB ILE A 100 31.466 14.007 7.985 1.00 0.15 H new ATOM 0 HG12 ILE A 100 29.741 16.134 6.643 1.00 0.51 H new ATOM 0 HG13 ILE A 100 30.826 15.053 5.792 1.00 0.51 H new ATOM 0 HG21 ILE A 100 29.377 14.574 9.214 1.00 0.27 H new ATOM 0 HG22 ILE A 100 30.824 15.134 10.088 1.00 0.27 H new ATOM 0 HG23 ILE A 100 29.831 16.295 9.175 1.00 0.27 H new ATOM 0 HD11 ILE A 100 28.503 14.159 5.771 1.00 0.42 H new ATOM 0 HD12 ILE A 100 29.576 13.074 6.686 1.00 0.42 H new ATOM 0 HD13 ILE A 100 28.475 14.173 7.550 1.00 0.42 H new ATOM 1529 N SER A 101 33.998 14.364 7.428 1.00 0.17 N ATOM 1530 CA SER A 101 35.095 13.768 6.607 1.00 0.20 C ATOM 1531 C SER A 101 34.520 12.884 5.499 1.00 0.17 C ATOM 1532 O SER A 101 33.557 12.169 5.693 1.00 0.24 O ATOM 1533 CB SER A 101 36.015 12.944 7.505 1.00 0.31 C ATOM 1534 OG SER A 101 35.294 11.847 8.046 1.00 0.35 O ATOM 0 H SER A 101 33.807 13.884 8.307 1.00 0.17 H new ATOM 0 HA SER A 101 35.664 14.574 6.144 1.00 0.20 H new ATOM 0 HB2 SER A 101 36.871 12.584 6.934 1.00 0.31 H new ATOM 0 HB3 SER A 101 36.408 13.566 8.309 1.00 0.31 H new ATOM 0 HG SER A 101 35.886 11.318 8.621 1.00 0.35 H new ATOM 1540 N ALA A 102 35.113 12.930 4.334 1.00 0.14 N ATOM 1541 CA ALA A 102 34.623 12.095 3.198 1.00 0.17 C ATOM 1542 C ALA A 102 34.298 10.679 3.675 1.00 0.23 C ATOM 1543 O ALA A 102 33.361 10.060 3.215 1.00 0.27 O ATOM 1544 CB ALA A 102 35.711 12.019 2.128 1.00 0.16 C ATOM 0 H ALA A 102 35.921 13.514 4.120 1.00 0.14 H new ATOM 0 HA ALA A 102 33.720 12.549 2.791 1.00 0.17 H new ATOM 0 HB1 ALA A 102 35.360 11.410 1.295 1.00 0.16 H new ATOM 0 HB2 ALA A 102 35.942 13.023 1.772 1.00 0.16 H new ATOM 0 HB3 ALA A 102 36.608 11.569 2.553 1.00 0.16 H new ATOM 1550 N ALA A 103 35.067 10.155 4.586 1.00 0.29 N ATOM 1551 CA ALA A 103 34.798 8.776 5.079 1.00 0.36 C ATOM 1552 C ALA A 103 33.458 8.752 5.800 1.00 0.29 C ATOM 1553 O ALA A 103 32.488 8.214 5.313 1.00 0.43 O ATOM 1554 CB ALA A 103 35.909 8.346 6.040 1.00 0.46 C ATOM 0 H ALA A 103 35.869 10.620 5.010 1.00 0.29 H new ATOM 0 HA ALA A 103 34.770 8.087 4.235 1.00 0.36 H new ATOM 0 HB1 ALA A 103 35.709 7.336 6.399 1.00 0.46 H new ATOM 0 HB2 ALA A 103 36.867 8.363 5.520 1.00 0.46 H new ATOM 0 HB3 ALA A 103 35.943 9.032 6.887 1.00 0.46 H new ATOM 1560 N GLU A 104 33.400 9.339 6.953 1.00 0.37 N ATOM 1561 CA GLU A 104 32.123 9.366 7.720 1.00 0.39 C ATOM 1562 C GLU A 104 30.983 9.826 6.783 1.00 0.19 C ATOM 1563 O GLU A 104 29.835 9.482 6.984 1.00 0.16 O ATOM 1564 CB GLU A 104 32.309 10.270 8.957 1.00 0.70 C ATOM 1565 CG GLU A 104 31.970 11.714 8.662 1.00 1.36 C ATOM 1566 CD GLU A 104 32.228 12.539 9.926 1.00 0.95 C ATOM 1567 OE1 GLU A 104 31.635 12.226 10.945 1.00 0.99 O ATOM 1568 OE2 GLU A 104 33.013 13.470 9.855 1.00 0.72 O ATOM 0 H GLU A 104 34.185 9.807 7.406 1.00 0.37 H new ATOM 0 HA GLU A 104 31.848 8.376 8.085 1.00 0.39 H new ATOM 0 HB2 GLU A 104 31.677 9.908 9.768 1.00 0.70 H new ATOM 0 HB3 GLU A 104 33.341 10.203 9.302 1.00 0.70 H new ATOM 0 HG2 GLU A 104 32.577 12.085 7.836 1.00 1.36 H new ATOM 0 HG3 GLU A 104 30.928 11.804 8.357 1.00 1.36 H new ATOM 1575 N LEU A 105 31.294 10.557 5.731 1.00 0.17 N ATOM 1576 CA LEU A 105 30.223 10.971 4.766 1.00 0.26 C ATOM 1577 C LEU A 105 29.846 9.741 3.943 1.00 0.25 C ATOM 1578 O LEU A 105 28.692 9.387 3.825 1.00 0.33 O ATOM 1579 CB LEU A 105 30.750 12.089 3.844 1.00 0.38 C ATOM 1580 CG LEU A 105 29.844 12.262 2.563 1.00 0.28 C ATOM 1581 CD1 LEU A 105 29.389 13.719 2.339 1.00 0.31 C ATOM 1582 CD2 LEU A 105 30.608 11.810 1.320 1.00 0.38 C ATOM 0 H LEU A 105 32.234 10.881 5.503 1.00 0.17 H new ATOM 0 HA LEU A 105 29.352 11.355 5.297 1.00 0.26 H new ATOM 0 HB2 LEU A 105 30.785 13.029 4.395 1.00 0.38 H new ATOM 0 HB3 LEU A 105 31.771 11.859 3.540 1.00 0.38 H new ATOM 0 HG LEU A 105 28.958 11.649 2.731 1.00 0.28 H new ATOM 0 HD11 LEU A 105 28.770 13.773 1.444 1.00 0.31 H new ATOM 0 HD12 LEU A 105 28.812 14.057 3.200 1.00 0.31 H new ATOM 0 HD13 LEU A 105 30.263 14.358 2.215 1.00 0.31 H new ATOM 0 HD21 LEU A 105 29.976 11.932 0.440 1.00 0.38 H new ATOM 0 HD22 LEU A 105 31.509 12.414 1.207 1.00 0.38 H new ATOM 0 HD23 LEU A 105 30.885 10.761 1.425 1.00 0.38 H new ATOM 1594 N ARG A 106 30.817 9.074 3.393 1.00 0.26 N ATOM 1595 CA ARG A 106 30.528 7.859 2.604 1.00 0.41 C ATOM 1596 C ARG A 106 29.846 6.866 3.548 1.00 0.36 C ATOM 1597 O ARG A 106 29.030 6.058 3.149 1.00 0.41 O ATOM 1598 CB ARG A 106 31.874 7.318 2.061 1.00 0.51 C ATOM 1599 CG ARG A 106 32.015 5.812 2.292 1.00 1.42 C ATOM 1600 CD ARG A 106 33.230 5.285 1.529 1.00 1.42 C ATOM 1601 NE ARG A 106 32.943 5.314 0.065 1.00 1.70 N ATOM 1602 CZ ARG A 106 33.913 5.178 -0.795 1.00 1.65 C ATOM 1603 NH1 ARG A 106 35.138 5.019 -0.380 1.00 1.43 N ATOM 1604 NH2 ARG A 106 33.657 5.204 -2.075 1.00 2.72 N ATOM 0 H ARG A 106 31.804 9.323 3.459 1.00 0.26 H new ATOM 0 HA ARG A 106 29.871 8.045 1.754 1.00 0.41 H new ATOM 0 HB2 ARG A 106 31.948 7.531 0.995 1.00 0.51 H new ATOM 0 HB3 ARG A 106 32.698 7.839 2.548 1.00 0.51 H new ATOM 0 HG2 ARG A 106 32.125 5.606 3.357 1.00 1.42 H new ATOM 0 HG3 ARG A 106 31.113 5.297 1.960 1.00 1.42 H new ATOM 0 HD2 ARG A 106 34.106 5.894 1.752 1.00 1.42 H new ATOM 0 HD3 ARG A 106 33.460 4.268 1.846 1.00 1.42 H new ATOM 0 HE ARG A 106 31.986 5.441 -0.263 1.00 1.70 H new ATOM 0 HH11 ARG A 106 35.339 5.001 0.620 1.00 1.43 H new ATOM 0 HH12 ARG A 106 35.895 4.913 -1.055 1.00 1.43 H new ATOM 0 HH21 ARG A 106 32.699 5.331 -2.401 1.00 2.72 H new ATOM 0 HH22 ARG A 106 34.415 5.098 -2.749 1.00 2.72 H new ATOM 1618 N HIS A 107 30.192 6.932 4.802 1.00 0.28 N ATOM 1619 CA HIS A 107 29.596 6.016 5.798 1.00 0.27 C ATOM 1620 C HIS A 107 28.116 6.382 5.979 1.00 0.22 C ATOM 1621 O HIS A 107 27.266 5.524 6.082 1.00 0.23 O ATOM 1622 CB HIS A 107 30.373 6.177 7.113 1.00 0.26 C ATOM 1623 CG HIS A 107 30.302 4.903 7.912 1.00 0.41 C ATOM 1624 ND1 HIS A 107 31.068 3.793 7.591 1.00 0.61 N ATOM 1625 CD2 HIS A 107 29.572 4.547 9.007 1.00 0.52 C ATOM 1626 CE1 HIS A 107 30.779 2.828 8.486 1.00 0.77 C ATOM 1627 NE2 HIS A 107 29.870 3.238 9.372 1.00 0.72 N ATOM 0 H HIS A 107 30.872 7.592 5.179 1.00 0.28 H new ATOM 0 HA HIS A 107 29.655 4.977 5.474 1.00 0.27 H new ATOM 0 HB2 HIS A 107 31.413 6.426 6.902 1.00 0.26 H new ATOM 0 HB3 HIS A 107 29.958 7.002 7.691 1.00 0.26 H new ATOM 0 HD2 HIS A 107 28.866 5.187 9.516 1.00 0.52 H new ATOM 0 HE1 HIS A 107 31.227 1.845 8.486 1.00 0.77 H new ATOM 0 HE2 HIS A 107 29.478 2.706 10.149 1.00 0.72 H new ATOM 1635 N VAL A 108 27.797 7.652 5.983 1.00 0.18 N ATOM 1636 CA VAL A 108 26.366 8.064 6.116 1.00 0.16 C ATOM 1637 C VAL A 108 25.574 7.366 5.018 1.00 0.18 C ATOM 1638 O VAL A 108 24.436 6.981 5.193 1.00 0.20 O ATOM 1639 CB VAL A 108 26.223 9.580 5.884 1.00 0.16 C ATOM 1640 CG1 VAL A 108 24.726 9.953 5.802 1.00 0.16 C ATOM 1641 CG2 VAL A 108 26.895 10.362 7.027 1.00 0.16 C ATOM 0 H VAL A 108 28.464 8.420 5.900 1.00 0.18 H new ATOM 0 HA VAL A 108 26.009 7.804 7.112 1.00 0.16 H new ATOM 0 HB VAL A 108 26.714 9.842 4.947 1.00 0.16 H new ATOM 0 HG11 VAL A 108 24.627 11.026 5.638 1.00 0.16 H new ATOM 0 HG12 VAL A 108 24.262 9.415 4.975 1.00 0.16 H new ATOM 0 HG13 VAL A 108 24.232 9.681 6.735 1.00 0.16 H new ATOM 0 HG21 VAL A 108 26.786 11.432 6.849 1.00 0.16 H new ATOM 0 HG22 VAL A 108 26.422 10.101 7.974 1.00 0.16 H new ATOM 0 HG23 VAL A 108 27.954 10.107 7.069 1.00 0.16 H new ATOM 1651 N MET A 109 26.173 7.251 3.861 1.00 0.19 N ATOM 1652 CA MET A 109 25.463 6.637 2.712 1.00 0.22 C ATOM 1653 C MET A 109 25.346 5.112 2.895 1.00 0.25 C ATOM 1654 O MET A 109 24.397 4.504 2.442 1.00 0.29 O ATOM 1655 CB MET A 109 26.217 6.959 1.403 1.00 0.21 C ATOM 1656 CG MET A 109 26.486 8.470 1.295 1.00 0.09 C ATOM 1657 SD MET A 109 27.850 8.751 0.135 1.00 0.11 S ATOM 1658 CE MET A 109 26.885 8.656 -1.392 1.00 0.24 C ATOM 0 H MET A 109 27.126 7.558 3.667 1.00 0.19 H new ATOM 0 HA MET A 109 24.457 7.052 2.660 1.00 0.22 H new ATOM 0 HB2 MET A 109 27.160 6.413 1.375 1.00 0.21 H new ATOM 0 HB3 MET A 109 25.630 6.626 0.547 1.00 0.21 H new ATOM 0 HG2 MET A 109 25.590 8.988 0.953 1.00 0.09 H new ATOM 0 HG3 MET A 109 26.736 8.878 2.274 1.00 0.09 H new ATOM 0 HE1 MET A 109 27.559 8.662 -2.249 1.00 0.24 H new ATOM 0 HE2 MET A 109 26.300 7.736 -1.396 1.00 0.24 H new ATOM 0 HE3 MET A 109 26.214 9.513 -1.452 1.00 0.24 H new ATOM 1668 N THR A 110 26.305 4.480 3.536 1.00 0.24 N ATOM 1669 CA THR A 110 26.245 3.007 3.722 1.00 0.26 C ATOM 1670 C THR A 110 25.414 2.654 4.971 1.00 0.23 C ATOM 1671 O THR A 110 24.615 1.739 4.953 1.00 0.27 O ATOM 1672 CB THR A 110 27.699 2.501 3.867 1.00 0.26 C ATOM 1673 OG1 THR A 110 28.582 3.605 3.726 1.00 0.28 O ATOM 1674 CG2 THR A 110 28.023 1.469 2.785 1.00 0.34 C ATOM 0 H THR A 110 27.127 4.931 3.937 1.00 0.24 H new ATOM 0 HA THR A 110 25.762 2.531 2.869 1.00 0.26 H new ATOM 0 HB THR A 110 27.815 2.034 4.845 1.00 0.26 H new ATOM 0 HG1 THR A 110 29.508 3.297 3.817 1.00 0.28 H new ATOM 0 HG21 THR A 110 29.051 1.126 2.905 1.00 0.34 H new ATOM 0 HG22 THR A 110 27.344 0.621 2.876 1.00 0.34 H new ATOM 0 HG23 THR A 110 27.905 1.924 1.801 1.00 0.34 H new ATOM 1682 N ASN A 111 25.611 3.358 6.054 1.00 0.17 N ATOM 1683 CA ASN A 111 24.847 3.043 7.296 1.00 0.20 C ATOM 1684 C ASN A 111 23.359 3.271 7.061 1.00 0.31 C ATOM 1685 O ASN A 111 22.520 2.669 7.701 1.00 0.45 O ATOM 1686 CB ASN A 111 25.333 3.944 8.435 1.00 0.19 C ATOM 1687 CG ASN A 111 24.618 3.558 9.735 1.00 0.56 C ATOM 1688 OD1 ASN A 111 23.767 4.283 10.211 1.00 1.34 O ATOM 1689 ND2 ASN A 111 24.932 2.442 10.330 1.00 0.74 N ATOM 0 H ASN A 111 26.266 4.136 6.132 1.00 0.17 H new ATOM 0 HA ASN A 111 25.009 1.999 7.563 1.00 0.20 H new ATOM 0 HB2 ASN A 111 26.411 3.843 8.557 1.00 0.19 H new ATOM 0 HB3 ASN A 111 25.135 4.989 8.196 1.00 0.19 H new ATOM 0 HD21 ASN A 111 24.463 2.176 11.196 1.00 0.74 H new ATOM 0 HD22 ASN A 111 25.646 1.834 9.930 1.00 0.74 H new ATOM 1696 N LEU A 112 23.026 4.139 6.159 1.00 0.24 N ATOM 1697 CA LEU A 112 21.585 4.412 5.890 1.00 0.34 C ATOM 1698 C LEU A 112 20.891 3.128 5.441 1.00 0.48 C ATOM 1699 O LEU A 112 19.706 2.940 5.634 1.00 0.61 O ATOM 1700 CB LEU A 112 21.454 5.501 4.807 1.00 0.26 C ATOM 1701 CG LEU A 112 21.404 6.893 5.461 1.00 0.24 C ATOM 1702 CD1 LEU A 112 21.478 7.968 4.370 1.00 0.19 C ATOM 1703 CD2 LEU A 112 20.106 7.060 6.293 1.00 0.42 C ATOM 0 H LEU A 112 23.684 4.675 5.593 1.00 0.24 H new ATOM 0 HA LEU A 112 21.107 4.767 6.803 1.00 0.34 H new ATOM 0 HB2 LEU A 112 22.297 5.444 4.119 1.00 0.26 H new ATOM 0 HB3 LEU A 112 20.551 5.334 4.219 1.00 0.26 H new ATOM 0 HG LEU A 112 22.254 7.001 6.135 1.00 0.24 H new ATOM 0 HD11 LEU A 112 21.443 8.956 4.830 1.00 0.19 H new ATOM 0 HD12 LEU A 112 22.410 7.859 3.815 1.00 0.19 H new ATOM 0 HD13 LEU A 112 20.634 7.854 3.689 1.00 0.19 H new ATOM 0 HD21 LEU A 112 20.090 8.051 6.747 1.00 0.42 H new ATOM 0 HD22 LEU A 112 19.239 6.945 5.642 1.00 0.42 H new ATOM 0 HD23 LEU A 112 20.075 6.302 7.075 1.00 0.42 H new ATOM 1715 N GLY A 113 21.631 2.256 4.854 1.00 0.47 N ATOM 1716 CA GLY A 113 21.063 0.956 4.377 1.00 0.64 C ATOM 1717 C GLY A 113 20.656 1.077 2.909 1.00 0.47 C ATOM 1718 O GLY A 113 19.811 0.347 2.426 1.00 0.45 O ATOM 0 H GLY A 113 22.628 2.377 4.674 1.00 0.47 H new ATOM 0 HA2 GLY A 113 21.800 0.161 4.495 1.00 0.64 H new ATOM 0 HA3 GLY A 113 20.199 0.682 4.982 1.00 0.64 H new ATOM 1722 N GLU A 114 21.254 1.983 2.192 1.00 0.38 N ATOM 1723 CA GLU A 114 20.915 2.148 0.758 1.00 0.24 C ATOM 1724 C GLU A 114 21.651 1.062 -0.048 1.00 0.36 C ATOM 1725 O GLU A 114 22.775 0.718 0.263 1.00 0.54 O ATOM 1726 CB GLU A 114 21.358 3.540 0.301 1.00 0.18 C ATOM 1727 CG GLU A 114 20.444 4.598 0.929 1.00 0.29 C ATOM 1728 CD GLU A 114 21.014 5.991 0.664 1.00 1.30 C ATOM 1729 OE1 GLU A 114 21.887 6.405 1.409 1.00 2.36 O ATOM 1730 OE2 GLU A 114 20.567 6.621 -0.281 1.00 1.46 O ATOM 0 H GLU A 114 21.969 2.621 2.543 1.00 0.38 H new ATOM 0 HA GLU A 114 19.841 2.048 0.602 1.00 0.24 H new ATOM 0 HB2 GLU A 114 22.393 3.718 0.593 1.00 0.18 H new ATOM 0 HB3 GLU A 114 21.317 3.608 -0.786 1.00 0.18 H new ATOM 0 HG2 GLU A 114 19.440 4.520 0.512 1.00 0.29 H new ATOM 0 HG3 GLU A 114 20.358 4.428 2.002 1.00 0.29 H new ATOM 1737 N LYS A 115 21.039 0.499 -1.066 1.00 0.42 N ATOM 1738 CA LYS A 115 21.727 -0.569 -1.849 1.00 0.60 C ATOM 1739 C LYS A 115 22.631 0.060 -2.901 1.00 0.47 C ATOM 1740 O LYS A 115 22.731 -0.401 -4.021 1.00 0.65 O ATOM 1741 CB LYS A 115 20.688 -1.447 -2.537 1.00 0.89 C ATOM 1742 CG LYS A 115 20.048 -2.389 -1.514 1.00 1.08 C ATOM 1743 CD LYS A 115 18.804 -3.042 -2.126 1.00 1.11 C ATOM 1744 CE LYS A 115 19.212 -3.938 -3.297 1.00 1.55 C ATOM 1745 NZ LYS A 115 18.102 -4.885 -3.604 1.00 2.02 N ATOM 0 H LYS A 115 20.099 0.734 -1.384 1.00 0.42 H new ATOM 0 HA LYS A 115 22.329 -1.175 -1.172 1.00 0.60 H new ATOM 0 HB2 LYS A 115 19.923 -0.825 -3.001 1.00 0.89 H new ATOM 0 HB3 LYS A 115 21.156 -2.024 -3.334 1.00 0.89 H new ATOM 0 HG2 LYS A 115 20.763 -3.155 -1.213 1.00 1.08 H new ATOM 0 HG3 LYS A 115 19.776 -1.836 -0.615 1.00 1.08 H new ATOM 0 HD2 LYS A 115 18.282 -3.630 -1.371 1.00 1.11 H new ATOM 0 HD3 LYS A 115 18.110 -2.274 -2.468 1.00 1.11 H new ATOM 0 HE2 LYS A 115 19.439 -3.330 -4.173 1.00 1.55 H new ATOM 0 HE3 LYS A 115 20.118 -4.490 -3.048 1.00 1.55 H new ATOM 0 HZ1 LYS A 115 18.377 -5.496 -4.400 1.00 2.02 H new ATOM 0 HZ2 LYS A 115 17.906 -5.473 -2.769 1.00 2.02 H new ATOM 0 HZ3 LYS A 115 17.248 -4.348 -3.858 1.00 2.02 H new ATOM 1759 N LEU A 116 23.290 1.099 -2.532 1.00 0.24 N ATOM 1760 CA LEU A 116 24.218 1.786 -3.482 1.00 0.24 C ATOM 1761 C LEU A 116 25.547 1.028 -3.520 1.00 0.17 C ATOM 1762 O LEU A 116 26.045 0.578 -2.507 1.00 0.06 O ATOM 1763 CB LEU A 116 24.470 3.232 -3.032 1.00 0.23 C ATOM 1764 CG LEU A 116 23.175 4.058 -3.156 1.00 1.13 C ATOM 1765 CD1 LEU A 116 23.263 5.294 -2.257 1.00 1.57 C ATOM 1766 CD2 LEU A 116 22.964 4.511 -4.608 1.00 1.63 C ATOM 0 H LEU A 116 23.235 1.519 -1.604 1.00 0.24 H new ATOM 0 HA LEU A 116 23.766 1.800 -4.474 1.00 0.24 H new ATOM 0 HB2 LEU A 116 24.821 3.244 -2.000 1.00 0.23 H new ATOM 0 HB3 LEU A 116 25.256 3.679 -3.641 1.00 0.23 H new ATOM 0 HG LEU A 116 22.336 3.433 -2.849 1.00 1.13 H new ATOM 0 HD11 LEU A 116 22.346 5.876 -2.347 1.00 1.57 H new ATOM 0 HD12 LEU A 116 23.394 4.982 -1.221 1.00 1.57 H new ATOM 0 HD13 LEU A 116 24.112 5.906 -2.562 1.00 1.57 H new ATOM 0 HD21 LEU A 116 22.045 5.093 -4.678 1.00 1.63 H new ATOM 0 HD22 LEU A 116 23.807 5.125 -4.924 1.00 1.63 H new ATOM 0 HD23 LEU A 116 22.890 3.637 -5.255 1.00 1.63 H new ATOM 1778 N THR A 117 26.125 0.881 -4.683 1.00 0.28 N ATOM 1779 CA THR A 117 27.422 0.147 -4.787 1.00 0.27 C ATOM 1780 C THR A 117 28.578 1.116 -4.543 1.00 0.26 C ATOM 1781 O THR A 117 28.501 2.284 -4.862 1.00 0.27 O ATOM 1782 CB THR A 117 27.556 -0.455 -6.187 1.00 0.30 C ATOM 1783 OG1 THR A 117 27.427 0.574 -7.157 1.00 0.35 O ATOM 1784 CG2 THR A 117 26.464 -1.506 -6.401 1.00 0.29 C ATOM 0 H THR A 117 25.756 1.237 -5.565 1.00 0.28 H new ATOM 0 HA THR A 117 27.448 -0.648 -4.042 1.00 0.27 H new ATOM 0 HB THR A 117 28.533 -0.928 -6.288 1.00 0.30 H new ATOM 0 HG1 THR A 117 26.492 0.637 -7.445 1.00 0.35 H new ATOM 0 HG21 THR A 117 26.561 -1.934 -7.399 1.00 0.29 H new ATOM 0 HG22 THR A 117 26.568 -2.295 -5.656 1.00 0.29 H new ATOM 0 HG23 THR A 117 25.484 -1.039 -6.300 1.00 0.29 H new ATOM 1792 N ASP A 118 29.654 0.636 -3.982 1.00 0.27 N ATOM 1793 CA ASP A 118 30.818 1.527 -3.722 1.00 0.25 C ATOM 1794 C ASP A 118 31.218 2.238 -5.016 1.00 0.29 C ATOM 1795 O ASP A 118 31.689 3.360 -4.999 1.00 0.42 O ATOM 1796 CB ASP A 118 31.998 0.691 -3.214 1.00 0.28 C ATOM 1797 CG ASP A 118 31.534 -0.196 -2.056 1.00 0.57 C ATOM 1798 OD1 ASP A 118 31.032 -1.274 -2.326 1.00 1.94 O ATOM 1799 OD2 ASP A 118 31.693 0.217 -0.920 1.00 0.58 O ATOM 0 H ASP A 118 29.777 -0.334 -3.693 1.00 0.27 H new ATOM 0 HA ASP A 118 30.546 2.268 -2.970 1.00 0.25 H new ATOM 0 HB2 ASP A 118 32.395 0.075 -4.021 1.00 0.28 H new ATOM 0 HB3 ASP A 118 32.805 1.345 -2.884 1.00 0.28 H new ATOM 1804 N GLU A 119 31.036 1.601 -6.140 1.00 0.21 N ATOM 1805 CA GLU A 119 31.408 2.246 -7.432 1.00 0.25 C ATOM 1806 C GLU A 119 30.579 3.518 -7.627 1.00 0.23 C ATOM 1807 O GLU A 119 31.110 4.581 -7.881 1.00 0.26 O ATOM 1808 CB GLU A 119 31.135 1.276 -8.587 1.00 0.36 C ATOM 1809 CG GLU A 119 32.100 0.091 -8.502 1.00 0.32 C ATOM 1810 CD GLU A 119 31.685 -0.822 -7.347 1.00 0.90 C ATOM 1811 OE1 GLU A 119 30.578 -1.335 -7.389 1.00 1.57 O ATOM 1812 OE2 GLU A 119 32.483 -0.995 -6.440 1.00 1.86 O ATOM 0 H GLU A 119 30.646 0.662 -6.220 1.00 0.21 H new ATOM 0 HA GLU A 119 32.467 2.502 -7.416 1.00 0.25 H new ATOM 0 HB2 GLU A 119 30.105 0.923 -8.543 1.00 0.36 H new ATOM 0 HB3 GLU A 119 31.256 1.788 -9.542 1.00 0.36 H new ATOM 0 HG2 GLU A 119 32.094 -0.465 -9.440 1.00 0.32 H new ATOM 0 HG3 GLU A 119 33.119 0.448 -8.350 1.00 0.32 H new ATOM 1819 N GLU A 120 29.284 3.417 -7.510 1.00 0.24 N ATOM 1820 CA GLU A 120 28.426 4.623 -7.691 1.00 0.26 C ATOM 1821 C GLU A 120 28.946 5.752 -6.796 1.00 0.22 C ATOM 1822 O GLU A 120 28.872 6.914 -7.142 1.00 0.35 O ATOM 1823 CB GLU A 120 26.980 4.287 -7.310 1.00 0.26 C ATOM 1824 CG GLU A 120 26.322 3.490 -8.444 1.00 0.33 C ATOM 1825 CD GLU A 120 25.054 2.809 -7.921 1.00 0.19 C ATOM 1826 OE1 GLU A 120 24.055 3.493 -7.778 1.00 0.96 O ATOM 1827 OE2 GLU A 120 25.106 1.615 -7.675 1.00 0.68 O ATOM 0 H GLU A 120 28.783 2.554 -7.297 1.00 0.24 H new ATOM 0 HA GLU A 120 28.457 4.941 -8.733 1.00 0.26 H new ATOM 0 HB2 GLU A 120 26.962 3.708 -6.387 1.00 0.26 H new ATOM 0 HB3 GLU A 120 26.420 5.203 -7.123 1.00 0.26 H new ATOM 0 HG2 GLU A 120 26.076 4.153 -9.273 1.00 0.33 H new ATOM 0 HG3 GLU A 120 27.017 2.743 -8.828 1.00 0.33 H new ATOM 1834 N VAL A 121 29.470 5.420 -5.649 1.00 0.08 N ATOM 1835 CA VAL A 121 29.994 6.472 -4.733 1.00 0.13 C ATOM 1836 C VAL A 121 31.279 7.063 -5.310 1.00 0.11 C ATOM 1837 O VAL A 121 31.480 8.261 -5.315 1.00 0.13 O ATOM 1838 CB VAL A 121 30.290 5.853 -3.365 1.00 0.18 C ATOM 1839 CG1 VAL A 121 30.896 6.912 -2.442 1.00 0.19 C ATOM 1840 CG2 VAL A 121 28.989 5.326 -2.752 1.00 0.42 C ATOM 0 H VAL A 121 29.558 4.464 -5.306 1.00 0.08 H new ATOM 0 HA VAL A 121 29.249 7.261 -4.626 1.00 0.13 H new ATOM 0 HB VAL A 121 30.996 5.031 -3.485 1.00 0.18 H new ATOM 0 HG11 VAL A 121 31.106 6.469 -1.468 1.00 0.19 H new ATOM 0 HG12 VAL A 121 31.822 7.287 -2.877 1.00 0.19 H new ATOM 0 HG13 VAL A 121 30.192 7.736 -2.322 1.00 0.19 H new ATOM 0 HG21 VAL A 121 29.198 4.885 -1.778 1.00 0.42 H new ATOM 0 HG22 VAL A 121 28.283 6.148 -2.634 1.00 0.42 H new ATOM 0 HG23 VAL A 121 28.558 4.569 -3.408 1.00 0.42 H new ATOM 1850 N ASP A 122 32.149 6.227 -5.788 1.00 0.09 N ATOM 1851 CA ASP A 122 33.432 6.723 -6.361 1.00 0.09 C ATOM 1852 C ASP A 122 33.149 7.795 -7.420 1.00 0.14 C ATOM 1853 O ASP A 122 33.834 8.794 -7.494 1.00 0.27 O ATOM 1854 CB ASP A 122 34.200 5.553 -6.993 1.00 0.06 C ATOM 1855 CG ASP A 122 34.886 4.737 -5.895 1.00 0.22 C ATOM 1856 OD1 ASP A 122 34.603 4.983 -4.735 1.00 1.01 O ATOM 1857 OD2 ASP A 122 35.685 3.879 -6.232 1.00 1.13 O ATOM 0 H ASP A 122 32.030 5.214 -5.808 1.00 0.09 H new ATOM 0 HA ASP A 122 34.036 7.161 -5.566 1.00 0.09 H new ATOM 0 HB2 ASP A 122 33.517 4.919 -7.558 1.00 0.06 H new ATOM 0 HB3 ASP A 122 34.942 5.930 -7.697 1.00 0.06 H new ATOM 1862 N GLU A 123 32.146 7.606 -8.239 1.00 0.08 N ATOM 1863 CA GLU A 123 31.842 8.635 -9.275 1.00 0.14 C ATOM 1864 C GLU A 123 31.338 9.902 -8.583 1.00 0.15 C ATOM 1865 O GLU A 123 31.648 11.007 -8.981 1.00 0.13 O ATOM 1866 CB GLU A 123 30.769 8.108 -10.236 1.00 0.20 C ATOM 1867 CG GLU A 123 31.374 7.050 -11.164 1.00 1.50 C ATOM 1868 CD GLU A 123 31.669 5.778 -10.367 1.00 3.12 C ATOM 1869 OE1 GLU A 123 32.733 5.705 -9.776 1.00 4.27 O ATOM 1870 OE2 GLU A 123 30.823 4.898 -10.361 1.00 3.71 O ATOM 0 H GLU A 123 31.531 6.792 -8.235 1.00 0.08 H new ATOM 0 HA GLU A 123 32.744 8.859 -9.844 1.00 0.14 H new ATOM 0 HB2 GLU A 123 29.942 7.678 -9.671 1.00 0.20 H new ATOM 0 HB3 GLU A 123 30.360 8.929 -10.824 1.00 0.20 H new ATOM 0 HG2 GLU A 123 30.685 6.829 -11.979 1.00 1.50 H new ATOM 0 HG3 GLU A 123 32.291 7.429 -11.616 1.00 1.50 H new ATOM 1877 N MET A 124 30.572 9.747 -7.538 1.00 0.18 N ATOM 1878 CA MET A 124 30.057 10.932 -6.804 1.00 0.19 C ATOM 1879 C MET A 124 31.226 11.650 -6.118 1.00 0.20 C ATOM 1880 O MET A 124 31.221 12.854 -5.957 1.00 0.21 O ATOM 1881 CB MET A 124 29.021 10.473 -5.792 1.00 0.17 C ATOM 1882 CG MET A 124 27.819 9.881 -6.530 1.00 0.20 C ATOM 1883 SD MET A 124 26.711 9.087 -5.339 1.00 0.32 S ATOM 1884 CE MET A 124 25.554 8.380 -6.535 1.00 0.41 C ATOM 0 H MET A 124 30.281 8.845 -7.161 1.00 0.18 H new ATOM 0 HA MET A 124 29.583 11.633 -7.491 1.00 0.19 H new ATOM 0 HB2 MET A 124 29.454 9.729 -5.123 1.00 0.17 H new ATOM 0 HB3 MET A 124 28.704 11.312 -5.173 1.00 0.17 H new ATOM 0 HG2 MET A 124 27.288 10.665 -7.070 1.00 0.20 H new ATOM 0 HG3 MET A 124 28.155 9.155 -7.270 1.00 0.20 H new ATOM 0 HE1 MET A 124 24.974 7.590 -6.057 1.00 0.41 H new ATOM 0 HE2 MET A 124 24.881 9.158 -6.894 1.00 0.41 H new ATOM 0 HE3 MET A 124 26.109 7.964 -7.376 1.00 0.41 H new ATOM 1894 N ILE A 125 32.239 10.920 -5.737 1.00 0.21 N ATOM 1895 CA ILE A 125 33.431 11.547 -5.090 1.00 0.22 C ATOM 1896 C ILE A 125 34.266 12.275 -6.158 1.00 0.23 C ATOM 1897 O ILE A 125 34.981 13.213 -5.867 1.00 0.25 O ATOM 1898 CB ILE A 125 34.264 10.433 -4.433 1.00 0.20 C ATOM 1899 CG1 ILE A 125 33.532 9.940 -3.178 1.00 0.18 C ATOM 1900 CG2 ILE A 125 35.654 10.953 -4.043 1.00 0.23 C ATOM 1901 CD1 ILE A 125 34.219 8.689 -2.627 1.00 0.14 C ATOM 0 H ILE A 125 32.294 9.907 -5.847 1.00 0.21 H new ATOM 0 HA ILE A 125 33.122 12.270 -4.335 1.00 0.22 H new ATOM 0 HB ILE A 125 34.388 9.616 -5.144 1.00 0.20 H new ATOM 0 HG12 ILE A 125 33.524 10.724 -2.420 1.00 0.18 H new ATOM 0 HG13 ILE A 125 32.492 9.718 -3.418 1.00 0.18 H new ATOM 0 HG21 ILE A 125 36.226 10.149 -3.580 1.00 0.23 H new ATOM 0 HG22 ILE A 125 36.175 11.303 -4.934 1.00 0.23 H new ATOM 0 HG23 ILE A 125 35.549 11.777 -3.337 1.00 0.23 H new ATOM 0 HD11 ILE A 125 33.692 8.347 -1.736 1.00 0.14 H new ATOM 0 HD12 ILE A 125 34.204 7.903 -3.382 1.00 0.14 H new ATOM 0 HD13 ILE A 125 35.252 8.925 -2.369 1.00 0.14 H new ATOM 1913 N ARG A 126 34.184 11.843 -7.392 1.00 0.21 N ATOM 1914 CA ARG A 126 34.974 12.498 -8.479 1.00 0.20 C ATOM 1915 C ARG A 126 34.478 13.935 -8.710 1.00 0.13 C ATOM 1916 O ARG A 126 35.255 14.869 -8.711 1.00 0.14 O ATOM 1917 CB ARG A 126 34.830 11.679 -9.777 1.00 0.24 C ATOM 1918 CG ARG A 126 35.892 10.570 -9.818 1.00 0.49 C ATOM 1919 CD ARG A 126 35.762 9.749 -11.117 1.00 0.63 C ATOM 1920 NE ARG A 126 36.034 8.306 -10.826 1.00 1.28 N ATOM 1921 CZ ARG A 126 37.077 7.941 -10.127 1.00 1.45 C ATOM 1922 NH1 ARG A 126 38.001 8.808 -9.816 1.00 1.43 N ATOM 1923 NH2 ARG A 126 37.222 6.691 -9.785 1.00 2.21 N ATOM 0 H ARG A 126 33.602 11.062 -7.694 1.00 0.21 H new ATOM 0 HA ARG A 126 36.023 12.537 -8.185 1.00 0.20 H new ATOM 0 HB2 ARG A 126 33.833 11.242 -9.832 1.00 0.24 H new ATOM 0 HB3 ARG A 126 34.940 12.332 -10.643 1.00 0.24 H new ATOM 0 HG2 ARG A 126 36.888 11.009 -9.756 1.00 0.49 H new ATOM 0 HG3 ARG A 126 35.777 9.916 -8.954 1.00 0.49 H new ATOM 0 HD2 ARG A 126 34.762 9.864 -11.534 1.00 0.63 H new ATOM 0 HD3 ARG A 126 36.464 10.119 -11.865 1.00 0.63 H new ATOM 0 HE ARG A 126 35.394 7.595 -11.179 1.00 1.28 H new ATOM 0 HH11 ARG A 126 37.913 9.778 -10.118 1.00 1.43 H new ATOM 0 HH12 ARG A 126 38.812 8.516 -9.270 1.00 1.43 H new ATOM 0 HH21 ARG A 126 36.523 6.002 -10.063 1.00 2.21 H new ATOM 0 HH22 ARG A 126 38.034 6.402 -9.240 1.00 2.21 H new ATOM 1937 N GLU A 127 33.201 14.124 -8.929 1.00 0.09 N ATOM 1938 CA GLU A 127 32.700 15.513 -9.182 1.00 0.08 C ATOM 1939 C GLU A 127 32.560 16.276 -7.854 1.00 0.12 C ATOM 1940 O GLU A 127 32.517 17.491 -7.834 1.00 0.18 O ATOM 1941 CB GLU A 127 31.341 15.449 -9.901 1.00 0.14 C ATOM 1942 CG GLU A 127 31.561 15.179 -11.393 1.00 0.19 C ATOM 1943 CD GLU A 127 30.216 14.899 -12.067 1.00 0.83 C ATOM 1944 OE1 GLU A 127 29.202 15.057 -11.405 1.00 1.44 O ATOM 1945 OE2 GLU A 127 30.223 14.531 -13.229 1.00 1.26 O ATOM 0 H GLU A 127 32.492 13.391 -8.944 1.00 0.09 H new ATOM 0 HA GLU A 127 33.415 16.041 -9.813 1.00 0.08 H new ATOM 0 HB2 GLU A 127 30.725 14.662 -9.466 1.00 0.14 H new ATOM 0 HB3 GLU A 127 30.802 16.387 -9.766 1.00 0.14 H new ATOM 0 HG2 GLU A 127 32.042 16.038 -11.861 1.00 0.19 H new ATOM 0 HG3 GLU A 127 32.229 14.328 -11.524 1.00 0.19 H new ATOM 1952 N ALA A 128 32.546 15.586 -6.742 1.00 0.08 N ATOM 1953 CA ALA A 128 32.480 16.264 -5.432 1.00 0.13 C ATOM 1954 C ALA A 128 33.909 16.492 -5.001 1.00 0.16 C ATOM 1955 O ALA A 128 34.444 15.718 -4.244 1.00 0.12 O ATOM 1956 CB ALA A 128 31.800 15.388 -4.392 1.00 0.08 C ATOM 0 H ALA A 128 32.578 14.568 -6.696 1.00 0.08 H new ATOM 0 HA ALA A 128 31.911 17.190 -5.518 1.00 0.13 H new ATOM 0 HB1 ALA A 128 31.767 15.915 -3.438 1.00 0.08 H new ATOM 0 HB2 ALA A 128 30.785 15.160 -4.716 1.00 0.08 H new ATOM 0 HB3 ALA A 128 32.361 14.461 -4.275 1.00 0.08 H new ATOM 1962 N ASP A 129 34.525 17.508 -5.515 1.00 0.24 N ATOM 1963 CA ASP A 129 35.974 17.801 -5.188 1.00 0.29 C ATOM 1964 C ASP A 129 36.222 17.508 -3.706 1.00 0.25 C ATOM 1965 O ASP A 129 36.171 18.372 -2.853 1.00 0.26 O ATOM 1966 CB ASP A 129 36.308 19.278 -5.473 1.00 0.36 C ATOM 1967 CG ASP A 129 37.713 19.594 -4.955 1.00 1.75 C ATOM 1968 OD1 ASP A 129 38.621 18.840 -5.268 1.00 2.57 O ATOM 1969 OD2 ASP A 129 37.858 20.582 -4.254 1.00 2.74 O ATOM 0 H ASP A 129 34.095 18.170 -6.161 1.00 0.24 H new ATOM 0 HA ASP A 129 36.609 17.171 -5.811 1.00 0.29 H new ATOM 0 HB2 ASP A 129 36.251 19.474 -6.544 1.00 0.36 H new ATOM 0 HB3 ASP A 129 35.577 19.927 -4.991 1.00 0.36 H new ATOM 1974 N ILE A 130 36.431 16.258 -3.418 1.00 0.21 N ATOM 1975 CA ILE A 130 36.625 15.792 -2.021 1.00 0.16 C ATOM 1976 C ILE A 130 38.064 16.003 -1.553 1.00 0.25 C ATOM 1977 O ILE A 130 38.435 15.683 -0.439 1.00 0.34 O ATOM 1978 CB ILE A 130 36.242 14.295 -2.015 1.00 0.14 C ATOM 1979 CG1 ILE A 130 34.673 14.122 -1.977 1.00 0.11 C ATOM 1980 CG2 ILE A 130 36.953 13.560 -0.876 1.00 0.19 C ATOM 1981 CD1 ILE A 130 34.223 13.118 -0.897 1.00 0.20 C ATOM 0 H ILE A 130 36.477 15.516 -4.116 1.00 0.21 H new ATOM 0 HA ILE A 130 36.005 16.361 -1.328 1.00 0.16 H new ATOM 0 HB ILE A 130 36.583 13.835 -2.942 1.00 0.14 H new ATOM 0 HG12 ILE A 130 34.207 15.089 -1.788 1.00 0.11 H new ATOM 0 HG13 ILE A 130 34.323 13.785 -2.953 1.00 0.11 H new ATOM 0 HG21 ILE A 130 36.670 12.508 -0.889 1.00 0.19 H new ATOM 0 HG22 ILE A 130 38.032 13.647 -1.004 1.00 0.19 H new ATOM 0 HG23 ILE A 130 36.664 14.001 0.078 1.00 0.19 H new ATOM 0 HD11 ILE A 130 33.136 13.033 -0.909 1.00 0.20 H new ATOM 0 HD12 ILE A 130 34.666 12.143 -1.100 1.00 0.20 H new ATOM 0 HD13 ILE A 130 34.548 13.468 0.083 1.00 0.20 H new ATOM 1993 N ASP A 131 38.839 16.560 -2.384 1.00 0.34 N ATOM 1994 CA ASP A 131 40.254 16.850 -2.076 1.00 0.42 C ATOM 1995 C ASP A 131 40.392 18.355 -2.022 1.00 0.64 C ATOM 1996 O ASP A 131 39.438 19.067 -1.768 1.00 0.71 O ATOM 1997 CB ASP A 131 41.162 16.258 -3.171 1.00 0.42 C ATOM 1998 CG ASP A 131 42.614 16.256 -2.684 1.00 0.45 C ATOM 1999 OD1 ASP A 131 42.854 15.739 -1.606 1.00 0.80 O ATOM 2000 OD2 ASP A 131 43.457 16.774 -3.395 1.00 1.44 O ATOM 0 H ASP A 131 38.550 16.848 -3.319 1.00 0.34 H new ATOM 0 HA ASP A 131 40.552 16.405 -1.127 1.00 0.42 H new ATOM 0 HB2 ASP A 131 40.846 15.243 -3.411 1.00 0.42 H new ATOM 0 HB3 ASP A 131 41.075 16.843 -4.086 1.00 0.42 H new ATOM 2005 N GLY A 132 41.550 18.851 -2.239 1.00 0.76 N ATOM 2006 CA GLY A 132 41.744 20.319 -2.174 1.00 0.97 C ATOM 2007 C GLY A 132 41.608 20.765 -0.716 1.00 0.87 C ATOM 2008 O GLY A 132 42.184 21.754 -0.305 1.00 1.00 O ATOM 0 H GLY A 132 42.385 18.310 -2.461 1.00 0.76 H new ATOM 0 HA2 GLY A 132 42.726 20.588 -2.562 1.00 0.97 H new ATOM 0 HA3 GLY A 132 41.006 20.826 -2.795 1.00 0.97 H new ATOM 2012 N ASP A 133 40.849 20.037 0.077 1.00 0.63 N ATOM 2013 CA ASP A 133 40.673 20.408 1.517 1.00 0.52 C ATOM 2014 C ASP A 133 40.781 19.149 2.381 1.00 0.27 C ATOM 2015 O ASP A 133 41.825 18.846 2.928 1.00 0.15 O ATOM 2016 CB ASP A 133 39.294 21.043 1.712 1.00 0.65 C ATOM 2017 CG ASP A 133 39.179 22.299 0.845 1.00 1.62 C ATOM 2018 OD1 ASP A 133 40.190 22.953 0.649 1.00 1.87 O ATOM 2019 OD2 ASP A 133 38.084 22.582 0.390 1.00 2.81 O ATOM 0 H ASP A 133 40.344 19.200 -0.216 1.00 0.63 H new ATOM 0 HA ASP A 133 41.446 21.119 1.810 1.00 0.52 H new ATOM 0 HB2 ASP A 133 38.514 20.331 1.444 1.00 0.65 H new ATOM 0 HB3 ASP A 133 39.145 21.298 2.761 1.00 0.65 H new ATOM 2024 N GLY A 134 39.712 18.411 2.507 1.00 0.22 N ATOM 2025 CA GLY A 134 39.750 17.166 3.335 1.00 0.18 C ATOM 2026 C GLY A 134 38.346 16.858 3.863 1.00 0.19 C ATOM 2027 O GLY A 134 37.980 15.714 4.047 1.00 0.26 O ATOM 0 H GLY A 134 38.812 18.614 2.073 1.00 0.22 H new ATOM 0 HA2 GLY A 134 40.116 16.331 2.738 1.00 0.18 H new ATOM 0 HA3 GLY A 134 40.443 17.291 4.167 1.00 0.18 H new ATOM 2031 N GLN A 135 37.561 17.877 4.099 1.00 0.15 N ATOM 2032 CA GLN A 135 36.164 17.679 4.608 1.00 0.17 C ATOM 2033 C GLN A 135 35.186 18.196 3.554 1.00 0.16 C ATOM 2034 O GLN A 135 35.517 19.060 2.766 1.00 0.13 O ATOM 2035 CB GLN A 135 35.980 18.472 5.906 1.00 0.19 C ATOM 2036 CG GLN A 135 37.141 18.174 6.868 1.00 0.43 C ATOM 2037 CD GLN A 135 36.713 18.473 8.307 1.00 0.54 C ATOM 2038 OE1 GLN A 135 36.567 17.572 9.110 1.00 1.32 O ATOM 2039 NE2 GLN A 135 36.503 19.709 8.670 1.00 0.42 N ATOM 0 H GLN A 135 37.829 18.851 3.960 1.00 0.15 H new ATOM 0 HA GLN A 135 35.981 16.622 4.803 1.00 0.17 H new ATOM 0 HB2 GLN A 135 35.941 19.539 5.688 1.00 0.19 H new ATOM 0 HB3 GLN A 135 35.032 18.207 6.373 1.00 0.19 H new ATOM 0 HG2 GLN A 135 37.441 17.130 6.778 1.00 0.43 H new ATOM 0 HG3 GLN A 135 38.008 18.779 6.604 1.00 0.43 H new ATOM 0 HE21 GLN A 135 36.625 20.466 7.997 1.00 0.42 H new ATOM 0 HE22 GLN A 135 36.217 19.918 9.626 1.00 0.42 H new ATOM 2048 N VAL A 136 33.987 17.669 3.510 1.00 0.21 N ATOM 2049 CA VAL A 136 33.002 18.120 2.486 1.00 0.21 C ATOM 2050 C VAL A 136 31.606 18.174 3.116 1.00 0.30 C ATOM 2051 O VAL A 136 31.281 17.393 3.989 1.00 0.35 O ATOM 2052 CB VAL A 136 32.995 17.094 1.342 1.00 0.16 C ATOM 2053 CG1 VAL A 136 32.536 17.727 0.019 1.00 0.14 C ATOM 2054 CG2 VAL A 136 34.399 16.515 1.159 1.00 0.11 C ATOM 0 H VAL A 136 33.650 16.944 4.143 1.00 0.21 H new ATOM 0 HA VAL A 136 33.271 19.108 2.112 1.00 0.21 H new ATOM 0 HB VAL A 136 32.292 16.304 1.608 1.00 0.16 H new ATOM 0 HG11 VAL A 136 32.543 16.972 -0.767 1.00 0.14 H new ATOM 0 HG12 VAL A 136 31.526 18.120 0.135 1.00 0.14 H new ATOM 0 HG13 VAL A 136 33.212 18.538 -0.250 1.00 0.14 H new ATOM 0 HG21 VAL A 136 34.390 15.788 0.347 1.00 0.11 H new ATOM 0 HG22 VAL A 136 35.095 17.318 0.919 1.00 0.11 H new ATOM 0 HG23 VAL A 136 34.714 16.025 2.081 1.00 0.11 H new ATOM 2064 N ASN A 137 30.768 19.056 2.655 1.00 0.34 N ATOM 2065 CA ASN A 137 29.385 19.115 3.202 1.00 0.44 C ATOM 2066 C ASN A 137 28.577 18.024 2.501 1.00 0.43 C ATOM 2067 O ASN A 137 29.068 17.366 1.604 1.00 0.78 O ATOM 2068 CB ASN A 137 28.774 20.502 2.953 1.00 0.52 C ATOM 2069 CG ASN A 137 27.248 20.453 3.087 1.00 1.48 C ATOM 2070 OD1 ASN A 137 26.541 20.384 2.100 1.00 1.56 O ATOM 2071 ND2 ASN A 137 26.710 20.486 4.274 1.00 2.48 N ATOM 0 H ASN A 137 30.979 19.737 1.926 1.00 0.34 H new ATOM 0 HA ASN A 137 29.382 18.952 4.280 1.00 0.44 H new ATOM 0 HB2 ASN A 137 29.184 21.219 3.665 1.00 0.52 H new ATOM 0 HB3 ASN A 137 29.046 20.851 1.957 1.00 0.52 H new ATOM 0 HD21 ASN A 137 25.696 20.454 4.375 1.00 2.48 H new ATOM 0 HD22 ASN A 137 27.304 20.544 5.102 1.00 2.48 H new ATOM 2078 N TYR A 138 27.363 17.798 2.920 1.00 0.41 N ATOM 2079 CA TYR A 138 26.534 16.706 2.302 1.00 0.39 C ATOM 2080 C TYR A 138 25.448 17.260 1.347 1.00 0.36 C ATOM 2081 O TYR A 138 25.038 16.568 0.443 1.00 0.31 O ATOM 2082 CB TYR A 138 25.876 15.880 3.433 1.00 0.46 C ATOM 2083 CG TYR A 138 25.654 16.762 4.642 1.00 0.28 C ATOM 2084 CD1 TYR A 138 26.732 17.084 5.480 1.00 0.86 C ATOM 2085 CD2 TYR A 138 24.380 17.272 4.912 1.00 1.09 C ATOM 2086 CE1 TYR A 138 26.530 17.917 6.587 1.00 1.06 C ATOM 2087 CE2 TYR A 138 24.177 18.098 6.021 1.00 0.89 C ATOM 2088 CZ TYR A 138 25.252 18.423 6.858 1.00 0.25 C ATOM 2089 OH TYR A 138 25.053 19.246 7.949 1.00 0.42 O ATOM 0 H TYR A 138 26.902 18.320 3.665 1.00 0.41 H new ATOM 0 HA TYR A 138 27.192 16.077 1.702 1.00 0.39 H new ATOM 0 HB2 TYR A 138 24.926 15.468 3.091 1.00 0.46 H new ATOM 0 HB3 TYR A 138 26.512 15.036 3.698 1.00 0.46 H new ATOM 0 HD1 TYR A 138 27.716 16.690 5.272 1.00 0.86 H new ATOM 0 HD2 TYR A 138 23.552 17.027 4.263 1.00 1.09 H new ATOM 0 HE1 TYR A 138 27.359 18.169 7.232 1.00 1.06 H new ATOM 0 HE2 TYR A 138 23.191 18.486 6.233 1.00 0.89 H new ATOM 0 HH TYR A 138 25.750 19.077 8.617 1.00 0.42 H new ATOM 2099 N GLU A 139 24.965 18.471 1.538 1.00 0.39 N ATOM 2100 CA GLU A 139 23.889 19.013 0.638 1.00 0.38 C ATOM 2101 C GLU A 139 24.135 18.612 -0.822 1.00 0.35 C ATOM 2102 O GLU A 139 23.241 18.144 -1.501 1.00 0.36 O ATOM 2103 CB GLU A 139 23.818 20.552 0.786 1.00 0.40 C ATOM 2104 CG GLU A 139 24.759 21.267 -0.203 1.00 1.75 C ATOM 2105 CD GLU A 139 24.844 22.751 0.163 1.00 1.92 C ATOM 2106 OE1 GLU A 139 25.454 23.059 1.173 1.00 1.92 O ATOM 2107 OE2 GLU A 139 24.297 23.554 -0.575 1.00 2.46 O ATOM 0 H GLU A 139 25.269 19.105 2.277 1.00 0.39 H new ATOM 0 HA GLU A 139 22.932 18.584 0.935 1.00 0.38 H new ATOM 0 HB2 GLU A 139 22.794 20.886 0.619 1.00 0.40 H new ATOM 0 HB3 GLU A 139 24.082 20.832 1.806 1.00 0.40 H new ATOM 0 HG2 GLU A 139 25.750 20.815 -0.171 1.00 1.75 H new ATOM 0 HG3 GLU A 139 24.389 21.152 -1.222 1.00 1.75 H new ATOM 2114 N GLU A 140 25.324 18.782 -1.311 1.00 0.32 N ATOM 2115 CA GLU A 140 25.599 18.400 -2.724 1.00 0.28 C ATOM 2116 C GLU A 140 25.558 16.873 -2.851 1.00 0.23 C ATOM 2117 O GLU A 140 25.024 16.326 -3.798 1.00 0.24 O ATOM 2118 CB GLU A 140 26.986 18.909 -3.129 1.00 0.25 C ATOM 2119 CG GLU A 140 27.146 18.808 -4.650 1.00 1.59 C ATOM 2120 CD GLU A 140 26.374 19.943 -5.325 1.00 1.88 C ATOM 2121 OE1 GLU A 140 26.826 21.073 -5.238 1.00 1.44 O ATOM 2122 OE2 GLU A 140 25.346 19.664 -5.918 1.00 3.09 O ATOM 0 H GLU A 140 26.118 19.167 -0.799 1.00 0.32 H new ATOM 0 HA GLU A 140 24.846 18.842 -3.377 1.00 0.28 H new ATOM 0 HB2 GLU A 140 27.113 19.943 -2.808 1.00 0.25 H new ATOM 0 HB3 GLU A 140 27.759 18.323 -2.632 1.00 0.25 H new ATOM 0 HG2 GLU A 140 28.201 18.862 -4.919 1.00 1.59 H new ATOM 0 HG3 GLU A 140 26.777 17.845 -5.001 1.00 1.59 H new ATOM 2129 N PHE A 141 26.125 16.184 -1.900 1.00 0.19 N ATOM 2130 CA PHE A 141 26.138 14.691 -1.955 1.00 0.14 C ATOM 2131 C PHE A 141 24.719 14.148 -1.716 1.00 0.17 C ATOM 2132 O PHE A 141 24.411 13.031 -2.084 1.00 0.22 O ATOM 2133 CB PHE A 141 27.116 14.145 -0.877 1.00 0.09 C ATOM 2134 CG PHE A 141 28.290 13.451 -1.532 1.00 0.07 C ATOM 2135 CD1 PHE A 141 28.117 12.185 -2.094 1.00 0.15 C ATOM 2136 CD2 PHE A 141 29.546 14.075 -1.584 1.00 0.10 C ATOM 2137 CE1 PHE A 141 29.192 11.541 -2.707 1.00 0.15 C ATOM 2138 CE2 PHE A 141 30.622 13.421 -2.206 1.00 0.12 C ATOM 2139 CZ PHE A 141 30.440 12.161 -2.762 1.00 0.10 C ATOM 0 H PHE A 141 26.582 16.590 -1.083 1.00 0.19 H new ATOM 0 HA PHE A 141 26.474 14.363 -2.939 1.00 0.14 H new ATOM 0 HB2 PHE A 141 27.472 14.964 -0.252 1.00 0.09 H new ATOM 0 HB3 PHE A 141 26.593 13.448 -0.222 1.00 0.09 H new ATOM 0 HD1 PHE A 141 27.151 11.704 -2.054 1.00 0.15 H new ATOM 0 HD2 PHE A 141 29.684 15.053 -1.148 1.00 0.10 H new ATOM 0 HE1 PHE A 141 29.058 10.561 -3.140 1.00 0.15 H new ATOM 0 HE2 PHE A 141 31.590 13.897 -2.252 1.00 0.12 H new ATOM 0 HZ PHE A 141 31.269 11.659 -3.239 1.00 0.10 H new ATOM 2149 N VAL A 142 23.852 14.913 -1.110 1.00 0.23 N ATOM 2150 CA VAL A 142 22.473 14.406 -0.863 1.00 0.27 C ATOM 2151 C VAL A 142 21.733 14.286 -2.203 1.00 0.37 C ATOM 2152 O VAL A 142 21.107 13.286 -2.491 1.00 0.40 O ATOM 2153 CB VAL A 142 21.709 15.379 0.042 1.00 0.35 C ATOM 2154 CG1 VAL A 142 20.257 14.898 0.176 1.00 0.41 C ATOM 2155 CG2 VAL A 142 22.375 15.453 1.441 1.00 0.32 C ATOM 0 H VAL A 142 24.037 15.859 -0.778 1.00 0.23 H new ATOM 0 HA VAL A 142 22.532 13.432 -0.377 1.00 0.27 H new ATOM 0 HB VAL A 142 21.729 16.375 -0.399 1.00 0.35 H new ATOM 0 HG11 VAL A 142 19.704 15.584 0.818 1.00 0.41 H new ATOM 0 HG12 VAL A 142 19.791 14.868 -0.809 1.00 0.41 H new ATOM 0 HG13 VAL A 142 20.243 13.900 0.614 1.00 0.41 H new ATOM 0 HG21 VAL A 142 21.821 16.148 2.072 1.00 0.32 H new ATOM 0 HG22 VAL A 142 22.370 14.464 1.899 1.00 0.32 H new ATOM 0 HG23 VAL A 142 23.403 15.799 1.337 1.00 0.32 H new ATOM 2165 N GLN A 143 21.792 15.311 -3.010 1.00 0.43 N ATOM 2166 CA GLN A 143 21.082 15.283 -4.322 1.00 0.54 C ATOM 2167 C GLN A 143 21.691 14.216 -5.238 1.00 0.54 C ATOM 2168 O GLN A 143 21.020 13.674 -6.096 1.00 0.64 O ATOM 2169 CB GLN A 143 21.209 16.653 -4.993 1.00 0.62 C ATOM 2170 CG GLN A 143 20.552 17.718 -4.112 1.00 0.58 C ATOM 2171 CD GLN A 143 20.507 19.047 -4.865 1.00 0.72 C ATOM 2172 OE1 GLN A 143 20.364 19.072 -6.072 1.00 1.39 O ATOM 2173 NE2 GLN A 143 20.624 20.164 -4.200 1.00 0.51 N ATOM 0 H GLN A 143 22.304 16.171 -2.816 1.00 0.43 H new ATOM 0 HA GLN A 143 20.032 15.044 -4.150 1.00 0.54 H new ATOM 0 HB2 GLN A 143 22.260 16.895 -5.152 1.00 0.62 H new ATOM 0 HB3 GLN A 143 20.734 16.634 -5.974 1.00 0.62 H new ATOM 0 HG2 GLN A 143 19.543 17.408 -3.840 1.00 0.58 H new ATOM 0 HG3 GLN A 143 21.112 17.833 -3.184 1.00 0.58 H new ATOM 0 HE21 GLN A 143 20.744 20.144 -3.187 1.00 0.51 H new ATOM 0 HE22 GLN A 143 20.595 21.056 -4.693 1.00 0.51 H new ATOM 2182 N MET A 144 22.949 13.919 -5.080 1.00 0.45 N ATOM 2183 CA MET A 144 23.587 12.897 -5.963 1.00 0.47 C ATOM 2184 C MET A 144 22.994 11.510 -5.674 1.00 0.47 C ATOM 2185 O MET A 144 22.791 10.716 -6.569 1.00 0.53 O ATOM 2186 CB MET A 144 25.109 12.876 -5.710 1.00 0.44 C ATOM 2187 CG MET A 144 25.810 13.917 -6.593 1.00 0.55 C ATOM 2188 SD MET A 144 27.600 13.788 -6.361 1.00 0.85 S ATOM 2189 CE MET A 144 28.025 15.431 -6.986 1.00 0.51 C ATOM 0 H MET A 144 23.564 14.336 -4.381 1.00 0.45 H new ATOM 0 HA MET A 144 23.396 13.154 -7.005 1.00 0.47 H new ATOM 0 HB2 MET A 144 25.313 13.084 -4.660 1.00 0.44 H new ATOM 0 HB3 MET A 144 25.506 11.883 -5.921 1.00 0.44 H new ATOM 0 HG2 MET A 144 25.555 13.754 -7.640 1.00 0.55 H new ATOM 0 HG3 MET A 144 25.469 14.919 -6.334 1.00 0.55 H new ATOM 0 HE1 MET A 144 29.063 15.436 -7.319 1.00 0.51 H new ATOM 0 HE2 MET A 144 27.374 15.681 -7.823 1.00 0.51 H new ATOM 0 HE3 MET A 144 27.895 16.167 -6.193 1.00 0.51 H new ATOM 2199 N MET A 145 22.735 11.207 -4.435 1.00 0.40 N ATOM 2200 CA MET A 145 22.176 9.864 -4.103 1.00 0.40 C ATOM 2201 C MET A 145 20.746 9.735 -4.635 1.00 0.47 C ATOM 2202 O MET A 145 20.257 8.644 -4.856 1.00 0.50 O ATOM 2203 CB MET A 145 22.176 9.665 -2.580 1.00 0.33 C ATOM 2204 CG MET A 145 23.626 9.585 -2.038 1.00 0.27 C ATOM 2205 SD MET A 145 23.768 8.214 -0.856 1.00 0.29 S ATOM 2206 CE MET A 145 22.812 8.949 0.495 1.00 0.22 C ATOM 0 H MET A 145 22.884 11.826 -3.639 1.00 0.40 H new ATOM 0 HA MET A 145 22.798 9.101 -4.572 1.00 0.40 H new ATOM 0 HB2 MET A 145 21.648 10.489 -2.101 1.00 0.33 H new ATOM 0 HB3 MET A 145 21.637 8.752 -2.328 1.00 0.33 H new ATOM 0 HG2 MET A 145 24.324 9.440 -2.862 1.00 0.27 H new ATOM 0 HG3 MET A 145 23.895 10.524 -1.554 1.00 0.27 H new ATOM 0 HE1 MET A 145 23.173 8.563 1.448 1.00 0.22 H new ATOM 0 HE2 MET A 145 22.928 10.033 0.475 1.00 0.22 H new ATOM 0 HE3 MET A 145 21.759 8.694 0.376 1.00 0.22 H new ATOM 2216 N THR A 146 20.066 10.828 -4.844 1.00 0.51 N ATOM 2217 CA THR A 146 18.683 10.753 -5.354 1.00 0.61 C ATOM 2218 C THR A 146 18.723 10.434 -6.848 1.00 0.80 C ATOM 2219 O THR A 146 18.283 9.391 -7.289 1.00 1.22 O ATOM 2220 CB THR A 146 18.023 12.122 -5.090 1.00 0.66 C ATOM 2221 OG1 THR A 146 19.024 13.032 -4.667 1.00 0.59 O ATOM 2222 CG2 THR A 146 16.960 12.005 -3.991 1.00 0.71 C ATOM 0 H THR A 146 20.417 11.772 -4.680 1.00 0.51 H new ATOM 0 HA THR A 146 18.108 9.970 -4.859 1.00 0.61 H new ATOM 0 HB THR A 146 17.545 12.471 -6.005 1.00 0.66 H new ATOM 0 HG1 THR A 146 19.515 13.364 -5.447 1.00 0.59 H new ATOM 0 HG21 THR A 146 16.506 12.981 -3.819 1.00 0.71 H new ATOM 0 HG22 THR A 146 16.192 11.297 -4.302 1.00 0.71 H new ATOM 0 HG23 THR A 146 17.426 11.654 -3.070 1.00 0.71 H new ATOM 2230 N ALA A 147 19.266 11.322 -7.607 1.00 0.55 N ATOM 2231 CA ALA A 147 19.380 11.115 -9.070 1.00 0.68 C ATOM 2232 C ALA A 147 20.057 12.328 -9.686 1.00 0.39 C ATOM 2233 O ALA A 147 19.546 13.430 -9.663 1.00 0.76 O ATOM 2234 CB ALA A 147 18.010 10.933 -9.710 1.00 1.36 C ATOM 0 H ALA A 147 19.647 12.207 -7.272 1.00 0.55 H new ATOM 0 HA ALA A 147 19.965 10.213 -9.248 1.00 0.68 H new ATOM 0 HB1 ALA A 147 18.127 10.783 -10.783 1.00 1.36 H new ATOM 0 HB2 ALA A 147 17.517 10.064 -9.274 1.00 1.36 H new ATOM 0 HB3 ALA A 147 17.404 11.821 -9.531 1.00 1.36 H new ATOM 2240 N LYS A 148 21.203 12.118 -10.231 1.00 0.76 N ATOM 2241 CA LYS A 148 21.959 13.232 -10.869 1.00 1.31 C ATOM 2242 C LYS A 148 21.029 14.023 -11.790 1.00 1.71 C ATOM 2243 O LYS A 148 19.964 13.517 -12.098 1.00 1.70 O ATOM 2244 CB LYS A 148 23.113 12.648 -11.687 1.00 1.61 C ATOM 2245 CG LYS A 148 24.045 11.834 -10.770 1.00 1.67 C ATOM 2246 CD LYS A 148 24.794 10.783 -11.597 1.00 2.50 C ATOM 2247 CE LYS A 148 25.981 10.251 -10.793 1.00 2.72 C ATOM 2248 NZ LYS A 148 25.554 9.995 -9.390 1.00 2.21 N ATOM 2249 OXT LYS A 148 21.398 15.122 -12.173 1.00 2.37 O ATOM 0 H LYS A 148 21.666 11.210 -10.268 1.00 0.76 H new ATOM 0 HA LYS A 148 22.352 13.897 -10.100 1.00 1.31 H new ATOM 0 HB2 LYS A 148 22.722 12.011 -12.481 1.00 1.61 H new ATOM 0 HB3 LYS A 148 23.672 13.451 -12.168 1.00 1.61 H new ATOM 0 HG2 LYS A 148 24.756 12.497 -10.277 1.00 1.67 H new ATOM 0 HG3 LYS A 148 23.465 11.348 -9.985 1.00 1.67 H new ATOM 0 HD2 LYS A 148 24.123 9.965 -11.859 1.00 2.50 H new ATOM 0 HD3 LYS A 148 25.142 11.221 -12.532 1.00 2.50 H new ATOM 0 HE2 LYS A 148 26.357 9.332 -11.244 1.00 2.72 H new ATOM 0 HE3 LYS A 148 26.798 10.972 -10.810 1.00 2.72 H new ATOM 0 HZ1 LYS A 148 26.346 9.586 -8.855 1.00 2.21 H new ATOM 0 HZ2 LYS A 148 25.263 10.890 -8.947 1.00 2.21 H new ATOM 0 HZ3 LYS A 148 24.754 9.331 -9.386 1.00 2.21 H new TER 2263 LYS A 148