USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 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 145 MET CE :methyl -130:sc= -0.616 (180deg=-3.23!) USER MOD Set 1.2: A 146 THR OG1 : rot 65:sc= 0.912 USER MOD Set 2.1: A 99 TYR OH : rot -115:sc= 0.026 USER MOD Set 2.2: A 137 ASN : amide:sc= -2.56 X(o=-2.5,f=-2.3) USER MOD Set 3.1: A 26 THR OG1 : rot -147:sc= 1.15 USER MOD Set 3.2: A 62 THR OG1 : rot 129:sc= 1.18 USER MOD Set 4.1: A 36 MET CE :methyl -110:sc= -1.19 (180deg=-3.71!) USER MOD Set 4.2: A 72 MET CE :methyl -132:sc= -1.39 (180deg=-5.29!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0568) USER MOD Single : A 17 SER OG : rot 107:sc= 0.215 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 38 SER OG : rot 83:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0476 X(o=-0.048,f=-0.072) USER MOD Single : A 44 THR OG1 : rot 143:sc= 1.31 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 151:sc= -5.52! (180deg=-6.63!) USER MOD Single : A 53 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.0031) USER MOD Single : A 70 THR OG1 : rot 3:sc= 1 USER MOD Single : A 71 MET CE :methyl -157:sc= -5.27! (180deg=-5.9!) USER MOD Single : A 81 SER OG : rot 35:sc= 0.0676 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -0.923 (180deg=-1.58!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.13 K(o=-1.1,f=0.33) USER MOD Single : A 109 MET CE :methyl -104:sc= -2.58! (180deg=-5.39!) USER MOD Single : A 110 THR OG1 : rot 136:sc= 0.874 USER MOD Single : A 111 ASN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 178:sc= -3.04! (180deg=-3.11!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 134:sc= -5.42! (180deg=-8.55!) USER MOD Single : A 135 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.023) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -3.87! K(o=-3.9!,f=-0.94) USER MOD Single : A 144 MET CE :methyl -161:sc= -1.6 (180deg=-2.34!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 12.047 17.489 -1.646 1.00 3.51 N ATOM 91 CA GLU A 7 11.523 17.969 -2.930 1.00 3.59 C ATOM 92 C GLU A 7 10.175 17.348 -3.305 1.00 3.35 C ATOM 93 O GLU A 7 9.471 17.895 -4.158 1.00 3.38 O ATOM 94 CB GLU A 7 12.551 17.778 -4.068 1.00 3.93 C ATOM 95 CG GLU A 7 13.147 16.374 -4.183 1.00 4.45 C ATOM 96 CD GLU A 7 14.050 16.221 -5.391 1.00 5.14 C ATOM 97 OE1 GLU A 7 13.541 15.848 -6.469 1.00 5.54 O ATOM 98 OE2 GLU A 7 15.266 16.475 -5.259 1.00 5.58 O ATOM 0 HA GLU A 7 11.346 19.036 -2.797 1.00 3.59 H new ATOM 0 HB2 GLU A 7 12.072 18.030 -5.014 1.00 3.93 H new ATOM 0 HB3 GLU A 7 13.364 18.489 -3.924 1.00 3.93 H new ATOM 0 HG2 GLU A 7 13.714 16.149 -3.280 1.00 4.45 H new ATOM 0 HG3 GLU A 7 12.339 15.644 -4.243 1.00 4.45 H new ATOM 105 N GLN A 8 9.818 16.205 -2.691 1.00 3.16 N ATOM 106 CA GLN A 8 8.523 15.571 -2.960 1.00 2.96 C ATOM 107 C GLN A 8 7.407 16.501 -2.550 1.00 2.69 C ATOM 108 O GLN A 8 6.364 16.552 -3.195 1.00 2.63 O ATOM 109 CB GLN A 8 8.393 14.212 -2.265 1.00 2.87 C ATOM 110 CG GLN A 8 9.220 13.110 -2.908 1.00 3.23 C ATOM 111 CD GLN A 8 8.975 11.754 -2.275 1.00 3.13 C ATOM 112 OE1 GLN A 8 8.099 11.004 -2.706 1.00 3.27 O ATOM 113 NE2 GLN A 8 9.749 11.433 -1.245 1.00 3.29 N ATOM 0 H GLN A 8 10.401 15.711 -2.016 1.00 3.16 H new ATOM 0 HA GLN A 8 8.454 15.381 -4.031 1.00 2.96 H new ATOM 0 HB2 GLN A 8 8.694 14.318 -1.223 1.00 2.87 H new ATOM 0 HB3 GLN A 8 7.345 13.913 -2.265 1.00 2.87 H new ATOM 0 HG2 GLN A 8 8.986 13.058 -3.971 1.00 3.23 H new ATOM 0 HG3 GLN A 8 10.278 13.360 -2.826 1.00 3.23 H new ATOM 0 HE21 GLN A 8 10.463 12.085 -0.921 1.00 3.29 H new ATOM 0 HE22 GLN A 8 9.630 10.534 -0.778 1.00 3.29 H new ATOM 122 N ILE A 9 7.652 17.228 -1.464 1.00 2.59 N ATOM 123 CA ILE A 9 6.756 18.258 -0.981 1.00 2.41 C ATOM 124 C ILE A 9 6.548 19.280 -2.096 1.00 2.64 C ATOM 125 O ILE A 9 5.419 19.691 -2.361 1.00 2.55 O ATOM 126 CB ILE A 9 7.353 18.901 0.290 1.00 2.42 C ATOM 127 CG1 ILE A 9 7.141 17.945 1.463 1.00 2.20 C ATOM 128 CG2 ILE A 9 6.783 20.288 0.561 1.00 2.45 C ATOM 129 CD1 ILE A 9 8.296 16.993 1.661 1.00 2.35 C ATOM 0 H ILE A 9 8.489 17.113 -0.893 1.00 2.59 H new ATOM 0 HA ILE A 9 5.786 17.840 -0.712 1.00 2.41 H new ATOM 0 HB ILE A 9 8.422 19.058 0.144 1.00 2.42 H new ATOM 0 HG12 ILE A 9 6.993 18.524 2.375 1.00 2.20 H new ATOM 0 HG13 ILE A 9 6.229 17.372 1.298 1.00 2.20 H new ATOM 0 HG21 ILE A 9 7.235 20.697 1.465 1.00 2.45 H new ATOM 0 HG22 ILE A 9 7.003 20.943 -0.282 1.00 2.45 H new ATOM 0 HG23 ILE A 9 5.703 20.218 0.695 1.00 2.45 H new ATOM 0 HD11 ILE A 9 8.088 16.339 2.508 1.00 2.35 H new ATOM 0 HD12 ILE A 9 8.429 16.391 0.762 1.00 2.35 H new ATOM 0 HD13 ILE A 9 9.206 17.561 1.856 1.00 2.35 H new ATOM 141 N ALA A 10 7.665 19.674 -2.745 1.00 2.97 N ATOM 142 CA ALA A 10 7.620 20.581 -3.900 1.00 3.26 C ATOM 143 C ALA A 10 6.727 20.010 -4.997 1.00 3.27 C ATOM 144 O ALA A 10 6.139 20.760 -5.781 1.00 3.43 O ATOM 145 CB ALA A 10 9.018 20.869 -4.426 1.00 3.61 C ATOM 0 H ALA A 10 8.605 19.376 -2.485 1.00 2.97 H new ATOM 0 HA ALA A 10 7.190 21.527 -3.571 1.00 3.26 H new ATOM 0 HB1 ALA A 10 8.954 21.543 -5.280 1.00 3.61 H new ATOM 0 HB2 ALA A 10 9.613 21.335 -3.641 1.00 3.61 H new ATOM 0 HB3 ALA A 10 9.490 19.936 -4.734 1.00 3.61 H new ATOM 151 N GLU A 11 6.637 18.672 -5.039 1.00 3.14 N ATOM 152 CA GLU A 11 5.752 17.986 -5.978 1.00 3.18 C ATOM 153 C GLU A 11 4.350 17.925 -5.405 1.00 2.87 C ATOM 154 O GLU A 11 3.357 17.931 -6.139 1.00 2.94 O ATOM 155 CB GLU A 11 6.236 16.570 -6.242 1.00 3.24 C ATOM 156 CG GLU A 11 6.921 16.393 -7.587 1.00 3.63 C ATOM 157 CD GLU A 11 7.397 14.972 -7.817 1.00 3.78 C ATOM 158 OE1 GLU A 11 6.617 14.165 -8.365 1.00 4.13 O ATOM 159 OE2 GLU A 11 8.552 14.666 -7.450 1.00 3.90 O ATOM 0 H GLU A 11 7.168 18.048 -4.432 1.00 3.14 H new ATOM 0 HA GLU A 11 5.753 18.542 -6.915 1.00 3.18 H new ATOM 0 HB2 GLU A 11 6.929 16.280 -5.452 1.00 3.24 H new ATOM 0 HB3 GLU A 11 5.386 15.890 -6.186 1.00 3.24 H new ATOM 0 HG2 GLU A 11 6.230 16.674 -8.382 1.00 3.63 H new ATOM 0 HG3 GLU A 11 7.772 17.072 -7.649 1.00 3.63 H new ATOM 166 N PHE A 12 4.299 17.866 -4.075 1.00 2.56 N ATOM 167 CA PHE A 12 3.045 17.818 -3.335 1.00 2.24 C ATOM 168 C PHE A 12 2.286 19.150 -3.421 1.00 2.30 C ATOM 169 O PHE A 12 1.056 19.149 -3.522 1.00 2.22 O ATOM 170 CB PHE A 12 3.305 17.455 -1.867 1.00 1.94 C ATOM 171 CG PHE A 12 3.708 16.010 -1.603 1.00 1.85 C ATOM 172 CD1 PHE A 12 3.914 15.091 -2.635 1.00 2.28 C ATOM 173 CD2 PHE A 12 3.855 15.562 -0.295 1.00 2.07 C ATOM 174 CE1 PHE A 12 4.243 13.784 -2.356 1.00 2.34 C ATOM 175 CE2 PHE A 12 4.193 14.251 -0.024 1.00 2.03 C ATOM 176 CZ PHE A 12 4.381 13.360 -1.066 1.00 1.90 C ATOM 0 H PHE A 12 5.129 17.850 -3.482 1.00 2.56 H new ATOM 0 HA PHE A 12 2.423 17.048 -3.791 1.00 2.24 H new ATOM 0 HB2 PHE A 12 4.090 18.107 -1.485 1.00 1.94 H new ATOM 0 HB3 PHE A 12 2.404 17.672 -1.294 1.00 1.94 H new ATOM 0 HD1 PHE A 12 3.814 15.409 -3.662 1.00 2.28 H new ATOM 0 HD2 PHE A 12 3.702 16.251 0.523 1.00 2.07 H new ATOM 0 HE1 PHE A 12 4.394 13.086 -3.167 1.00 2.34 H new ATOM 0 HE2 PHE A 12 4.310 13.922 0.998 1.00 2.03 H new ATOM 0 HZ PHE A 12 4.636 12.331 -0.859 1.00 1.90 H new ATOM 186 N LYS A 13 3.020 20.292 -3.380 1.00 2.51 N ATOM 187 CA LYS A 13 2.376 21.618 -3.471 1.00 2.67 C ATOM 188 C LYS A 13 1.984 21.958 -4.903 1.00 2.96 C ATOM 189 O LYS A 13 1.139 22.825 -5.120 1.00 3.07 O ATOM 190 CB LYS A 13 3.226 22.750 -2.861 1.00 2.86 C ATOM 191 CG LYS A 13 4.736 22.649 -3.093 1.00 3.04 C ATOM 192 CD LYS A 13 5.510 22.595 -1.772 1.00 2.93 C ATOM 193 CE LYS A 13 5.623 23.962 -1.091 1.00 3.15 C ATOM 194 NZ LYS A 13 6.547 24.879 -1.819 1.00 3.58 N ATOM 0 H LYS A 13 4.035 20.318 -3.287 1.00 2.51 H new ATOM 0 HA LYS A 13 1.469 21.544 -2.871 1.00 2.67 H new ATOM 0 HB2 LYS A 13 2.878 23.700 -3.268 1.00 2.86 H new ATOM 0 HB3 LYS A 13 3.044 22.777 -1.787 1.00 2.86 H new ATOM 0 HG2 LYS A 13 4.955 21.757 -3.680 1.00 3.04 H new ATOM 0 HG3 LYS A 13 5.073 23.505 -3.677 1.00 3.04 H new ATOM 0 HD2 LYS A 13 5.016 21.898 -1.096 1.00 2.93 H new ATOM 0 HD3 LYS A 13 6.510 22.204 -1.958 1.00 2.93 H new ATOM 0 HE2 LYS A 13 4.635 24.418 -1.029 1.00 3.15 H new ATOM 0 HE3 LYS A 13 5.977 23.829 -0.069 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 6.699 25.739 -1.254 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 7.458 24.402 -1.975 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 6.129 25.136 -2.736 1.00 3.58 H new ATOM 208 N GLU A 14 2.605 21.281 -5.881 1.00 3.12 N ATOM 209 CA GLU A 14 2.260 21.490 -7.290 1.00 3.43 C ATOM 210 C GLU A 14 0.894 20.859 -7.592 1.00 3.34 C ATOM 211 O GLU A 14 0.158 21.332 -8.462 1.00 3.56 O ATOM 212 CB GLU A 14 3.330 20.889 -8.207 1.00 3.67 C ATOM 213 CG GLU A 14 4.613 21.704 -8.271 1.00 4.07 C ATOM 214 CD GLU A 14 5.652 21.086 -9.186 1.00 4.36 C ATOM 215 OE1 GLU A 14 5.651 21.413 -10.391 1.00 4.71 O ATOM 216 OE2 GLU A 14 6.466 20.275 -8.697 1.00 4.52 O ATOM 0 H GLU A 14 3.340 20.592 -5.722 1.00 3.12 H new ATOM 0 HA GLU A 14 2.210 22.562 -7.478 1.00 3.43 H new ATOM 0 HB2 GLU A 14 3.567 19.883 -7.862 1.00 3.67 H new ATOM 0 HB3 GLU A 14 2.921 20.793 -9.213 1.00 3.67 H new ATOM 0 HG2 GLU A 14 4.382 22.711 -8.618 1.00 4.07 H new ATOM 0 HG3 GLU A 14 5.029 21.800 -7.268 1.00 4.07 H new ATOM 223 N ALA A 15 0.579 19.783 -6.850 1.00 3.04 N ATOM 224 CA ALA A 15 -0.682 19.055 -6.999 1.00 2.97 C ATOM 225 C ALA A 15 -1.803 19.614 -6.127 1.00 2.76 C ATOM 226 O ALA A 15 -2.821 20.061 -6.647 1.00 2.91 O ATOM 227 CB ALA A 15 -0.472 17.567 -6.701 1.00 2.84 C ATOM 0 H ALA A 15 1.194 19.398 -6.133 1.00 3.04 H new ATOM 0 HA ALA A 15 -0.997 19.183 -8.034 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -1.417 17.036 -6.815 1.00 2.84 H new ATOM 0 HB2 ALA A 15 0.261 17.157 -7.396 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -0.110 17.448 -5.680 1.00 2.84 H new ATOM 233 N PHE A 16 -1.617 19.568 -4.798 1.00 2.45 N ATOM 234 CA PHE A 16 -2.616 20.063 -3.833 1.00 2.28 C ATOM 235 C PHE A 16 -3.146 21.437 -4.240 1.00 2.56 C ATOM 236 O PHE A 16 -4.349 21.689 -4.200 1.00 2.60 O ATOM 237 CB PHE A 16 -1.974 20.145 -2.443 1.00 2.02 C ATOM 238 CG PHE A 16 -2.914 20.416 -1.285 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.572 21.637 -1.156 1.00 2.18 C ATOM 240 CD2 PHE A 16 -3.099 19.456 -0.301 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.396 21.875 -0.072 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.920 19.691 0.773 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.569 20.895 0.889 1.00 1.79 C ATOM 0 H PHE A 16 -0.776 19.189 -4.363 1.00 2.45 H new ATOM 0 HA PHE A 16 -3.457 19.370 -3.817 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -1.455 19.206 -2.250 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -1.218 20.930 -2.461 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.438 22.402 -1.907 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -2.588 18.508 -0.382 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -4.903 22.823 0.024 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -4.055 18.929 1.527 1.00 2.07 H new ATOM 0 HZ PHE A 16 -5.217 21.078 1.733 1.00 1.79 H new ATOM 253 N SER A 17 -2.227 22.300 -4.653 1.00 2.80 N ATOM 254 CA SER A 17 -2.550 23.651 -5.049 1.00 3.11 C ATOM 255 C SER A 17 -3.327 23.730 -6.354 1.00 3.36 C ATOM 256 O SER A 17 -3.966 24.752 -6.625 1.00 3.59 O ATOM 257 CB SER A 17 -1.282 24.488 -5.153 1.00 3.33 C ATOM 258 OG SER A 17 -0.703 24.703 -3.877 1.00 3.30 O ATOM 0 H SER A 17 -1.234 22.075 -4.721 1.00 2.80 H new ATOM 0 HA SER A 17 -3.201 24.049 -4.271 1.00 3.11 H new ATOM 0 HB2 SER A 17 -0.564 23.986 -5.801 1.00 3.33 H new ATOM 0 HB3 SER A 17 -1.513 25.447 -5.616 1.00 3.33 H new ATOM 0 HG SER A 17 0.108 24.159 -3.790 1.00 3.30 H new ATOM 264 N LEU A 18 -3.283 22.662 -7.167 1.00 3.35 N ATOM 265 CA LEU A 18 -3.989 22.659 -8.437 1.00 3.63 C ATOM 266 C LEU A 18 -5.496 22.659 -8.215 1.00 3.56 C ATOM 267 O LEU A 18 -6.287 22.954 -9.116 1.00 3.81 O ATOM 268 CB LEU A 18 -3.520 21.487 -9.307 1.00 3.72 C ATOM 269 CG LEU A 18 -4.327 20.205 -9.170 1.00 3.54 C ATOM 270 CD1 LEU A 18 -5.454 20.150 -10.195 1.00 3.79 C ATOM 271 CD2 LEU A 18 -3.447 18.969 -9.282 1.00 3.53 C ATOM 0 H LEU A 18 -2.770 21.805 -6.962 1.00 3.35 H new ATOM 0 HA LEU A 18 -3.752 23.574 -8.980 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -3.543 21.800 -10.351 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -2.480 21.269 -9.062 1.00 3.72 H new ATOM 0 HG LEU A 18 -4.768 20.212 -8.173 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -6.013 19.222 -10.072 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -6.122 20.998 -10.047 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -5.034 20.190 -11.200 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -4.061 18.074 -9.179 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -2.954 18.960 -10.254 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -2.695 18.985 -8.493 1.00 3.53 H new ATOM 283 N PHE A 19 -5.842 22.299 -7.001 1.00 3.24 N ATOM 284 CA PHE A 19 -7.222 22.253 -6.545 1.00 3.16 C ATOM 285 C PHE A 19 -7.453 23.334 -5.488 1.00 3.11 C ATOM 286 O PHE A 19 -8.552 23.454 -4.934 1.00 3.07 O ATOM 287 CB PHE A 19 -7.539 20.872 -5.960 1.00 2.89 C ATOM 288 CG PHE A 19 -7.387 19.722 -6.929 1.00 3.01 C ATOM 289 CD1 PHE A 19 -8.273 19.551 -7.986 1.00 3.31 C ATOM 290 CD2 PHE A 19 -6.356 18.807 -6.774 1.00 3.27 C ATOM 291 CE1 PHE A 19 -8.131 18.494 -8.865 1.00 3.50 C ATOM 292 CE2 PHE A 19 -6.210 17.749 -7.651 1.00 3.41 C ATOM 293 CZ PHE A 19 -7.098 17.592 -8.697 1.00 3.37 C ATOM 0 H PHE A 19 -5.167 22.025 -6.288 1.00 3.24 H new ATOM 0 HA PHE A 19 -7.882 22.434 -7.393 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -6.886 20.697 -5.105 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -8.562 20.879 -5.584 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -9.083 20.253 -8.122 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -5.659 18.923 -5.958 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -8.827 18.373 -9.682 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -5.402 17.045 -7.518 1.00 3.41 H new ATOM 0 HZ PHE A 19 -6.985 16.765 -9.383 1.00 3.37 H new ATOM 303 N ALA A 20 -6.400 24.134 -5.229 1.00 3.18 N ATOM 304 CA ALA A 20 -6.461 25.215 -4.215 1.00 3.22 C ATOM 305 C ALA A 20 -7.427 26.355 -4.600 1.00 3.51 C ATOM 306 O ALA A 20 -7.022 27.372 -5.179 1.00 3.80 O ATOM 307 CB ALA A 20 -5.067 25.768 -3.938 1.00 3.38 C ATOM 0 H ALA A 20 -5.500 24.056 -5.703 1.00 3.18 H new ATOM 0 HA ALA A 20 -6.859 24.764 -3.306 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -5.131 26.560 -3.192 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -4.426 24.969 -3.565 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -4.646 26.171 -4.859 1.00 3.38 H new ATOM 354 N ASP A 24 -8.765 28.712 2.868 1.00 3.98 N ATOM 355 CA ASP A 24 -7.739 28.537 3.920 1.00 3.89 C ATOM 356 C ASP A 24 -6.498 27.812 3.373 1.00 3.62 C ATOM 357 O ASP A 24 -5.480 27.676 4.060 1.00 3.56 O ATOM 358 CB ASP A 24 -8.321 27.756 5.105 1.00 3.77 C ATOM 359 CG ASP A 24 -9.346 28.558 5.886 1.00 4.13 C ATOM 360 OD1 ASP A 24 -8.948 29.262 6.839 1.00 4.50 O ATOM 361 OD2 ASP A 24 -10.545 28.481 5.545 1.00 4.32 O ATOM 0 HA ASP A 24 -7.434 29.527 4.258 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -8.784 26.840 4.739 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -7.512 27.460 5.772 1.00 3.77 H new ATOM 366 N GLY A 25 -6.620 27.364 2.120 1.00 3.50 N ATOM 367 CA GLY A 25 -5.556 26.669 1.417 1.00 3.30 C ATOM 368 C GLY A 25 -5.710 25.196 1.619 1.00 2.90 C ATOM 369 O GLY A 25 -4.798 24.506 2.083 1.00 2.69 O ATOM 0 H GLY A 25 -7.470 27.478 1.567 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -5.591 26.907 0.354 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -4.585 26.999 1.786 1.00 3.30 H new ATOM 373 N THR A 26 -6.907 24.734 1.250 1.00 2.85 N ATOM 374 CA THR A 26 -7.284 23.350 1.413 1.00 2.53 C ATOM 375 C THR A 26 -7.805 22.720 0.124 1.00 2.45 C ATOM 376 O THR A 26 -7.988 23.405 -0.887 1.00 2.66 O ATOM 377 CB THR A 26 -8.358 23.198 2.498 1.00 2.59 C ATOM 378 OG1 THR A 26 -9.583 23.840 2.121 1.00 2.84 O ATOM 379 CG2 THR A 26 -7.855 23.766 3.783 1.00 2.74 C ATOM 0 H THR A 26 -7.632 25.317 0.832 1.00 2.85 H new ATOM 0 HA THR A 26 -6.373 22.828 1.705 1.00 2.53 H new ATOM 0 HB THR A 26 -8.567 22.136 2.623 1.00 2.59 H new ATOM 0 HG1 THR A 26 -10.027 24.192 2.920 1.00 2.84 H new ATOM 0 HG21 THR A 26 -8.619 23.657 4.553 1.00 2.74 H new ATOM 0 HG22 THR A 26 -6.954 23.234 4.088 1.00 2.74 H new ATOM 0 HG23 THR A 26 -7.624 24.823 3.648 1.00 2.74 H new ATOM 387 N ILE A 27 -8.052 21.401 0.188 1.00 2.21 N ATOM 388 CA ILE A 27 -8.573 20.627 -0.956 1.00 2.22 C ATOM 389 C ILE A 27 -9.442 19.477 -0.438 1.00 2.15 C ATOM 390 O ILE A 27 -9.709 19.396 0.751 1.00 2.13 O ATOM 391 CB ILE A 27 -7.456 20.080 -1.910 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.562 19.065 -1.178 1.00 1.82 C ATOM 393 CG2 ILE A 27 -6.650 21.230 -2.521 1.00 2.31 C ATOM 394 CD1 ILE A 27 -5.674 18.254 -2.100 1.00 1.79 C ATOM 0 H ILE A 27 -7.898 20.842 1.027 1.00 2.21 H new ATOM 0 HA ILE A 27 -9.168 21.314 -1.558 1.00 2.22 H new ATOM 0 HB ILE A 27 -7.932 19.550 -2.735 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.936 19.597 -0.461 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.193 18.385 -0.606 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -5.881 20.826 -3.179 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -7.315 21.876 -3.094 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -6.180 21.808 -1.725 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.074 17.561 -1.510 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -6.293 17.693 -2.800 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -5.016 18.924 -2.653 1.00 1.79 H new ATOM 406 N THR A 28 -9.903 18.619 -1.333 1.00 2.23 N ATOM 407 CA THR A 28 -10.734 17.473 -0.952 1.00 2.29 C ATOM 408 C THR A 28 -9.921 16.179 -1.082 1.00 2.17 C ATOM 409 O THR A 28 -8.792 16.192 -1.584 1.00 2.04 O ATOM 410 CB THR A 28 -12.083 17.427 -1.751 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.689 16.128 -1.690 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.906 17.838 -3.209 1.00 3.10 C ATOM 0 H THR A 28 -9.719 18.689 -2.334 1.00 2.23 H new ATOM 0 HA THR A 28 -11.024 17.585 0.093 1.00 2.29 H new ATOM 0 HB THR A 28 -12.742 18.149 -1.270 1.00 2.57 H new ATOM 0 HG1 THR A 28 -13.528 16.134 -2.196 1.00 2.86 H new ATOM 0 HG21 THR A 28 -12.868 17.790 -3.720 1.00 3.10 H new ATOM 0 HG22 THR A 28 -11.521 18.857 -3.256 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.203 17.162 -3.695 1.00 3.10 H new ATOM 420 N THR A 29 -10.508 15.072 -0.629 1.00 2.30 N ATOM 421 CA THR A 29 -9.833 13.774 -0.600 1.00 2.30 C ATOM 422 C THR A 29 -9.657 13.085 -1.951 1.00 2.50 C ATOM 423 O THR A 29 -8.550 12.643 -2.272 1.00 2.44 O ATOM 424 CB THR A 29 -10.534 12.823 0.351 1.00 2.48 C ATOM 425 OG1 THR A 29 -11.949 12.819 0.121 1.00 2.75 O ATOM 426 CG2 THR A 29 -10.224 13.246 1.767 1.00 2.32 C ATOM 0 H THR A 29 -11.463 15.049 -0.272 1.00 2.30 H new ATOM 0 HA THR A 29 -8.827 14.012 -0.254 1.00 2.30 H new ATOM 0 HB THR A 29 -10.175 11.808 0.182 1.00 2.48 H new ATOM 0 HG1 THR A 29 -12.380 12.198 0.744 1.00 2.75 H new ATOM 0 HG21 THR A 29 -10.721 12.572 2.465 1.00 2.32 H new ATOM 0 HG22 THR A 29 -9.147 13.208 1.930 1.00 2.32 H new ATOM 0 HG23 THR A 29 -10.580 14.263 1.929 1.00 2.32 H new ATOM 434 N LYS A 30 -10.741 12.972 -2.729 1.00 2.77 N ATOM 435 CA LYS A 30 -10.699 12.311 -4.049 1.00 3.04 C ATOM 436 C LYS A 30 -9.583 12.876 -4.942 1.00 2.98 C ATOM 437 O LYS A 30 -8.917 12.127 -5.663 1.00 3.14 O ATOM 438 CB LYS A 30 -12.056 12.446 -4.759 1.00 3.33 C ATOM 439 CG LYS A 30 -13.166 11.576 -4.169 1.00 3.42 C ATOM 440 CD LYS A 30 -13.874 12.265 -3.008 1.00 3.38 C ATOM 441 CE LYS A 30 -15.003 11.408 -2.458 1.00 3.68 C ATOM 442 NZ LYS A 30 -15.702 12.072 -1.324 1.00 3.70 N ATOM 0 H LYS A 30 -11.661 13.329 -2.471 1.00 2.77 H new ATOM 0 HA LYS A 30 -10.483 11.257 -3.875 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -12.370 13.489 -4.722 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -11.929 12.189 -5.811 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -13.892 11.338 -4.946 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -12.743 10.631 -3.827 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -13.156 12.475 -2.215 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -14.272 13.224 -3.340 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -15.719 11.197 -3.252 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -14.603 10.450 -2.127 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -16.465 11.456 -0.977 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -15.025 12.250 -0.555 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -16.106 12.975 -1.646 1.00 3.70 H new ATOM 456 N GLU A 31 -9.399 14.197 -4.877 1.00 2.81 N ATOM 457 CA GLU A 31 -8.375 14.894 -5.661 1.00 2.81 C ATOM 458 C GLU A 31 -7.020 14.998 -4.942 1.00 2.52 C ATOM 459 O GLU A 31 -6.025 15.351 -5.585 1.00 2.57 O ATOM 460 CB GLU A 31 -8.875 16.293 -6.049 1.00 2.89 C ATOM 461 CG GLU A 31 -9.953 16.293 -7.133 1.00 3.24 C ATOM 462 CD GLU A 31 -11.338 15.967 -6.603 1.00 3.22 C ATOM 463 OE1 GLU A 31 -11.739 14.788 -6.680 1.00 3.26 O ATOM 464 OE2 GLU A 31 -12.021 16.892 -6.117 1.00 3.60 O ATOM 0 H GLU A 31 -9.953 14.812 -4.282 1.00 2.81 H new ATOM 0 HA GLU A 31 -8.205 14.294 -6.555 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -9.269 16.786 -5.160 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -8.028 16.887 -6.394 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -9.976 17.272 -7.613 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -9.686 15.568 -7.901 1.00 3.24 H new ATOM 471 N LEU A 32 -6.954 14.693 -3.623 1.00 2.26 N ATOM 472 CA LEU A 32 -5.671 14.792 -2.900 1.00 1.98 C ATOM 473 C LEU A 32 -4.741 13.644 -3.215 1.00 2.07 C ATOM 474 O LEU A 32 -3.529 13.819 -3.248 1.00 1.98 O ATOM 475 CB LEU A 32 -5.821 14.961 -1.389 1.00 1.69 C ATOM 476 CG LEU A 32 -6.492 13.872 -0.547 1.00 1.74 C ATOM 477 CD1 LEU A 32 -5.574 12.700 -0.226 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.887 14.524 0.734 1.00 1.59 C ATOM 0 H LEU A 32 -7.746 14.387 -3.058 1.00 2.26 H new ATOM 0 HA LEU A 32 -5.220 15.711 -3.273 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -4.821 15.112 -0.982 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -6.376 15.884 -1.222 1.00 1.69 H new ATOM 0 HG LEU A 32 -7.331 13.462 -1.110 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -6.115 11.967 0.373 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -5.240 12.235 -1.153 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.709 13.058 0.333 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -7.373 13.793 1.380 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -6.000 14.915 1.232 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.577 15.342 0.528 1.00 1.59 H new ATOM 490 N GLY A 33 -5.308 12.460 -3.396 1.00 2.31 N ATOM 491 CA GLY A 33 -4.502 11.312 -3.787 1.00 2.52 C ATOM 492 C GLY A 33 -3.916 11.522 -5.152 1.00 2.75 C ATOM 493 O GLY A 33 -2.972 10.845 -5.544 1.00 2.91 O ATOM 0 H GLY A 33 -6.304 12.270 -3.281 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -3.703 11.157 -3.062 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -5.116 10.411 -3.783 1.00 2.52 H new ATOM 497 N THR A 34 -4.529 12.464 -5.885 1.00 2.81 N ATOM 498 CA THR A 34 -4.055 12.868 -7.193 1.00 3.07 C ATOM 499 C THR A 34 -2.738 13.592 -7.011 1.00 2.93 C ATOM 500 O THR A 34 -1.949 13.778 -7.941 1.00 3.16 O ATOM 501 CB THR A 34 -5.090 13.717 -7.980 1.00 3.23 C ATOM 502 OG1 THR A 34 -6.405 13.180 -7.789 1.00 3.30 O ATOM 503 CG2 THR A 34 -4.779 13.743 -9.475 1.00 3.60 C ATOM 0 H THR A 34 -5.366 12.959 -5.577 1.00 2.81 H new ATOM 0 HA THR A 34 -3.908 11.980 -7.808 1.00 3.07 H new ATOM 0 HB THR A 34 -5.037 14.736 -7.598 1.00 3.23 H new ATOM 0 HG1 THR A 34 -7.054 13.720 -8.286 1.00 3.30 H new ATOM 0 HG21 THR A 34 -5.525 14.347 -9.991 1.00 3.60 H new ATOM 0 HG22 THR A 34 -3.790 14.174 -9.634 1.00 3.60 H new ATOM 0 HG23 THR A 34 -4.799 12.727 -9.869 1.00 3.60 H new ATOM 511 N VAL A 35 -2.559 13.986 -5.764 1.00 2.56 N ATOM 512 CA VAL A 35 -1.329 14.596 -5.283 1.00 2.39 C ATOM 513 C VAL A 35 -0.349 13.462 -5.110 1.00 2.44 C ATOM 514 O VAL A 35 0.826 13.612 -5.430 1.00 2.53 O ATOM 515 CB VAL A 35 -1.428 15.332 -3.898 1.00 2.01 C ATOM 516 CG1 VAL A 35 -0.047 15.733 -3.381 1.00 1.92 C ATOM 517 CG2 VAL A 35 -2.300 16.568 -3.943 1.00 2.02 C ATOM 0 H VAL A 35 -3.275 13.891 -5.043 1.00 2.56 H new ATOM 0 HA VAL A 35 -1.047 15.361 -6.007 1.00 2.39 H new ATOM 0 HB VAL A 35 -1.889 14.611 -3.222 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -0.151 16.240 -2.422 1.00 1.92 H new ATOM 0 HG12 VAL A 35 0.568 14.842 -3.256 1.00 1.92 H new ATOM 0 HG13 VAL A 35 0.428 16.404 -4.096 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -2.327 17.030 -2.956 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -1.891 17.276 -4.664 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -3.311 16.290 -4.241 1.00 2.02 H new ATOM 527 N MET A 36 -0.852 12.309 -4.608 1.00 2.44 N ATOM 528 CA MET A 36 0.026 11.178 -4.380 1.00 2.55 C ATOM 529 C MET A 36 0.279 10.364 -5.649 1.00 2.97 C ATOM 530 O MET A 36 1.413 9.942 -5.897 1.00 3.11 O ATOM 531 CB MET A 36 -0.497 10.237 -3.289 1.00 2.49 C ATOM 532 CG MET A 36 -0.801 10.911 -1.959 1.00 2.24 C ATOM 533 SD MET A 36 -1.165 9.731 -0.645 1.00 2.48 S ATOM 534 CE MET A 36 -1.928 10.800 0.572 1.00 1.96 C ATOM 0 H MET A 36 -1.831 12.156 -4.366 1.00 2.44 H new ATOM 0 HA MET A 36 0.966 11.619 -4.048 1.00 2.55 H new ATOM 0 HB2 MET A 36 -1.404 9.752 -3.651 1.00 2.49 H new ATOM 0 HB3 MET A 36 0.240 9.451 -3.122 1.00 2.49 H new ATOM 0 HG2 MET A 36 0.051 11.524 -1.665 1.00 2.24 H new ATOM 0 HG3 MET A 36 -1.650 11.583 -2.083 1.00 2.24 H new ATOM 0 HE1 MET A 36 -1.261 10.913 1.427 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.119 11.778 0.129 1.00 1.96 H new ATOM 0 HE3 MET A 36 -2.870 10.361 0.902 1.00 1.96 H new ATOM 544 N ARG A 37 -0.776 10.165 -6.467 1.00 3.18 N ATOM 545 CA ARG A 37 -0.689 9.337 -7.672 1.00 3.60 C ATOM 546 C ARG A 37 0.275 9.896 -8.730 1.00 3.77 C ATOM 547 O ARG A 37 0.708 9.170 -9.629 1.00 4.10 O ATOM 548 CB ARG A 37 -2.079 9.191 -8.305 1.00 3.78 C ATOM 549 CG ARG A 37 -2.799 7.891 -7.969 1.00 4.18 C ATOM 550 CD ARG A 37 -2.421 6.767 -8.929 1.00 4.52 C ATOM 551 NE ARG A 37 -3.264 5.580 -8.750 1.00 4.90 N ATOM 552 CZ ARG A 37 -3.177 4.462 -9.486 1.00 5.36 C ATOM 553 NH1 ARG A 37 -2.283 4.351 -10.467 1.00 5.45 N ATOM 554 NH2 ARG A 37 -3.993 3.448 -9.234 1.00 5.91 N ATOM 0 H ARG A 37 -1.698 10.571 -6.307 1.00 3.18 H new ATOM 0 HA ARG A 37 -0.298 8.372 -7.350 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -2.699 10.027 -7.983 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -1.980 9.266 -9.388 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -2.556 7.594 -6.949 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -3.876 8.053 -8.005 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -2.510 7.123 -9.956 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -1.377 6.496 -8.775 1.00 4.52 H new ATOM 0 HE ARG A 37 -3.968 5.607 -8.012 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -1.649 5.124 -10.669 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -2.232 3.493 -11.016 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -4.681 3.521 -8.485 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -3.933 2.595 -9.790 1.00 5.91 H new ATOM 568 N SER A 38 0.598 11.186 -8.604 1.00 3.57 N ATOM 569 CA SER A 38 1.481 11.887 -9.550 1.00 3.76 C ATOM 570 C SER A 38 2.964 11.557 -9.349 1.00 3.81 C ATOM 571 O SER A 38 3.751 11.661 -10.296 1.00 4.08 O ATOM 572 CB SER A 38 1.274 13.398 -9.436 1.00 3.59 C ATOM 573 OG SER A 38 -0.037 13.765 -9.828 1.00 3.89 O ATOM 0 H SER A 38 0.257 11.776 -7.845 1.00 3.57 H new ATOM 0 HA SER A 38 1.208 11.539 -10.546 1.00 3.76 H new ATOM 0 HB2 SER A 38 1.452 13.716 -8.409 1.00 3.59 H new ATOM 0 HB3 SER A 38 2.002 13.916 -10.061 1.00 3.59 H new ATOM 0 HG SER A 38 -0.652 13.636 -9.076 1.00 3.89 H new ATOM 579 N LEU A 39 3.342 11.161 -8.126 1.00 3.59 N ATOM 580 CA LEU A 39 4.742 10.827 -7.824 1.00 3.65 C ATOM 581 C LEU A 39 5.027 9.334 -8.032 1.00 3.91 C ATOM 582 O LEU A 39 6.182 8.898 -7.956 1.00 4.06 O ATOM 583 CB LEU A 39 5.112 11.242 -6.395 1.00 3.29 C ATOM 584 CG LEU A 39 4.808 12.698 -6.055 1.00 3.06 C ATOM 585 CD1 LEU A 39 3.477 12.788 -5.350 1.00 2.78 C ATOM 586 CD2 LEU A 39 5.907 13.311 -5.211 1.00 3.19 C ATOM 0 H LEU A 39 2.705 11.064 -7.335 1.00 3.59 H new ATOM 0 HA LEU A 39 5.362 11.389 -8.522 1.00 3.65 H new ATOM 0 HB2 LEU A 39 4.577 10.600 -5.695 1.00 3.29 H new ATOM 0 HB3 LEU A 39 6.176 11.062 -6.243 1.00 3.29 H new ATOM 0 HG LEU A 39 4.759 13.266 -6.984 1.00 3.06 H new ATOM 0 HD11 LEU A 39 3.263 13.829 -5.109 1.00 2.78 H new ATOM 0 HD12 LEU A 39 2.694 12.398 -6.000 1.00 2.78 H new ATOM 0 HD13 LEU A 39 3.511 12.202 -4.431 1.00 2.78 H new ATOM 0 HD21 LEU A 39 5.658 14.348 -4.987 1.00 3.19 H new ATOM 0 HD22 LEU A 39 6.005 12.752 -4.280 1.00 3.19 H new ATOM 0 HD23 LEU A 39 6.849 13.274 -5.758 1.00 3.19 H new ATOM 598 N GLY A 40 3.965 8.566 -8.303 1.00 4.01 N ATOM 599 CA GLY A 40 4.093 7.132 -8.520 1.00 4.30 C ATOM 600 C GLY A 40 3.732 6.320 -7.289 1.00 4.16 C ATOM 601 O GLY A 40 4.302 5.249 -7.061 1.00 4.36 O ATOM 0 H GLY A 40 3.011 8.919 -8.376 1.00 4.01 H new ATOM 0 HA2 GLY A 40 3.450 6.835 -9.348 1.00 4.30 H new ATOM 0 HA3 GLY A 40 5.117 6.903 -8.814 1.00 4.30 H new ATOM 605 N GLN A 41 2.779 6.836 -6.494 1.00 3.86 N ATOM 606 CA GLN A 41 2.322 6.177 -5.270 1.00 3.74 C ATOM 607 C GLN A 41 0.887 6.609 -4.994 1.00 3.60 C ATOM 608 O GLN A 41 0.628 7.788 -4.764 1.00 3.46 O ATOM 609 CB GLN A 41 3.240 6.566 -4.090 1.00 3.47 C ATOM 610 CG GLN A 41 3.145 5.658 -2.864 1.00 3.68 C ATOM 611 CD GLN A 41 3.895 4.348 -3.035 1.00 3.94 C ATOM 612 OE1 GLN A 41 5.077 4.248 -2.707 1.00 4.34 O ATOM 613 NE2 GLN A 41 3.208 3.336 -3.552 1.00 4.15 N ATOM 0 H GLN A 41 2.308 7.720 -6.686 1.00 3.86 H new ATOM 0 HA GLN A 41 2.361 5.094 -5.389 1.00 3.74 H new ATOM 0 HB2 GLN A 41 4.272 6.570 -4.440 1.00 3.47 H new ATOM 0 HB3 GLN A 41 3.002 7.585 -3.786 1.00 3.47 H new ATOM 0 HG2 GLN A 41 3.541 6.186 -1.996 1.00 3.68 H new ATOM 0 HG3 GLN A 41 2.096 5.445 -2.657 1.00 3.68 H new ATOM 0 HE21 GLN A 41 2.229 3.463 -3.810 1.00 4.15 H new ATOM 0 HE22 GLN A 41 3.659 2.432 -3.691 1.00 4.15 H new ATOM 622 N ASN A 42 -0.036 5.656 -4.987 1.00 3.76 N ATOM 623 CA ASN A 42 -1.433 5.970 -4.766 1.00 3.68 C ATOM 624 C ASN A 42 -1.861 5.664 -3.307 1.00 3.53 C ATOM 625 O ASN A 42 -1.316 4.738 -2.701 1.00 3.67 O ATOM 626 CB ASN A 42 -2.324 5.198 -5.761 1.00 4.06 C ATOM 627 CG ASN A 42 -2.180 3.682 -5.670 1.00 4.60 C ATOM 628 OD1 ASN A 42 -1.345 3.084 -6.350 1.00 4.82 O ATOM 629 ND2 ASN A 42 -2.996 3.058 -4.829 1.00 5.19 N ATOM 0 H ASN A 42 0.160 4.666 -5.131 1.00 3.76 H new ATOM 0 HA ASN A 42 -1.562 7.039 -4.933 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -3.366 5.466 -5.584 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -2.081 5.516 -6.775 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -2.946 2.044 -4.727 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -3.673 3.592 -4.285 1.00 5.19 H new ATOM 636 N PRO A 43 -2.837 6.427 -2.719 1.00 3.30 N ATOM 637 CA PRO A 43 -3.320 6.195 -1.346 1.00 3.22 C ATOM 638 C PRO A 43 -4.495 5.203 -1.288 1.00 3.54 C ATOM 639 O PRO A 43 -5.010 4.788 -2.330 1.00 3.81 O ATOM 640 CB PRO A 43 -3.774 7.592 -0.892 1.00 2.89 C ATOM 641 CG PRO A 43 -3.803 8.461 -2.118 1.00 2.92 C ATOM 642 CD PRO A 43 -3.547 7.578 -3.312 1.00 3.17 C ATOM 0 HA PRO A 43 -2.550 5.751 -0.715 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -4.759 7.546 -0.428 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -3.089 7.998 -0.147 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -4.768 8.959 -2.211 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -3.046 9.242 -2.051 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -4.475 7.275 -3.798 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -2.942 8.082 -4.066 1.00 3.17 H new ATOM 650 N THR A 44 -4.912 4.831 -0.061 1.00 3.56 N ATOM 651 CA THR A 44 -6.037 3.902 0.138 1.00 3.90 C ATOM 652 C THR A 44 -7.376 4.641 -0.017 1.00 3.85 C ATOM 653 O THR A 44 -7.432 5.863 0.129 1.00 3.54 O ATOM 654 CB THR A 44 -5.983 3.216 1.526 1.00 4.01 C ATOM 655 OG1 THR A 44 -4.634 3.170 2.010 1.00 3.86 O ATOM 656 CG2 THR A 44 -6.536 1.797 1.458 1.00 4.50 C ATOM 0 H THR A 44 -4.485 5.161 0.805 1.00 3.56 H new ATOM 0 HA THR A 44 -5.954 3.128 -0.625 1.00 3.90 H new ATOM 0 HB THR A 44 -6.597 3.804 2.208 1.00 4.01 H new ATOM 0 HG1 THR A 44 -4.629 3.317 2.979 1.00 3.86 H new ATOM 0 HG21 THR A 44 -6.486 1.339 2.446 1.00 4.50 H new ATOM 0 HG22 THR A 44 -7.573 1.826 1.124 1.00 4.50 H new ATOM 0 HG23 THR A 44 -5.945 1.209 0.756 1.00 4.50 H new ATOM 664 N GLU A 45 -8.443 3.886 -0.308 1.00 4.21 N ATOM 665 CA GLU A 45 -9.786 4.458 -0.516 1.00 4.27 C ATOM 666 C GLU A 45 -10.522 4.785 0.792 1.00 4.16 C ATOM 667 O GLU A 45 -11.311 5.735 0.833 1.00 4.02 O ATOM 668 CB GLU A 45 -10.642 3.501 -1.357 1.00 4.73 C ATOM 669 CG GLU A 45 -10.250 3.437 -2.830 1.00 4.87 C ATOM 670 CD GLU A 45 -10.784 4.608 -3.638 1.00 5.41 C ATOM 671 OE1 GLU A 45 -10.077 5.634 -3.735 1.00 5.67 O ATOM 672 OE2 GLU A 45 -11.907 4.498 -4.173 1.00 5.89 O ATOM 0 H GLU A 45 -8.405 2.871 -0.406 1.00 4.21 H new ATOM 0 HA GLU A 45 -9.637 5.401 -1.041 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -10.572 2.500 -0.931 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -11.686 3.806 -1.284 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -9.163 3.413 -2.910 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -10.622 2.507 -3.259 1.00 4.87 H new ATOM 679 N ALA A 46 -10.265 4.005 1.848 1.00 4.29 N ATOM 680 CA ALA A 46 -10.933 4.201 3.142 1.00 4.30 C ATOM 681 C ALA A 46 -10.152 5.103 4.101 1.00 3.96 C ATOM 682 O ALA A 46 -10.736 5.650 5.041 1.00 3.93 O ATOM 683 CB ALA A 46 -11.189 2.857 3.805 1.00 4.70 C ATOM 0 H ALA A 46 -9.600 3.232 1.833 1.00 4.29 H new ATOM 0 HA ALA A 46 -11.874 4.707 2.927 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -11.684 3.013 4.763 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -11.826 2.249 3.162 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -10.241 2.344 3.966 1.00 4.70 H new ATOM 689 N GLU A 47 -8.842 5.258 3.867 1.00 3.76 N ATOM 690 CA GLU A 47 -7.989 6.071 4.736 1.00 3.47 C ATOM 691 C GLU A 47 -8.102 7.564 4.475 1.00 3.09 C ATOM 692 O GLU A 47 -7.940 8.359 5.404 1.00 2.91 O ATOM 693 CB GLU A 47 -6.526 5.625 4.638 1.00 3.43 C ATOM 694 CG GLU A 47 -6.249 4.280 5.296 1.00 3.78 C ATOM 695 CD GLU A 47 -4.768 4.017 5.483 1.00 3.77 C ATOM 696 OE1 GLU A 47 -4.186 3.279 4.660 1.00 3.72 O ATOM 697 OE2 GLU A 47 -4.190 4.550 6.453 1.00 4.19 O ATOM 0 H GLU A 47 -8.352 4.829 3.082 1.00 3.76 H new ATOM 0 HA GLU A 47 -8.353 5.905 5.750 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -6.242 5.570 3.587 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -5.893 6.383 5.100 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -6.746 4.245 6.266 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -6.681 3.486 4.687 1.00 3.78 H new ATOM 704 N LEU A 48 -8.384 7.951 3.224 1.00 3.03 N ATOM 705 CA LEU A 48 -8.535 9.376 2.859 1.00 2.71 C ATOM 706 C LEU A 48 -9.584 10.056 3.728 1.00 2.75 C ATOM 707 O LEU A 48 -9.560 11.265 3.920 1.00 2.53 O ATOM 708 CB LEU A 48 -8.945 9.554 1.402 1.00 2.77 C ATOM 709 CG LEU A 48 -8.215 8.695 0.378 1.00 2.90 C ATOM 710 CD1 LEU A 48 -9.161 8.264 -0.733 1.00 3.19 C ATOM 711 CD2 LEU A 48 -7.053 9.477 -0.186 1.00 2.63 C ATOM 0 H LEU A 48 -8.513 7.304 2.446 1.00 3.03 H new ATOM 0 HA LEU A 48 -7.558 9.833 3.017 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -10.012 9.348 1.321 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.801 10.601 1.133 1.00 2.77 H new ATOM 0 HG LEU A 48 -7.841 7.794 0.865 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -8.620 7.651 -1.454 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -9.981 7.685 -0.308 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -9.560 9.146 -1.234 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -6.526 8.867 -0.920 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -7.423 10.383 -0.666 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -6.370 9.746 0.620 1.00 2.63 H new ATOM 723 N GLN A 49 -10.519 9.252 4.219 1.00 3.08 N ATOM 724 CA GLN A 49 -11.576 9.726 5.097 1.00 3.22 C ATOM 725 C GLN A 49 -11.107 9.800 6.555 1.00 3.25 C ATOM 726 O GLN A 49 -11.490 10.726 7.268 1.00 3.25 O ATOM 727 CB GLN A 49 -12.801 8.811 5.000 1.00 3.61 C ATOM 728 CG GLN A 49 -13.579 8.956 3.699 1.00 3.67 C ATOM 729 CD GLN A 49 -14.784 8.038 3.635 1.00 4.10 C ATOM 730 OE1 GLN A 49 -15.883 8.407 4.049 1.00 4.58 O ATOM 731 NE2 GLN A 49 -14.583 6.834 3.113 1.00 4.30 N ATOM 0 H GLN A 49 -10.564 8.253 4.018 1.00 3.08 H new ATOM 0 HA GLN A 49 -11.844 10.731 4.771 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -12.478 7.775 5.105 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -13.468 9.023 5.836 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -13.908 9.989 3.590 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -12.918 8.741 2.859 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -13.655 6.570 2.782 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -15.357 6.173 3.043 1.00 4.30 H new ATOM 740 N ASP A 50 -10.288 8.820 6.995 1.00 3.34 N ATOM 741 CA ASP A 50 -9.818 8.786 8.390 1.00 3.43 C ATOM 742 C ASP A 50 -8.510 9.549 8.676 1.00 3.13 C ATOM 743 O ASP A 50 -8.493 10.388 9.576 1.00 3.13 O ATOM 744 CB ASP A 50 -9.685 7.365 8.899 1.00 3.76 C ATOM 745 CG ASP A 50 -11.006 6.615 8.929 1.00 4.11 C ATOM 746 OD1 ASP A 50 -11.698 6.674 9.967 1.00 4.38 O ATOM 747 OD2 ASP A 50 -11.346 5.970 7.915 1.00 4.38 O ATOM 0 H ASP A 50 -9.945 8.056 6.413 1.00 3.34 H new ATOM 0 HA ASP A 50 -10.601 9.318 8.930 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -8.981 6.824 8.267 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -9.262 7.384 9.903 1.00 3.76 H new ATOM 752 N MET A 51 -7.396 9.253 7.960 1.00 2.93 N ATOM 753 CA MET A 51 -6.112 9.951 8.247 1.00 2.66 C ATOM 754 C MET A 51 -6.191 11.417 7.898 1.00 2.39 C ATOM 755 O MET A 51 -5.572 12.255 8.560 1.00 2.30 O ATOM 756 CB MET A 51 -4.875 9.269 7.628 1.00 2.59 C ATOM 757 CG MET A 51 -5.073 8.682 6.247 1.00 2.35 C ATOM 758 SD MET A 51 -4.683 9.841 4.935 1.00 2.18 S ATOM 759 CE MET A 51 -5.216 8.853 3.561 1.00 2.48 C ATOM 0 H MET A 51 -7.355 8.565 7.208 1.00 2.93 H new ATOM 0 HA MET A 51 -5.965 9.872 9.324 1.00 2.66 H new ATOM 0 HB2 MET A 51 -4.066 9.998 7.580 1.00 2.59 H new ATOM 0 HB3 MET A 51 -4.548 8.474 8.298 1.00 2.59 H new ATOM 0 HG2 MET A 51 -4.447 7.796 6.141 1.00 2.35 H new ATOM 0 HG3 MET A 51 -6.108 8.355 6.141 1.00 2.35 H new ATOM 0 HE1 MET A 51 -5.546 9.504 2.751 1.00 2.48 H new ATOM 0 HE2 MET A 51 -4.388 8.234 3.215 1.00 2.48 H new ATOM 0 HE3 MET A 51 -6.042 8.213 3.872 1.00 2.48 H new ATOM 769 N ILE A 52 -6.972 11.717 6.875 1.00 2.33 N ATOM 770 CA ILE A 52 -7.227 13.083 6.464 1.00 2.15 C ATOM 771 C ILE A 52 -8.133 13.754 7.494 1.00 2.40 C ATOM 772 O ILE A 52 -8.154 14.967 7.623 1.00 2.36 O ATOM 773 CB ILE A 52 -7.846 13.100 5.046 1.00 2.10 C ATOM 774 CG1 ILE A 52 -6.762 13.413 4.031 1.00 1.78 C ATOM 775 CG2 ILE A 52 -9.020 14.066 4.908 1.00 2.22 C ATOM 776 CD1 ILE A 52 -6.425 12.252 3.130 1.00 1.85 C ATOM 0 H ILE A 52 -7.448 11.017 6.306 1.00 2.33 H new ATOM 0 HA ILE A 52 -6.294 13.645 6.416 1.00 2.15 H new ATOM 0 HB ILE A 52 -8.259 12.109 4.858 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -7.082 14.256 3.419 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -5.861 13.726 4.559 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -9.405 14.027 3.889 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -9.808 13.783 5.605 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -8.686 15.079 5.131 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -5.643 12.549 2.431 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -6.074 11.414 3.732 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -7.314 11.953 2.574 1.00 1.85 H new ATOM 788 N ASN A 53 -8.845 12.915 8.244 1.00 2.72 N ATOM 789 CA ASN A 53 -9.752 13.348 9.298 1.00 3.03 C ATOM 790 C ASN A 53 -8.988 13.820 10.508 1.00 3.09 C ATOM 791 O ASN A 53 -9.531 14.383 11.455 1.00 3.36 O ATOM 792 CB ASN A 53 -10.684 12.189 9.665 1.00 3.37 C ATOM 793 CG ASN A 53 -11.854 12.590 10.551 1.00 3.66 C ATOM 794 OD1 ASN A 53 -12.924 12.952 10.061 1.00 3.89 O ATOM 795 ND2 ASN A 53 -11.652 12.528 11.862 1.00 3.98 N ATOM 0 H ASN A 53 -8.805 11.902 8.133 1.00 2.72 H new ATOM 0 HA ASN A 53 -10.344 14.189 8.936 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -11.072 11.744 8.748 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -10.105 11.418 10.173 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -12.400 12.786 12.506 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -10.749 12.222 12.225 1.00 3.98 H new ATOM 802 N GLU A 54 -7.746 13.501 10.453 1.00 2.90 N ATOM 803 CA GLU A 54 -6.782 13.886 11.469 1.00 2.96 C ATOM 804 C GLU A 54 -6.199 15.267 11.166 1.00 2.77 C ATOM 805 O GLU A 54 -5.667 15.933 12.058 1.00 2.93 O ATOM 806 CB GLU A 54 -5.660 12.844 11.550 1.00 2.91 C ATOM 807 CG GLU A 54 -6.097 11.518 12.160 1.00 3.22 C ATOM 808 CD GLU A 54 -4.990 10.482 12.158 1.00 3.25 C ATOM 809 OE1 GLU A 54 -4.230 10.424 13.148 1.00 3.56 O ATOM 810 OE2 GLU A 54 -4.883 9.729 11.167 1.00 3.40 O ATOM 0 H GLU A 54 -7.343 12.954 9.692 1.00 2.90 H new ATOM 0 HA GLU A 54 -7.293 13.933 12.430 1.00 2.96 H new ATOM 0 HB2 GLU A 54 -5.272 12.662 10.548 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -4.839 13.252 12.140 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -6.431 11.686 13.184 1.00 3.22 H new ATOM 0 HG3 GLU A 54 -6.952 11.132 11.606 1.00 3.22 H new ATOM 817 N VAL A 55 -6.310 15.679 9.899 1.00 2.49 N ATOM 818 CA VAL A 55 -5.789 16.974 9.455 1.00 2.36 C ATOM 819 C VAL A 55 -6.832 17.826 8.726 1.00 2.40 C ATOM 820 O VAL A 55 -6.680 19.051 8.651 1.00 2.49 O ATOM 821 CB VAL A 55 -4.501 16.788 8.589 1.00 1.99 C ATOM 822 CG1 VAL A 55 -4.027 18.086 7.933 1.00 2.37 C ATOM 823 CG2 VAL A 55 -3.382 16.203 9.438 1.00 2.07 C ATOM 0 H VAL A 55 -6.757 15.133 9.163 1.00 2.49 H new ATOM 0 HA VAL A 55 -5.525 17.528 10.356 1.00 2.36 H new ATOM 0 HB VAL A 55 -4.762 16.101 7.784 1.00 1.99 H new ATOM 0 HG11 VAL A 55 -3.130 17.890 7.346 1.00 2.37 H new ATOM 0 HG12 VAL A 55 -4.811 18.471 7.281 1.00 2.37 H new ATOM 0 HG13 VAL A 55 -3.802 18.823 8.704 1.00 2.37 H new ATOM 0 HG21 VAL A 55 -2.489 16.077 8.826 1.00 2.07 H new ATOM 0 HG22 VAL A 55 -3.163 16.877 10.266 1.00 2.07 H new ATOM 0 HG23 VAL A 55 -3.692 15.235 9.831 1.00 2.07 H new ATOM 833 N ALA A 56 -7.894 17.208 8.225 1.00 2.43 N ATOM 834 CA ALA A 56 -8.913 17.958 7.507 1.00 2.53 C ATOM 835 C ALA A 56 -10.117 18.144 8.415 1.00 2.90 C ATOM 836 O ALA A 56 -11.208 18.539 7.984 1.00 3.05 O ATOM 837 CB ALA A 56 -9.264 17.259 6.205 1.00 2.36 C ATOM 0 H ALA A 56 -8.070 16.206 8.301 1.00 2.43 H new ATOM 0 HA ALA A 56 -8.539 18.945 7.236 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -10.028 17.832 5.679 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -8.373 17.183 5.581 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -9.643 16.260 6.419 1.00 2.36 H new ATOM 843 N ALA A 57 -9.871 17.865 9.697 1.00 3.08 N ATOM 844 CA ALA A 57 -10.870 17.980 10.732 1.00 3.45 C ATOM 845 C ALA A 57 -10.634 19.192 11.601 1.00 3.67 C ATOM 846 O ALA A 57 -9.525 19.448 12.075 1.00 3.69 O ATOM 847 CB ALA A 57 -10.932 16.724 11.575 1.00 3.64 C ATOM 0 H ALA A 57 -8.962 17.551 10.036 1.00 3.08 H new ATOM 0 HA ALA A 57 -11.833 18.107 10.237 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -11.693 16.841 12.346 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -11.184 15.873 10.942 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -9.963 16.553 12.045 1.00 3.64 H new ATOM 886 N GLY A 61 -14.584 21.025 6.130 1.00 3.52 N ATOM 887 CA GLY A 61 -15.123 20.208 5.049 1.00 3.44 C ATOM 888 C GLY A 61 -14.084 19.785 4.018 1.00 3.11 C ATOM 889 O GLY A 61 -14.421 19.079 3.063 1.00 3.10 O ATOM 0 HA2 GLY A 61 -15.582 19.316 5.475 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -15.914 20.764 4.546 1.00 3.44 H new ATOM 893 N THR A 62 -12.823 20.212 4.204 1.00 2.91 N ATOM 894 CA THR A 62 -11.733 19.856 3.286 1.00 2.61 C ATOM 895 C THR A 62 -10.393 19.710 4.027 1.00 2.41 C ATOM 896 O THR A 62 -10.330 19.846 5.252 1.00 2.55 O ATOM 897 CB THR A 62 -11.583 20.865 2.118 1.00 2.62 C ATOM 898 OG1 THR A 62 -11.610 22.206 2.617 1.00 2.84 O ATOM 899 CG2 THR A 62 -12.683 20.677 1.079 1.00 2.75 C ATOM 0 H THR A 62 -12.536 20.804 4.983 1.00 2.91 H new ATOM 0 HA THR A 62 -12.006 18.891 2.859 1.00 2.61 H new ATOM 0 HB THR A 62 -10.623 20.678 1.636 1.00 2.62 H new ATOM 0 HG1 THR A 62 -10.838 22.700 2.269 1.00 2.84 H new ATOM 0 HG21 THR A 62 -12.550 21.399 0.273 1.00 2.75 H new ATOM 0 HG22 THR A 62 -12.631 19.667 0.673 1.00 2.75 H new ATOM 0 HG23 THR A 62 -13.655 20.831 1.547 1.00 2.75 H new ATOM 907 N ILE A 63 -9.332 19.469 3.250 1.00 2.14 N ATOM 908 CA ILE A 63 -7.980 19.237 3.741 1.00 1.93 C ATOM 909 C ILE A 63 -7.076 20.403 3.469 1.00 1.95 C ATOM 910 O ILE A 63 -7.076 20.934 2.378 1.00 1.99 O ATOM 911 CB ILE A 63 -7.243 18.121 2.984 1.00 1.63 C ATOM 912 CG1 ILE A 63 -8.102 17.452 1.895 1.00 1.70 C ATOM 913 CG2 ILE A 63 -6.573 17.068 3.880 1.00 1.51 C ATOM 914 CD1 ILE A 63 -9.138 16.478 2.414 1.00 1.95 C ATOM 0 H ILE A 63 -9.398 19.430 2.233 1.00 2.14 H new ATOM 0 HA ILE A 63 -8.141 19.017 4.796 1.00 1.93 H new ATOM 0 HB ILE A 63 -6.432 18.652 2.487 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -8.609 18.229 1.323 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -7.443 16.926 1.204 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -6.079 16.322 3.258 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -5.836 17.552 4.521 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -7.328 16.582 4.498 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -9.694 16.057 1.576 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -8.642 15.676 2.960 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -9.825 16.999 3.080 1.00 1.95 H new ATOM 926 N ASP A 64 -6.234 20.705 4.422 1.00 2.01 N ATOM 927 CA ASP A 64 -5.252 21.751 4.280 1.00 2.12 C ATOM 928 C ASP A 64 -3.899 21.114 3.916 1.00 1.86 C ATOM 929 O ASP A 64 -3.706 19.915 4.136 1.00 1.62 O ATOM 930 CB ASP A 64 -5.154 22.631 5.535 1.00 2.46 C ATOM 931 CG ASP A 64 -4.738 21.881 6.795 1.00 2.46 C ATOM 932 OD1 ASP A 64 -3.520 21.793 7.059 1.00 2.68 O ATOM 933 OD2 ASP A 64 -5.631 21.385 7.514 1.00 2.74 O ATOM 0 H ASP A 64 -6.209 20.230 5.324 1.00 2.01 H new ATOM 0 HA ASP A 64 -5.561 22.420 3.477 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -4.437 23.431 5.349 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -6.121 23.104 5.710 1.00 2.46 H new ATOM 938 N PHE A 65 -2.971 21.906 3.372 1.00 1.97 N ATOM 939 CA PHE A 65 -1.673 21.380 2.924 1.00 1.80 C ATOM 940 C PHE A 65 -0.627 21.142 4.061 1.00 1.83 C ATOM 941 O PHE A 65 0.008 20.086 4.059 1.00 1.60 O ATOM 942 CB PHE A 65 -1.065 22.314 1.858 1.00 2.04 C ATOM 943 CG PHE A 65 0.066 21.703 1.055 1.00 1.95 C ATOM 944 CD1 PHE A 65 1.360 22.187 1.158 1.00 2.40 C ATOM 945 CD2 PHE A 65 -0.178 20.650 0.195 1.00 2.11 C ATOM 946 CE1 PHE A 65 2.380 21.625 0.412 1.00 2.45 C ATOM 947 CE2 PHE A 65 0.825 20.081 -0.555 1.00 2.08 C ATOM 948 CZ PHE A 65 2.111 20.572 -0.445 1.00 1.96 C ATOM 0 H PHE A 65 -3.091 22.909 3.230 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.892 20.396 2.510 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -1.854 22.623 1.172 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.698 23.215 2.350 1.00 2.04 H new ATOM 0 HD1 PHE A 65 1.574 23.009 1.825 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -1.183 20.263 0.109 1.00 2.11 H new ATOM 0 HE1 PHE A 65 3.386 22.008 0.498 1.00 2.45 H new ATOM 0 HE2 PHE A 65 0.609 19.260 -1.222 1.00 2.08 H new ATOM 0 HZ PHE A 65 2.908 20.134 -1.028 1.00 1.96 H new ATOM 958 N PRO A 66 -0.427 22.096 5.043 1.00 2.16 N ATOM 959 CA PRO A 66 0.610 21.982 6.116 1.00 2.30 C ATOM 960 C PRO A 66 0.834 20.592 6.764 1.00 2.09 C ATOM 961 O PRO A 66 1.956 20.083 6.730 1.00 2.04 O ATOM 962 CB PRO A 66 0.117 22.982 7.162 1.00 2.67 C ATOM 963 CG PRO A 66 -0.529 24.056 6.370 1.00 2.78 C ATOM 964 CD PRO A 66 -1.189 23.370 5.202 1.00 2.48 C ATOM 0 HA PRO A 66 1.592 22.170 5.682 1.00 2.30 H new ATOM 0 HB2 PRO A 66 -0.588 22.519 7.853 1.00 2.67 H new ATOM 0 HB3 PRO A 66 0.941 23.370 7.760 1.00 2.67 H new ATOM 0 HG2 PRO A 66 -1.261 24.597 6.970 1.00 2.78 H new ATOM 0 HG3 PRO A 66 0.206 24.786 6.030 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -2.245 23.180 5.397 1.00 2.48 H new ATOM 0 HD3 PRO A 66 -1.136 23.980 4.300 1.00 2.48 H new ATOM 972 N GLU A 67 -0.204 19.995 7.366 1.00 2.04 N ATOM 973 CA GLU A 67 -0.065 18.695 8.034 1.00 1.95 C ATOM 974 C GLU A 67 -0.331 17.499 7.145 1.00 1.60 C ATOM 975 O GLU A 67 -0.026 16.359 7.504 1.00 1.59 O ATOM 976 CB GLU A 67 -0.882 18.636 9.331 1.00 2.24 C ATOM 977 CG GLU A 67 -0.253 19.389 10.500 1.00 2.61 C ATOM 978 CD GLU A 67 -0.467 20.892 10.424 1.00 3.15 C ATOM 979 OE1 GLU A 67 -1.520 21.366 10.900 1.00 3.47 O ATOM 980 OE2 GLU A 67 0.420 21.591 9.891 1.00 3.66 O ATOM 0 H GLU A 67 -1.144 20.389 7.404 1.00 2.04 H new ATOM 0 HA GLU A 67 0.991 18.620 8.293 1.00 1.95 H new ATOM 0 HB2 GLU A 67 -1.874 19.045 9.141 1.00 2.24 H new ATOM 0 HB3 GLU A 67 -1.017 17.592 9.616 1.00 2.24 H new ATOM 0 HG2 GLU A 67 -0.673 19.015 11.434 1.00 2.61 H new ATOM 0 HG3 GLU A 67 0.817 19.181 10.525 1.00 2.61 H new ATOM 987 N PHE A 68 -0.898 17.773 6.002 1.00 1.40 N ATOM 988 CA PHE A 68 -1.225 16.739 5.006 1.00 1.10 C ATOM 989 C PHE A 68 0.077 16.063 4.499 1.00 0.99 C ATOM 990 O PHE A 68 0.048 14.896 4.109 1.00 0.94 O ATOM 991 CB PHE A 68 -2.106 17.368 3.897 1.00 1.04 C ATOM 992 CG PHE A 68 -2.280 16.615 2.595 1.00 0.89 C ATOM 993 CD1 PHE A 68 -1.596 17.034 1.464 1.00 1.36 C ATOM 994 CD2 PHE A 68 -3.178 15.551 2.474 1.00 1.60 C ATOM 995 CE1 PHE A 68 -1.800 16.425 0.241 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.369 14.939 1.260 1.00 1.57 C ATOM 997 CZ PHE A 68 -2.688 15.379 0.133 1.00 1.15 C ATOM 0 H PHE A 68 -1.155 18.718 5.716 1.00 1.40 H new ATOM 0 HA PHE A 68 -1.815 15.934 5.444 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -3.098 17.536 4.317 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -1.690 18.347 3.660 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -0.892 17.850 1.540 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -3.725 15.208 3.340 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -1.263 16.770 -0.630 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -4.055 14.108 1.181 1.00 1.57 H new ATOM 0 HZ PHE A 68 -2.854 14.904 -0.822 1.00 1.15 H new ATOM 1007 N LEU A 69 1.213 16.813 4.525 1.00 1.15 N ATOM 1008 CA LEU A 69 2.539 16.268 4.135 1.00 1.24 C ATOM 1009 C LEU A 69 3.195 15.513 5.287 1.00 1.42 C ATOM 1010 O LEU A 69 3.876 14.509 5.069 1.00 1.53 O ATOM 1011 CB LEU A 69 3.540 17.333 3.668 1.00 1.51 C ATOM 1012 CG LEU A 69 2.980 18.575 2.998 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.013 19.718 3.977 1.00 1.82 C ATOM 1014 CD2 LEU A 69 3.798 18.920 1.774 1.00 1.76 C ATOM 0 H LEU A 69 1.235 17.792 4.811 1.00 1.15 H new ATOM 0 HA LEU A 69 2.316 15.605 3.299 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.121 17.651 4.534 1.00 1.51 H new ATOM 0 HB3 LEU A 69 4.235 16.860 2.974 1.00 1.51 H new ATOM 0 HG LEU A 69 1.952 18.388 2.687 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.612 20.614 3.503 1.00 1.82 H new ATOM 0 HD12 LEU A 69 2.409 19.468 4.849 1.00 1.82 H new ATOM 0 HD13 LEU A 69 4.041 19.901 4.288 1.00 1.82 H new ATOM 0 HD21 LEU A 69 3.387 19.812 1.302 1.00 1.76 H new ATOM 0 HD22 LEU A 69 4.831 19.108 2.068 1.00 1.76 H new ATOM 0 HD23 LEU A 69 3.766 18.089 1.069 1.00 1.76 H new ATOM 1026 N THR A 70 3.011 16.021 6.516 1.00 1.58 N ATOM 1027 CA THR A 70 3.605 15.394 7.717 1.00 1.88 C ATOM 1028 C THR A 70 3.071 13.978 7.904 1.00 1.87 C ATOM 1029 O THR A 70 3.793 13.077 8.340 1.00 2.04 O ATOM 1030 CB THR A 70 3.351 16.214 9.001 1.00 2.19 C ATOM 1031 OG1 THR A 70 1.966 16.553 9.112 1.00 2.14 O ATOM 1032 CG2 THR A 70 4.192 17.484 9.017 1.00 2.80 C ATOM 0 H THR A 70 2.460 16.858 6.708 1.00 1.58 H new ATOM 0 HA THR A 70 4.682 15.363 7.550 1.00 1.88 H new ATOM 0 HB THR A 70 3.639 15.596 9.852 1.00 2.19 H new ATOM 0 HG1 THR A 70 1.470 16.148 8.371 1.00 2.14 H new ATOM 0 HG21 THR A 70 3.992 18.041 9.932 1.00 2.80 H new ATOM 0 HG22 THR A 70 5.249 17.221 8.975 1.00 2.80 H new ATOM 0 HG23 THR A 70 3.937 18.100 8.155 1.00 2.80 H new ATOM 1040 N MET A 71 1.792 13.811 7.565 1.00 1.77 N ATOM 1041 CA MET A 71 1.111 12.520 7.627 1.00 1.91 C ATOM 1042 C MET A 71 1.407 11.680 6.369 1.00 1.83 C ATOM 1043 O MET A 71 1.270 10.458 6.392 1.00 2.06 O ATOM 1044 CB MET A 71 -0.406 12.717 7.813 1.00 2.01 C ATOM 1045 CG MET A 71 -1.070 13.614 6.769 1.00 2.31 C ATOM 1046 SD MET A 71 -2.787 13.976 7.160 1.00 2.07 S ATOM 1047 CE MET A 71 -3.621 12.623 6.343 1.00 1.57 C ATOM 0 H MET A 71 1.197 14.573 7.238 1.00 1.77 H new ATOM 0 HA MET A 71 1.493 11.974 8.490 1.00 1.91 H new ATOM 0 HB2 MET A 71 -0.890 11.740 7.793 1.00 2.01 H new ATOM 0 HB3 MET A 71 -0.584 13.141 8.801 1.00 2.01 H new ATOM 0 HG2 MET A 71 -0.514 14.548 6.692 1.00 2.31 H new ATOM 0 HG3 MET A 71 -1.018 13.130 5.794 1.00 2.31 H new ATOM 0 HE1 MET A 71 -4.654 12.903 6.137 1.00 1.57 H new ATOM 0 HE2 MET A 71 -3.113 12.395 5.406 1.00 1.57 H new ATOM 0 HE3 MET A 71 -3.605 11.744 6.987 1.00 1.57 H new ATOM 1057 N MET A 72 1.805 12.366 5.274 1.00 1.61 N ATOM 1058 CA MET A 72 2.119 11.731 3.972 1.00 1.69 C ATOM 1059 C MET A 72 3.045 10.510 4.097 1.00 1.97 C ATOM 1060 O MET A 72 2.925 9.561 3.316 1.00 2.17 O ATOM 1061 CB MET A 72 2.739 12.762 3.024 1.00 1.60 C ATOM 1062 CG MET A 72 1.723 13.480 2.153 1.00 1.46 C ATOM 1063 SD MET A 72 0.954 12.412 0.929 1.00 1.69 S ATOM 1064 CE MET A 72 0.243 13.650 -0.152 1.00 1.53 C ATOM 0 H MET A 72 1.918 13.380 5.268 1.00 1.61 H new ATOM 0 HA MET A 72 1.175 11.366 3.567 1.00 1.69 H new ATOM 0 HB2 MET A 72 3.286 13.499 3.611 1.00 1.60 H new ATOM 0 HB3 MET A 72 3.465 12.262 2.383 1.00 1.60 H new ATOM 0 HG2 MET A 72 0.948 13.909 2.789 1.00 1.46 H new ATOM 0 HG3 MET A 72 2.213 14.310 1.644 1.00 1.46 H new ATOM 0 HE1 MET A 72 -0.796 13.396 -0.363 1.00 1.53 H new ATOM 0 HE2 MET A 72 0.286 14.625 0.333 1.00 1.53 H new ATOM 0 HE3 MET A 72 0.805 13.684 -1.085 1.00 1.53 H new ATOM 1207 N SER A 81 3.762 -2.655 3.768 1.00 3.49 N ATOM 1208 CA SER A 81 3.539 -4.088 3.970 1.00 3.36 C ATOM 1209 C SER A 81 4.002 -4.925 2.772 1.00 2.88 C ATOM 1210 O SER A 81 4.237 -6.127 2.900 1.00 2.79 O ATOM 1211 CB SER A 81 2.060 -4.359 4.252 1.00 3.71 C ATOM 1212 OG SER A 81 1.629 -3.676 5.417 1.00 4.35 O ATOM 0 HA SER A 81 4.138 -4.387 4.830 1.00 3.36 H new ATOM 0 HB2 SER A 81 1.460 -4.043 3.399 1.00 3.71 H new ATOM 0 HB3 SER A 81 1.900 -5.430 4.375 1.00 3.71 H new ATOM 0 HG SER A 81 2.093 -2.815 5.482 1.00 4.35 H new ATOM 1218 N GLU A 82 4.127 -4.269 1.618 1.00 2.97 N ATOM 1219 CA GLU A 82 4.564 -4.921 0.371 1.00 3.25 C ATOM 1220 C GLU A 82 6.084 -4.997 0.285 1.00 3.85 C ATOM 1221 O GLU A 82 6.644 -5.835 -0.424 1.00 4.27 O ATOM 1222 CB GLU A 82 4.036 -4.150 -0.840 1.00 3.94 C ATOM 1223 CG GLU A 82 2.521 -4.213 -1.024 1.00 4.12 C ATOM 1224 CD GLU A 82 1.774 -3.224 -0.145 1.00 4.93 C ATOM 1225 OE1 GLU A 82 1.414 -3.595 0.991 1.00 5.51 O ATOM 1226 OE2 GLU A 82 1.552 -2.081 -0.596 1.00 5.25 O ATOM 0 H GLU A 82 3.930 -3.273 1.515 1.00 2.97 H new ATOM 0 HA GLU A 82 4.162 -5.934 0.373 1.00 3.25 H new ATOM 0 HB2 GLU A 82 4.334 -3.106 -0.747 1.00 3.94 H new ATOM 0 HB3 GLU A 82 4.514 -4.540 -1.739 1.00 3.94 H new ATOM 0 HG2 GLU A 82 2.279 -4.017 -2.069 1.00 4.12 H new ATOM 0 HG3 GLU A 82 2.175 -5.222 -0.801 1.00 4.12 H new ATOM 1233 N GLU A 83 6.733 -4.083 0.992 1.00 4.18 N ATOM 1234 CA GLU A 83 8.201 -4.015 1.057 1.00 5.12 C ATOM 1235 C GLU A 83 8.784 -5.202 1.838 1.00 5.33 C ATOM 1236 O GLU A 83 9.954 -5.549 1.666 1.00 6.21 O ATOM 1237 CB GLU A 83 8.647 -2.698 1.700 1.00 5.53 C ATOM 1238 CG GLU A 83 8.500 -1.489 0.787 1.00 5.74 C ATOM 1239 CD GLU A 83 8.949 -0.201 1.447 1.00 6.48 C ATOM 1240 OE1 GLU A 83 10.168 0.071 1.450 1.00 6.88 O ATOM 1241 OE2 GLU A 83 8.082 0.538 1.960 1.00 6.89 O ATOM 0 H GLU A 83 6.263 -3.363 1.541 1.00 4.18 H new ATOM 0 HA GLU A 83 8.579 -4.062 0.036 1.00 5.12 H new ATOM 0 HB2 GLU A 83 8.064 -2.531 2.606 1.00 5.53 H new ATOM 0 HB3 GLU A 83 9.690 -2.788 2.004 1.00 5.53 H new ATOM 0 HG2 GLU A 83 9.083 -1.650 -0.120 1.00 5.74 H new ATOM 0 HG3 GLU A 83 7.458 -1.393 0.483 1.00 5.74 H new ATOM 1248 N GLU A 84 7.946 -5.815 2.691 1.00 4.72 N ATOM 1249 CA GLU A 84 8.349 -6.960 3.518 1.00 5.16 C ATOM 1250 C GLU A 84 8.258 -8.295 2.763 1.00 4.87 C ATOM 1251 O GLU A 84 9.073 -9.192 3.000 1.00 5.53 O ATOM 1252 CB GLU A 84 7.491 -7.026 4.785 1.00 5.11 C ATOM 1253 CG GLU A 84 7.859 -5.984 5.831 1.00 5.77 C ATOM 1254 CD GLU A 84 7.000 -6.080 7.077 1.00 6.38 C ATOM 1255 OE1 GLU A 84 7.383 -6.821 8.007 1.00 6.86 O ATOM 1256 OE2 GLU A 84 5.944 -5.414 7.123 1.00 6.68 O ATOM 0 H GLU A 84 6.976 -5.531 2.825 1.00 4.72 H new ATOM 0 HA GLU A 84 9.395 -6.805 3.784 1.00 5.16 H new ATOM 0 HB2 GLU A 84 6.444 -6.898 4.511 1.00 5.11 H new ATOM 0 HB3 GLU A 84 7.586 -8.019 5.225 1.00 5.11 H new ATOM 0 HG2 GLU A 84 8.907 -6.105 6.106 1.00 5.77 H new ATOM 0 HG3 GLU A 84 7.756 -4.989 5.399 1.00 5.77 H new ATOM 1263 N ILE A 85 7.269 -8.427 1.855 1.00 3.98 N ATOM 1264 CA ILE A 85 7.079 -9.661 1.070 1.00 3.69 C ATOM 1265 C ILE A 85 8.196 -9.891 0.078 1.00 4.63 C ATOM 1266 O ILE A 85 8.834 -10.945 0.090 1.00 5.03 O ATOM 1267 CB ILE A 85 5.700 -9.730 0.349 1.00 2.77 C ATOM 1268 CG1 ILE A 85 5.312 -8.391 -0.289 1.00 3.16 C ATOM 1269 CG2 ILE A 85 4.614 -10.148 1.322 1.00 1.99 C ATOM 1270 CD1 ILE A 85 4.919 -8.483 -1.748 1.00 3.97 C ATOM 0 H ILE A 85 6.591 -7.694 1.648 1.00 3.98 H new ATOM 0 HA ILE A 85 7.101 -10.464 1.806 1.00 3.69 H new ATOM 0 HB ILE A 85 5.797 -10.471 -0.445 1.00 2.77 H new ATOM 0 HG12 ILE A 85 4.481 -7.963 0.272 1.00 3.16 H new ATOM 0 HG13 ILE A 85 6.150 -7.701 -0.194 1.00 3.16 H new ATOM 0 HG21 ILE A 85 3.657 -10.191 0.802 1.00 1.99 H new ATOM 0 HG22 ILE A 85 4.850 -11.131 1.730 1.00 1.99 H new ATOM 0 HG23 ILE A 85 4.554 -9.423 2.133 1.00 1.99 H new ATOM 0 HD11 ILE A 85 4.660 -7.491 -2.118 1.00 3.97 H new ATOM 0 HD12 ILE A 85 5.754 -8.879 -2.325 1.00 3.97 H new ATOM 0 HD13 ILE A 85 4.059 -9.145 -1.852 1.00 3.97 H new ATOM 1282 N ARG A 86 8.445 -8.892 -0.755 1.00 5.19 N ATOM 1283 CA ARG A 86 9.528 -8.952 -1.746 1.00 6.32 C ATOM 1284 C ARG A 86 10.852 -9.271 -1.080 1.00 7.11 C ATOM 1285 O ARG A 86 11.779 -9.779 -1.719 1.00 7.98 O ATOM 1286 CB ARG A 86 9.711 -7.612 -2.426 1.00 6.99 C ATOM 1287 CG ARG A 86 9.334 -7.612 -3.898 1.00 7.36 C ATOM 1288 CD ARG A 86 9.490 -6.231 -4.514 1.00 8.25 C ATOM 1289 NE ARG A 86 9.116 -6.216 -5.932 1.00 8.76 N ATOM 1290 CZ ARG A 86 9.068 -5.117 -6.698 1.00 9.65 C ATOM 1291 NH1 ARG A 86 9.368 -3.917 -6.202 1.00 10.08 N ATOM 1292 NH2 ARG A 86 8.715 -5.222 -7.972 1.00 10.26 N ATOM 0 H ARG A 86 7.913 -8.022 -0.770 1.00 5.19 H new ATOM 0 HA ARG A 86 9.251 -9.724 -2.463 1.00 6.32 H new ATOM 0 HB2 ARG A 86 9.108 -6.867 -1.907 1.00 6.99 H new ATOM 0 HB3 ARG A 86 10.752 -7.305 -2.328 1.00 6.99 H new ATOM 0 HG2 ARG A 86 9.961 -8.324 -4.435 1.00 7.36 H new ATOM 0 HG3 ARG A 86 8.303 -7.947 -4.010 1.00 7.36 H new ATOM 0 HD2 ARG A 86 8.871 -5.519 -3.968 1.00 8.25 H new ATOM 0 HD3 ARG A 86 10.524 -5.902 -4.408 1.00 8.25 H new ATOM 0 HE ARG A 86 8.875 -7.107 -6.367 1.00 8.76 H new ATOM 0 HH11 ARG A 86 9.640 -3.823 -5.223 1.00 10.08 H new ATOM 0 HH12 ARG A 86 9.326 -3.092 -6.801 1.00 10.08 H new ATOM 0 HH21 ARG A 86 8.482 -6.135 -8.363 1.00 10.26 H new ATOM 0 HH22 ARG A 86 8.676 -4.390 -8.561 1.00 10.26 H new ATOM 1306 N GLU A 87 10.916 -8.962 0.218 1.00 6.95 N ATOM 1307 CA GLU A 87 12.133 -9.158 0.977 1.00 7.91 C ATOM 1308 C GLU A 87 12.239 -10.581 1.525 1.00 7.97 C ATOM 1309 O GLU A 87 13.338 -11.111 1.715 1.00 8.94 O ATOM 1310 CB GLU A 87 12.243 -8.142 2.116 1.00 8.02 C ATOM 1311 CG GLU A 87 12.742 -6.777 1.669 1.00 8.75 C ATOM 1312 CD GLU A 87 12.987 -5.836 2.833 1.00 9.11 C ATOM 1313 OE1 GLU A 87 12.045 -5.113 3.220 1.00 9.62 O ATOM 1314 OE2 GLU A 87 14.121 -5.823 3.357 1.00 9.05 O ATOM 0 H GLU A 87 10.138 -8.578 0.754 1.00 6.95 H new ATOM 0 HA GLU A 87 12.964 -9.002 0.289 1.00 7.91 H new ATOM 0 HB2 GLU A 87 11.265 -8.027 2.584 1.00 8.02 H new ATOM 0 HB3 GLU A 87 12.917 -8.534 2.878 1.00 8.02 H new ATOM 0 HG2 GLU A 87 13.666 -6.899 1.104 1.00 8.75 H new ATOM 0 HG3 GLU A 87 12.012 -6.331 0.993 1.00 8.75 H new ATOM 1321 N ALA A 88 11.071 -11.177 1.771 1.00 7.00 N ATOM 1322 CA ALA A 88 10.961 -12.527 2.323 1.00 7.06 C ATOM 1323 C ALA A 88 10.937 -13.599 1.236 1.00 7.01 C ATOM 1324 O ALA A 88 11.612 -14.617 1.340 1.00 7.73 O ATOM 1325 CB ALA A 88 9.719 -12.636 3.171 1.00 6.21 C ATOM 0 H ALA A 88 10.170 -10.734 1.592 1.00 7.00 H new ATOM 0 HA ALA A 88 11.847 -12.699 2.934 1.00 7.06 H new ATOM 0 HB1 ALA A 88 9.644 -13.644 3.579 1.00 6.21 H new ATOM 0 HB2 ALA A 88 9.772 -11.917 3.989 1.00 6.21 H new ATOM 0 HB3 ALA A 88 8.841 -12.426 2.560 1.00 6.21 H new ATOM 1331 N PHE A 89 10.091 -13.395 0.227 1.00 6.21 N ATOM 1332 CA PHE A 89 9.979 -14.302 -0.926 1.00 6.21 C ATOM 1333 C PHE A 89 11.322 -14.605 -1.605 1.00 7.49 C ATOM 1334 O PHE A 89 11.438 -15.582 -2.345 1.00 7.70 O ATOM 1335 CB PHE A 89 8.964 -13.726 -1.907 1.00 5.56 C ATOM 1336 CG PHE A 89 7.581 -13.910 -1.392 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.835 -14.987 -1.805 1.00 3.84 C ATOM 1338 CD2 PHE A 89 7.052 -13.046 -0.440 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.597 -15.211 -1.290 1.00 2.77 C ATOM 1340 CE2 PHE A 89 5.804 -13.255 0.069 1.00 2.72 C ATOM 1341 CZ PHE A 89 5.074 -14.349 -0.358 1.00 1.93 C ATOM 0 H PHE A 89 9.460 -12.595 0.181 1.00 6.21 H new ATOM 0 HA PHE A 89 9.633 -15.269 -0.560 1.00 6.21 H new ATOM 0 HB2 PHE A 89 9.162 -12.666 -2.064 1.00 5.56 H new ATOM 0 HB3 PHE A 89 9.066 -14.216 -2.875 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.236 -15.662 -2.546 1.00 3.84 H new ATOM 0 HD2 PHE A 89 7.634 -12.202 -0.101 1.00 3.79 H new ATOM 0 HE1 PHE A 89 5.025 -16.067 -1.614 1.00 2.77 H new ATOM 0 HE2 PHE A 89 5.390 -12.573 0.798 1.00 2.72 H new ATOM 0 HZ PHE A 89 4.087 -14.526 0.044 1.00 1.93 H new ATOM 1351 N ARG A 90 12.331 -13.764 -1.348 1.00 8.36 N ATOM 1352 CA ARG A 90 13.675 -13.972 -1.891 1.00 9.63 C ATOM 1353 C ARG A 90 14.430 -15.030 -1.066 1.00 10.20 C ATOM 1354 O ARG A 90 15.501 -15.492 -1.470 1.00 11.20 O ATOM 1355 CB ARG A 90 14.460 -12.656 -1.905 1.00 10.38 C ATOM 1356 CG ARG A 90 14.013 -11.685 -2.989 1.00 10.73 C ATOM 1357 CD ARG A 90 14.849 -10.416 -2.980 1.00 11.51 C ATOM 1358 NE ARG A 90 14.437 -9.479 -4.032 1.00 12.01 N ATOM 1359 CZ ARG A 90 15.076 -8.339 -4.333 1.00 12.77 C ATOM 1360 NH1 ARG A 90 16.170 -7.967 -3.672 1.00 13.10 N ATOM 1361 NH2 ARG A 90 14.612 -7.568 -5.307 1.00 13.29 N ATOM 0 H ARG A 90 12.240 -12.932 -0.766 1.00 8.36 H new ATOM 0 HA ARG A 90 13.578 -14.330 -2.916 1.00 9.63 H new ATOM 0 HB2 ARG A 90 14.358 -12.173 -0.933 1.00 10.38 H new ATOM 0 HB3 ARG A 90 15.519 -12.877 -2.042 1.00 10.38 H new ATOM 0 HG2 ARG A 90 14.091 -12.166 -3.964 1.00 10.73 H new ATOM 0 HG3 ARG A 90 12.963 -11.431 -2.841 1.00 10.73 H new ATOM 0 HD2 ARG A 90 14.761 -9.931 -2.008 1.00 11.51 H new ATOM 0 HD3 ARG A 90 15.900 -10.673 -3.114 1.00 11.51 H new ATOM 0 HE ARG A 90 13.604 -9.712 -4.573 1.00 12.01 H new ATOM 0 HH11 ARG A 90 16.536 -8.553 -2.922 1.00 13.10 H new ATOM 0 HH12 ARG A 90 16.642 -7.096 -3.916 1.00 13.10 H new ATOM 0 HH21 ARG A 90 13.775 -7.844 -5.821 1.00 13.29 H new ATOM 0 HH22 ARG A 90 15.092 -6.699 -5.542 1.00 13.29 H new ATOM 1375 N VAL A 91 13.850 -15.403 0.093 1.00 9.66 N ATOM 1376 CA VAL A 91 14.420 -16.384 0.982 1.00 10.29 C ATOM 1377 C VAL A 91 13.756 -17.749 0.813 1.00 9.81 C ATOM 1378 O VAL A 91 14.432 -18.780 0.748 1.00 10.52 O ATOM 1379 CB VAL A 91 14.266 -15.992 2.466 1.00 10.33 C ATOM 1380 CG1 VAL A 91 15.524 -16.320 3.259 1.00 11.64 C ATOM 1381 CG2 VAL A 91 13.865 -14.537 2.666 1.00 9.85 C ATOM 0 H VAL A 91 12.966 -15.017 0.423 1.00 9.66 H new ATOM 0 HA VAL A 91 15.476 -16.431 0.716 1.00 10.29 H new ATOM 0 HB VAL A 91 13.444 -16.595 2.851 1.00 10.33 H new ATOM 0 HG11 VAL A 91 15.383 -16.032 4.301 1.00 11.64 H new ATOM 0 HG12 VAL A 91 15.721 -17.391 3.202 1.00 11.64 H new ATOM 0 HG13 VAL A 91 16.370 -15.773 2.842 1.00 11.64 H new ATOM 0 HG21 VAL A 91 13.774 -14.328 3.732 1.00 9.85 H new ATOM 0 HG22 VAL A 91 14.625 -13.887 2.232 1.00 9.85 H new ATOM 0 HG23 VAL A 91 12.908 -14.353 2.177 1.00 9.85 H new ATOM 1391 N PHE A 92 12.426 -17.724 0.742 1.00 8.63 N ATOM 1392 CA PHE A 92 11.615 -18.945 0.648 1.00 8.08 C ATOM 1393 C PHE A 92 11.256 -19.340 -0.781 1.00 7.58 C ATOM 1394 O PHE A 92 11.078 -20.529 -1.062 1.00 7.57 O ATOM 1395 CB PHE A 92 10.298 -18.753 1.396 1.00 7.14 C ATOM 1396 CG PHE A 92 10.409 -18.216 2.797 1.00 7.60 C ATOM 1397 CD1 PHE A 92 10.426 -19.076 3.880 1.00 7.95 C ATOM 1398 CD2 PHE A 92 10.441 -16.847 3.028 1.00 7.88 C ATOM 1399 CE1 PHE A 92 10.471 -18.586 5.168 1.00 8.45 C ATOM 1400 CE2 PHE A 92 10.490 -16.353 4.310 1.00 8.39 C ATOM 1401 CZ PHE A 92 10.500 -17.221 5.386 1.00 8.62 C ATOM 0 H PHE A 92 11.879 -16.863 0.748 1.00 8.63 H new ATOM 0 HA PHE A 92 12.231 -19.733 1.080 1.00 8.08 H new ATOM 0 HB2 PHE A 92 9.669 -18.076 0.817 1.00 7.14 H new ATOM 0 HB3 PHE A 92 9.782 -19.712 1.435 1.00 7.14 H new ATOM 0 HD1 PHE A 92 10.404 -20.143 3.715 1.00 7.95 H new ATOM 0 HD2 PHE A 92 10.427 -16.163 2.192 1.00 7.88 H new ATOM 0 HE1 PHE A 92 10.484 -19.268 6.006 1.00 8.45 H new ATOM 0 HE2 PHE A 92 10.521 -15.286 4.477 1.00 8.39 H new ATOM 0 HZ PHE A 92 10.530 -16.834 6.394 1.00 8.62 H new ATOM 1411 N ALA A 93 11.150 -18.360 -1.678 1.00 7.32 N ATOM 1412 CA ALA A 93 10.791 -18.640 -3.064 1.00 7.11 C ATOM 1413 C ALA A 93 12.045 -18.652 -3.957 1.00 8.33 C ATOM 1414 O ALA A 93 13.126 -18.256 -3.508 1.00 8.83 O ATOM 1415 CB ALA A 93 9.710 -17.658 -3.540 1.00 6.22 C ATOM 0 H ALA A 93 11.307 -17.374 -1.470 1.00 7.32 H new ATOM 0 HA ALA A 93 10.359 -19.638 -3.137 1.00 7.11 H new ATOM 0 HB1 ALA A 93 9.450 -17.877 -4.576 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.824 -17.761 -2.914 1.00 6.22 H new ATOM 0 HB3 ALA A 93 10.088 -16.638 -3.468 1.00 6.22 H new ATOM 1421 N LYS A 94 11.891 -19.125 -5.220 1.00 8.92 N ATOM 1422 CA LYS A 94 12.996 -19.249 -6.216 1.00 10.13 C ATOM 1423 C LYS A 94 13.845 -20.513 -5.956 1.00 10.64 C ATOM 1424 O LYS A 94 15.002 -20.429 -5.523 1.00 11.32 O ATOM 1425 CB LYS A 94 13.901 -17.989 -6.271 1.00 10.90 C ATOM 1426 CG LYS A 94 13.284 -16.805 -7.006 1.00 11.36 C ATOM 1427 CD LYS A 94 12.354 -15.999 -6.108 1.00 11.16 C ATOM 1428 CE LYS A 94 11.093 -15.602 -6.849 1.00 10.61 C ATOM 1429 NZ LYS A 94 10.175 -14.798 -5.997 1.00 11.01 N ATOM 0 H LYS A 94 10.989 -19.435 -5.583 1.00 8.92 H new ATOM 0 HA LYS A 94 12.518 -19.342 -7.191 1.00 10.13 H new ATOM 0 HB2 LYS A 94 14.141 -17.684 -5.253 1.00 10.90 H new ATOM 0 HB3 LYS A 94 14.841 -18.252 -6.755 1.00 10.90 H new ATOM 0 HG2 LYS A 94 14.077 -16.158 -7.381 1.00 11.36 H new ATOM 0 HG3 LYS A 94 12.729 -17.165 -7.873 1.00 11.36 H new ATOM 0 HD2 LYS A 94 12.093 -16.587 -5.228 1.00 11.16 H new ATOM 0 HD3 LYS A 94 12.869 -15.106 -5.754 1.00 11.16 H new ATOM 0 HE2 LYS A 94 11.360 -15.028 -7.737 1.00 10.61 H new ATOM 0 HE3 LYS A 94 10.577 -16.499 -7.192 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 9.594 -14.181 -6.599 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 9.557 -15.435 -5.455 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 10.732 -14.215 -5.340 1.00 11.01 H new ATOM 1443 N ASP A 95 13.243 -21.686 -6.207 1.00 10.41 N ATOM 1444 CA ASP A 95 13.905 -22.975 -6.001 1.00 10.95 C ATOM 1445 C ASP A 95 14.340 -23.647 -7.317 1.00 11.36 C ATOM 1446 O ASP A 95 14.575 -24.862 -7.364 1.00 11.72 O ATOM 1447 CB ASP A 95 13.003 -23.901 -5.169 1.00 10.75 C ATOM 1448 CG ASP A 95 13.785 -24.944 -4.390 1.00 10.79 C ATOM 1449 OD1 ASP A 95 14.170 -24.658 -3.236 1.00 11.08 O ATOM 1450 OD2 ASP A 95 14.012 -26.045 -4.933 1.00 10.72 O ATOM 0 H ASP A 95 12.288 -21.763 -6.557 1.00 10.41 H new ATOM 0 HA ASP A 95 14.825 -22.783 -5.449 1.00 10.95 H new ATOM 0 HB2 ASP A 95 12.416 -23.300 -4.474 1.00 10.75 H new ATOM 0 HB3 ASP A 95 12.297 -24.403 -5.831 1.00 10.75 H new ATOM 1455 N GLY A 96 14.464 -22.841 -8.359 1.00 11.41 N ATOM 1456 CA GLY A 96 14.842 -23.342 -9.682 1.00 11.89 C ATOM 1457 C GLY A 96 14.108 -22.627 -10.775 1.00 11.67 C ATOM 1458 O GLY A 96 14.455 -21.508 -11.163 1.00 11.82 O ATOM 0 H GLY A 96 14.309 -21.834 -8.320 1.00 11.41 H new ATOM 0 HA2 GLY A 96 15.916 -23.220 -9.824 1.00 11.89 H new ATOM 0 HA3 GLY A 96 14.632 -24.410 -9.741 1.00 11.89 H new ATOM 1462 N ASN A 97 13.077 -23.310 -11.261 1.00 11.48 N ATOM 1463 CA ASN A 97 12.176 -22.815 -12.292 1.00 11.39 C ATOM 1464 C ASN A 97 11.399 -21.610 -11.771 1.00 11.24 C ATOM 1465 O ASN A 97 10.912 -20.765 -12.528 1.00 11.69 O ATOM 1466 CB ASN A 97 11.226 -23.943 -12.624 1.00 10.47 C ATOM 1467 CG ASN A 97 11.063 -24.160 -14.115 1.00 10.82 C ATOM 1468 OD1 ASN A 97 11.801 -24.932 -14.727 1.00 11.12 O ATOM 1469 ND2 ASN A 97 10.091 -23.477 -14.710 1.00 10.95 N ATOM 0 H ASN A 97 12.840 -24.248 -10.939 1.00 11.48 H new ATOM 0 HA ASN A 97 12.729 -22.499 -13.177 1.00 11.39 H new ATOM 0 HB2 ASN A 97 11.589 -24.863 -12.166 1.00 10.47 H new ATOM 0 HB3 ASN A 97 10.251 -23.731 -12.184 1.00 10.47 H new ATOM 0 HD21 ASN A 97 9.934 -23.582 -15.712 1.00 10.95 H new ATOM 0 HD22 ASN A 97 9.502 -22.848 -14.165 1.00 10.95 H new ATOM 1476 N GLY A 98 11.316 -21.587 -10.449 1.00 10.71 N ATOM 1477 CA GLY A 98 10.659 -20.539 -9.706 1.00 10.57 C ATOM 1478 C GLY A 98 9.364 -20.986 -9.062 1.00 9.35 C ATOM 1479 O GLY A 98 8.898 -20.331 -8.130 1.00 9.23 O ATOM 0 H GLY A 98 11.714 -22.315 -9.857 1.00 10.71 H new ATOM 0 HA2 GLY A 98 11.334 -20.173 -8.933 1.00 10.57 H new ATOM 0 HA3 GLY A 98 10.455 -19.702 -10.374 1.00 10.57 H new ATOM 1483 N TYR A 99 8.815 -22.137 -9.484 1.00 8.53 N ATOM 1484 CA TYR A 99 7.572 -22.631 -8.906 1.00 7.35 C ATOM 1485 C TYR A 99 7.842 -23.251 -7.532 1.00 6.60 C ATOM 1486 O TYR A 99 8.287 -24.402 -7.434 1.00 6.68 O ATOM 1487 CB TYR A 99 6.887 -23.681 -9.792 1.00 7.03 C ATOM 1488 CG TYR A 99 5.984 -23.123 -10.863 1.00 7.42 C ATOM 1489 CD1 TYR A 99 6.496 -22.810 -12.116 1.00 7.29 C ATOM 1490 CD2 TYR A 99 4.616 -22.928 -10.634 1.00 8.16 C ATOM 1491 CE1 TYR A 99 5.680 -22.319 -13.115 1.00 7.85 C ATOM 1492 CE2 TYR A 99 3.800 -22.434 -11.633 1.00 8.71 C ATOM 1493 CZ TYR A 99 4.335 -22.133 -12.870 1.00 8.53 C ATOM 1494 OH TYR A 99 3.520 -21.644 -13.865 1.00 9.21 O ATOM 0 H TYR A 99 9.212 -22.730 -10.213 1.00 8.53 H new ATOM 0 HA TYR A 99 6.905 -21.773 -8.818 1.00 7.35 H new ATOM 0 HB2 TYR A 99 7.656 -24.290 -10.268 1.00 7.03 H new ATOM 0 HB3 TYR A 99 6.303 -24.345 -9.156 1.00 7.03 H new ATOM 0 HD1 TYR A 99 7.549 -22.953 -12.311 1.00 7.29 H new ATOM 0 HD2 TYR A 99 4.196 -23.166 -9.668 1.00 8.16 H new ATOM 0 HE1 TYR A 99 6.093 -22.081 -14.084 1.00 7.85 H new ATOM 0 HE2 TYR A 99 2.747 -22.284 -11.447 1.00 8.71 H new ATOM 0 HH TYR A 99 3.174 -20.766 -13.602 1.00 9.21 H new ATOM 1504 N ILE A 100 7.607 -22.477 -6.480 1.00 6.19 N ATOM 1505 CA ILE A 100 7.818 -22.959 -5.114 1.00 5.73 C ATOM 1506 C ILE A 100 6.512 -23.472 -4.529 1.00 4.64 C ATOM 1507 O ILE A 100 5.441 -22.933 -4.830 1.00 4.17 O ATOM 1508 CB ILE A 100 8.446 -21.880 -4.184 1.00 5.84 C ATOM 1509 CG1 ILE A 100 7.705 -20.531 -4.278 1.00 5.96 C ATOM 1510 CG2 ILE A 100 9.924 -21.697 -4.520 1.00 5.70 C ATOM 1511 CD1 ILE A 100 6.661 -20.334 -3.199 1.00 6.65 C ATOM 0 H ILE A 100 7.271 -21.516 -6.542 1.00 6.19 H new ATOM 0 HA ILE A 100 8.535 -23.778 -5.173 1.00 5.73 H new ATOM 0 HB ILE A 100 8.348 -22.233 -3.157 1.00 5.84 H new ATOM 0 HG12 ILE A 100 8.433 -19.722 -4.219 1.00 5.96 H new ATOM 0 HG13 ILE A 100 7.225 -20.457 -5.254 1.00 5.96 H new ATOM 0 HG21 ILE A 100 10.355 -20.940 -3.865 1.00 5.70 H new ATOM 0 HG22 ILE A 100 10.449 -22.642 -4.378 1.00 5.70 H new ATOM 0 HG23 ILE A 100 10.025 -21.378 -5.557 1.00 5.70 H new ATOM 0 HD11 ILE A 100 6.182 -19.364 -3.329 1.00 6.65 H new ATOM 0 HD12 ILE A 100 5.911 -21.122 -3.270 1.00 6.65 H new ATOM 0 HD13 ILE A 100 7.138 -20.375 -2.220 1.00 6.65 H new ATOM 1523 N SER A 101 6.602 -24.511 -3.692 1.00 4.56 N ATOM 1524 CA SER A 101 5.418 -25.107 -3.089 1.00 3.87 C ATOM 1525 C SER A 101 4.705 -24.147 -2.161 1.00 3.18 C ATOM 1526 O SER A 101 5.329 -23.412 -1.390 1.00 3.33 O ATOM 1527 CB SER A 101 5.741 -26.407 -2.358 1.00 4.59 C ATOM 1528 OG SER A 101 6.638 -27.213 -3.104 1.00 5.48 O ATOM 0 H SER A 101 7.481 -24.951 -3.421 1.00 4.56 H new ATOM 0 HA SER A 101 4.745 -25.340 -3.914 1.00 3.87 H new ATOM 0 HB2 SER A 101 6.177 -26.180 -1.385 1.00 4.59 H new ATOM 0 HB3 SER A 101 4.820 -26.960 -2.173 1.00 4.59 H new ATOM 0 HG SER A 101 6.827 -28.037 -2.609 1.00 5.48 H new ATOM 1534 N ALA A 102 3.380 -24.180 -2.268 1.00 2.74 N ATOM 1535 CA ALA A 102 2.475 -23.327 -1.472 1.00 2.63 C ATOM 1536 C ALA A 102 2.727 -23.389 0.044 1.00 3.39 C ATOM 1537 O ALA A 102 2.422 -22.434 0.758 1.00 3.61 O ATOM 1538 CB ALA A 102 1.037 -23.711 -1.760 1.00 3.06 C ATOM 0 H ALA A 102 2.891 -24.801 -2.912 1.00 2.74 H new ATOM 0 HA ALA A 102 2.678 -22.300 -1.775 1.00 2.63 H new ATOM 0 HB1 ALA A 102 0.368 -23.082 -1.173 1.00 3.06 H new ATOM 0 HB2 ALA A 102 0.829 -23.571 -2.821 1.00 3.06 H new ATOM 0 HB3 ALA A 102 0.879 -24.756 -1.494 1.00 3.06 H new ATOM 1544 N ALA A 103 3.303 -24.507 0.514 1.00 4.09 N ATOM 1545 CA ALA A 103 3.588 -24.730 1.944 1.00 5.20 C ATOM 1546 C ALA A 103 4.555 -23.702 2.557 1.00 5.47 C ATOM 1547 O ALA A 103 4.592 -23.548 3.781 1.00 6.33 O ATOM 1548 CB ALA A 103 4.133 -26.136 2.145 1.00 5.96 C ATOM 0 H ALA A 103 3.585 -25.283 -0.085 1.00 4.09 H new ATOM 0 HA ALA A 103 2.641 -24.605 2.468 1.00 5.20 H new ATOM 0 HB1 ALA A 103 4.342 -26.297 3.202 1.00 5.96 H new ATOM 0 HB2 ALA A 103 3.396 -26.864 1.806 1.00 5.96 H new ATOM 0 HB3 ALA A 103 5.052 -26.256 1.571 1.00 5.96 H new ATOM 1554 N GLU A 104 5.331 -23.006 1.710 1.00 4.91 N ATOM 1555 CA GLU A 104 6.305 -22.006 2.186 1.00 5.33 C ATOM 1556 C GLU A 104 5.650 -20.647 2.469 1.00 4.76 C ATOM 1557 O GLU A 104 5.954 -20.020 3.484 1.00 5.38 O ATOM 1558 CB GLU A 104 7.448 -21.835 1.180 1.00 5.44 C ATOM 1559 CG GLU A 104 8.348 -23.057 1.052 1.00 6.31 C ATOM 1560 CD GLU A 104 9.510 -22.830 0.105 1.00 6.92 C ATOM 1561 OE1 GLU A 104 9.307 -22.941 -1.122 1.00 7.26 O ATOM 1562 OE2 GLU A 104 10.624 -22.542 0.591 1.00 7.37 O ATOM 0 H GLU A 104 5.304 -23.116 0.696 1.00 4.91 H new ATOM 0 HA GLU A 104 6.708 -22.383 3.126 1.00 5.33 H new ATOM 0 HB2 GLU A 104 7.026 -21.603 0.202 1.00 5.44 H new ATOM 0 HB3 GLU A 104 8.054 -20.979 1.477 1.00 5.44 H new ATOM 0 HG2 GLU A 104 8.733 -23.324 2.036 1.00 6.31 H new ATOM 0 HG3 GLU A 104 7.758 -23.903 0.700 1.00 6.31 H new ATOM 1569 N LEU A 105 4.776 -20.192 1.550 1.00 3.64 N ATOM 1570 CA LEU A 105 4.040 -18.915 1.669 1.00 3.09 C ATOM 1571 C LEU A 105 3.442 -18.659 3.029 1.00 4.03 C ATOM 1572 O LEU A 105 3.507 -17.539 3.538 1.00 4.13 O ATOM 1573 CB LEU A 105 2.883 -18.879 0.674 1.00 2.35 C ATOM 1574 CG LEU A 105 3.213 -19.298 -0.767 1.00 1.65 C ATOM 1575 CD1 LEU A 105 1.953 -19.684 -1.518 1.00 2.00 C ATOM 1576 CD2 LEU A 105 3.954 -18.182 -1.484 1.00 1.38 C ATOM 0 H LEU A 105 4.558 -20.705 0.695 1.00 3.64 H new ATOM 0 HA LEU A 105 4.791 -18.149 1.475 1.00 3.09 H new ATOM 0 HB2 LEU A 105 2.091 -19.528 1.046 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.481 -17.866 0.653 1.00 2.35 H new ATOM 0 HG LEU A 105 3.862 -20.173 -0.733 1.00 1.65 H new ATOM 0 HD11 LEU A 105 2.211 -19.977 -2.536 1.00 2.00 H new ATOM 0 HD12 LEU A 105 1.469 -20.519 -1.012 1.00 2.00 H new ATOM 0 HD13 LEU A 105 1.272 -18.834 -1.547 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.181 -18.493 -2.504 1.00 1.38 H new ATOM 0 HD22 LEU A 105 3.331 -17.288 -1.507 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.882 -17.964 -0.956 1.00 1.38 H new ATOM 1588 N ARG A 106 2.845 -19.692 3.601 1.00 4.83 N ATOM 1589 CA ARG A 106 2.208 -19.567 4.904 1.00 5.95 C ATOM 1590 C ARG A 106 3.238 -19.247 5.964 1.00 6.65 C ATOM 1591 O ARG A 106 2.922 -18.703 7.011 1.00 7.39 O ATOM 1592 CB ARG A 106 1.437 -20.830 5.304 1.00 6.81 C ATOM 1593 CG ARG A 106 0.395 -21.302 4.291 1.00 6.46 C ATOM 1594 CD ARG A 106 0.984 -22.305 3.329 1.00 5.99 C ATOM 1595 NE ARG A 106 -0.042 -22.944 2.496 1.00 6.40 N ATOM 1596 CZ ARG A 106 -0.215 -24.269 2.375 1.00 6.89 C ATOM 1597 NH1 ARG A 106 0.563 -25.131 3.029 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -1.178 -24.734 1.591 1.00 7.37 N ATOM 0 H ARG A 106 2.788 -20.622 3.187 1.00 4.83 H new ATOM 0 HA ARG A 106 1.489 -18.752 4.826 1.00 5.95 H new ATOM 0 HB2 ARG A 106 2.152 -21.636 5.469 1.00 6.81 H new ATOM 0 HB3 ARG A 106 0.939 -20.646 6.256 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -0.449 -21.750 4.815 1.00 6.46 H new ATOM 0 HG3 ARG A 106 0.009 -20.446 3.737 1.00 6.46 H new ATOM 0 HD2 ARG A 106 1.711 -21.807 2.688 1.00 5.99 H new ATOM 0 HD3 ARG A 106 1.523 -23.069 3.889 1.00 5.99 H new ATOM 0 HE ARG A 106 -0.670 -22.336 1.970 1.00 6.40 H new ATOM 0 HH11 ARG A 106 1.307 -24.787 3.636 1.00 7.08 H new ATOM 0 HH12 ARG A 106 0.414 -26.134 2.923 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -1.781 -24.086 1.085 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -1.316 -25.740 1.494 1.00 7.37 H new ATOM 1612 N HIS A 107 4.460 -19.649 5.677 1.00 6.60 N ATOM 1613 CA HIS A 107 5.595 -19.363 6.517 1.00 7.43 C ATOM 1614 C HIS A 107 6.200 -18.012 6.119 1.00 6.90 C ATOM 1615 O HIS A 107 6.938 -17.417 6.901 1.00 7.61 O ATOM 1616 CB HIS A 107 6.650 -20.470 6.414 1.00 8.00 C ATOM 1617 CG HIS A 107 6.229 -21.766 7.039 1.00 8.87 C ATOM 1618 ND1 HIS A 107 6.652 -22.173 8.287 1.00 9.79 N ATOM 1619 CD2 HIS A 107 5.419 -22.750 6.579 1.00 9.07 C ATOM 1620 CE1 HIS A 107 6.122 -23.350 8.568 1.00 10.41 C ATOM 1621 NE2 HIS A 107 5.370 -23.721 7.548 1.00 10.03 N ATOM 0 H HIS A 107 4.690 -20.189 4.843 1.00 6.60 H new ATOM 0 HA HIS A 107 5.259 -19.318 7.553 1.00 7.43 H new ATOM 0 HB2 HIS A 107 6.881 -20.642 5.363 1.00 8.00 H new ATOM 0 HB3 HIS A 107 7.569 -20.129 6.891 1.00 8.00 H new ATOM 0 HD2 HIS A 107 4.908 -22.767 5.628 1.00 9.07 H new ATOM 0 HE1 HIS A 107 6.277 -23.913 9.477 1.00 10.41 H new ATOM 0 HE2 HIS A 107 4.838 -24.589 7.490 1.00 10.03 H new ATOM 1630 N VAL A 108 5.884 -17.540 4.883 1.00 5.69 N ATOM 1631 CA VAL A 108 6.393 -16.264 4.380 1.00 5.20 C ATOM 1632 C VAL A 108 5.531 -15.086 4.799 1.00 4.84 C ATOM 1633 O VAL A 108 6.002 -14.190 5.503 1.00 5.36 O ATOM 1634 CB VAL A 108 6.515 -16.276 2.824 1.00 4.27 C ATOM 1635 CG1 VAL A 108 7.162 -15.003 2.308 1.00 4.16 C ATOM 1636 CG2 VAL A 108 7.245 -17.506 2.313 1.00 4.80 C ATOM 0 H VAL A 108 5.278 -18.034 4.228 1.00 5.69 H new ATOM 0 HA VAL A 108 7.380 -16.141 4.825 1.00 5.20 H new ATOM 0 HB VAL A 108 5.499 -16.320 2.431 1.00 4.27 H new ATOM 0 HG11 VAL A 108 7.231 -15.045 1.221 1.00 4.16 H new ATOM 0 HG12 VAL A 108 6.558 -14.144 2.600 1.00 4.16 H new ATOM 0 HG13 VAL A 108 8.161 -14.905 2.732 1.00 4.16 H new ATOM 0 HG21 VAL A 108 7.304 -17.468 1.225 1.00 4.80 H new ATOM 0 HG22 VAL A 108 8.252 -17.531 2.731 1.00 4.80 H new ATOM 0 HG23 VAL A 108 6.704 -18.402 2.616 1.00 4.80 H new ATOM 1646 N MET A 109 4.294 -15.071 4.315 1.00 4.11 N ATOM 1647 CA MET A 109 3.330 -14.026 4.669 1.00 4.08 C ATOM 1648 C MET A 109 3.192 -13.934 6.182 1.00 5.33 C ATOM 1649 O MET A 109 3.035 -12.839 6.730 1.00 5.53 O ATOM 1650 CB MET A 109 1.995 -14.269 3.988 1.00 3.81 C ATOM 1651 CG MET A 109 1.996 -13.768 2.546 1.00 2.70 C ATOM 1652 SD MET A 109 0.364 -13.765 1.788 1.00 3.27 S ATOM 1653 CE MET A 109 0.145 -15.510 1.486 1.00 3.46 C ATOM 0 H MET A 109 3.930 -15.774 3.672 1.00 4.11 H new ATOM 0 HA MET A 109 3.699 -13.065 4.310 1.00 4.08 H new ATOM 0 HB2 MET A 109 1.768 -15.335 4.002 1.00 3.81 H new ATOM 0 HB3 MET A 109 1.205 -13.767 4.547 1.00 3.81 H new ATOM 0 HG2 MET A 109 2.402 -12.757 2.521 1.00 2.70 H new ATOM 0 HG3 MET A 109 2.663 -14.394 1.953 1.00 2.70 H new ATOM 0 HE1 MET A 109 0.295 -15.717 0.426 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.870 -16.075 2.072 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.864 -15.805 1.775 1.00 3.46 H new ATOM 1663 N THR A 110 3.250 -15.100 6.853 1.00 6.20 N ATOM 1664 CA THR A 110 3.258 -15.131 8.317 1.00 7.45 C ATOM 1665 C THR A 110 4.593 -14.554 8.834 1.00 7.80 C ATOM 1666 O THR A 110 4.628 -13.955 9.911 1.00 8.54 O ATOM 1667 CB THR A 110 3.059 -16.560 8.855 1.00 8.32 C ATOM 1668 OG1 THR A 110 1.829 -17.088 8.347 1.00 8.16 O ATOM 1669 CG2 THR A 110 3.019 -16.613 10.384 1.00 9.65 C ATOM 0 H THR A 110 3.291 -16.017 6.408 1.00 6.20 H new ATOM 0 HA THR A 110 2.427 -14.524 8.676 1.00 7.45 H new ATOM 0 HB THR A 110 3.912 -17.152 8.522 1.00 8.32 H new ATOM 0 HG1 THR A 110 1.967 -18.013 8.053 1.00 8.16 H new ATOM 0 HG21 THR A 110 2.877 -17.644 10.709 1.00 9.65 H new ATOM 0 HG22 THR A 110 3.958 -16.232 10.786 1.00 9.65 H new ATOM 0 HG23 THR A 110 2.194 -16.001 10.748 1.00 9.65 H new ATOM 1677 N ASN A 111 5.694 -14.746 8.058 1.00 7.42 N ATOM 1678 CA ASN A 111 7.011 -14.196 8.436 1.00 8.00 C ATOM 1679 C ASN A 111 7.065 -12.663 8.243 1.00 7.57 C ATOM 1680 O ASN A 111 8.057 -12.023 8.610 1.00 8.26 O ATOM 1681 CB ASN A 111 8.123 -14.862 7.615 1.00 7.98 C ATOM 1682 CG ASN A 111 9.462 -14.866 8.333 1.00 9.16 C ATOM 1683 OD1 ASN A 111 9.783 -15.800 9.067 1.00 9.84 O ATOM 1684 ND2 ASN A 111 10.249 -13.817 8.123 1.00 9.58 N ATOM 0 H ASN A 111 5.690 -15.269 7.183 1.00 7.42 H new ATOM 0 HA ASN A 111 7.164 -14.410 9.494 1.00 8.00 H new ATOM 0 HB2 ASN A 111 7.835 -15.888 7.387 1.00 7.98 H new ATOM 0 HB3 ASN A 111 8.228 -14.341 6.663 1.00 7.98 H new ATOM 0 HD21 ASN A 111 11.160 -13.764 8.579 1.00 9.58 H new ATOM 0 HD22 ASN A 111 9.942 -13.065 7.506 1.00 9.58 H new ATOM 1691 N LEU A 112 5.989 -12.088 7.674 1.00 6.48 N ATOM 1692 CA LEU A 112 5.888 -10.663 7.432 1.00 6.02 C ATOM 1693 C LEU A 112 5.255 -9.956 8.644 1.00 6.50 C ATOM 1694 O LEU A 112 5.780 -8.944 9.119 1.00 6.87 O ATOM 1695 CB LEU A 112 5.101 -10.430 6.115 1.00 4.81 C ATOM 1696 CG LEU A 112 4.501 -9.034 5.897 1.00 4.44 C ATOM 1697 CD1 LEU A 112 4.371 -8.728 4.417 1.00 4.55 C ATOM 1698 CD2 LEU A 112 3.149 -8.966 6.569 1.00 4.77 C ATOM 0 H LEU A 112 5.169 -12.614 7.373 1.00 6.48 H new ATOM 0 HA LEU A 112 6.879 -10.226 7.309 1.00 6.02 H new ATOM 0 HB2 LEU A 112 5.767 -10.646 5.280 1.00 4.81 H new ATOM 0 HB3 LEU A 112 4.290 -11.157 6.072 1.00 4.81 H new ATOM 0 HG LEU A 112 5.164 -8.288 6.335 1.00 4.44 H new ATOM 0 HD11 LEU A 112 3.944 -7.734 4.287 1.00 4.55 H new ATOM 0 HD12 LEU A 112 5.355 -8.764 3.950 1.00 4.55 H new ATOM 0 HD13 LEU A 112 3.720 -9.467 3.949 1.00 4.55 H new ATOM 0 HD21 LEU A 112 2.717 -7.977 6.418 1.00 4.77 H new ATOM 0 HD22 LEU A 112 2.490 -9.719 6.138 1.00 4.77 H new ATOM 0 HD23 LEU A 112 3.264 -9.153 7.637 1.00 4.77 H new ATOM 1710 N GLY A 113 4.131 -10.503 9.129 1.00 6.67 N ATOM 1711 CA GLY A 113 3.433 -9.923 10.268 1.00 7.40 C ATOM 1712 C GLY A 113 3.259 -10.898 11.412 1.00 8.34 C ATOM 1713 O GLY A 113 3.857 -11.977 11.419 1.00 8.64 O ATOM 0 H GLY A 113 3.694 -11.342 8.748 1.00 6.67 H new ATOM 0 HA2 GLY A 113 3.985 -9.052 10.621 1.00 7.40 H new ATOM 0 HA3 GLY A 113 2.453 -9.570 9.946 1.00 7.40 H new ATOM 1717 N GLU A 114 2.436 -10.502 12.381 1.00 8.94 N ATOM 1718 CA GLU A 114 2.153 -11.326 13.558 1.00 10.00 C ATOM 1719 C GLU A 114 0.710 -11.811 13.559 1.00 10.47 C ATOM 1720 O GLU A 114 0.402 -12.875 14.104 1.00 11.33 O ATOM 1721 CB GLU A 114 2.411 -10.527 14.836 1.00 10.43 C ATOM 1722 CG GLU A 114 3.852 -10.064 15.000 1.00 10.39 C ATOM 1723 CD GLU A 114 4.064 -9.251 16.262 1.00 11.02 C ATOM 1724 OE1 GLU A 114 4.376 -9.854 17.311 1.00 11.20 O ATOM 1725 OE2 GLU A 114 3.920 -8.012 16.202 1.00 11.47 O ATOM 0 H GLU A 114 1.948 -9.606 12.374 1.00 8.94 H new ATOM 0 HA GLU A 114 2.815 -12.192 13.521 1.00 10.00 H new ATOM 0 HB2 GLU A 114 1.757 -9.655 14.844 1.00 10.43 H new ATOM 0 HB3 GLU A 114 2.137 -11.139 15.696 1.00 10.43 H new ATOM 0 HG2 GLU A 114 4.509 -10.933 15.018 1.00 10.39 H new ATOM 0 HG3 GLU A 114 4.138 -9.466 14.135 1.00 10.39 H new ATOM 1732 N LYS A 115 -0.161 -11.015 12.941 1.00 10.04 N ATOM 1733 CA LYS A 115 -1.597 -11.317 12.863 1.00 10.61 C ATOM 1734 C LYS A 115 -1.941 -12.229 11.698 1.00 10.14 C ATOM 1735 O LYS A 115 -2.814 -13.097 11.803 1.00 10.70 O ATOM 1736 CB LYS A 115 -2.421 -10.027 12.749 1.00 11.03 C ATOM 1737 CG LYS A 115 -1.943 -9.109 11.620 1.00 10.36 C ATOM 1738 CD LYS A 115 -1.464 -7.754 12.141 1.00 10.71 C ATOM 1739 CE LYS A 115 -0.142 -7.866 12.898 1.00 10.61 C ATOM 1740 NZ LYS A 115 1.022 -7.985 11.976 1.00 10.83 N ATOM 0 H LYS A 115 0.103 -10.144 12.480 1.00 10.04 H new ATOM 0 HA LYS A 115 -1.848 -11.839 13.786 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -3.467 -10.284 12.582 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -2.372 -9.487 13.694 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -1.132 -9.595 11.078 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -2.755 -8.957 10.909 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -1.345 -7.065 11.304 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -2.223 -7.329 12.798 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -0.013 -6.990 13.533 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -0.174 -8.735 13.556 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 1.901 -8.024 12.530 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 0.930 -8.853 11.411 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 1.049 -7.161 11.343 1.00 10.83 H new ATOM 1754 N LEU A 116 -1.237 -12.012 10.596 1.00 9.19 N ATOM 1755 CA LEU A 116 -1.450 -12.754 9.363 1.00 8.69 C ATOM 1756 C LEU A 116 -1.182 -14.253 9.530 1.00 9.07 C ATOM 1757 O LEU A 116 -0.075 -14.661 9.900 1.00 9.05 O ATOM 1758 CB LEU A 116 -0.556 -12.198 8.266 1.00 7.40 C ATOM 1759 CG LEU A 116 -1.147 -11.064 7.410 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -1.122 -9.731 8.152 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -0.389 -10.949 6.096 1.00 6.43 C ATOM 0 H LEU A 116 -0.498 -11.312 10.533 1.00 9.19 H new ATOM 0 HA LEU A 116 -2.499 -12.635 9.092 1.00 8.69 H new ATOM 0 HB2 LEU A 116 0.363 -11.835 8.726 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -0.279 -13.018 7.603 1.00 7.40 H new ATOM 0 HG LEU A 116 -2.188 -11.310 7.203 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -1.547 -8.953 7.517 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -1.708 -9.813 9.067 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -0.093 -9.473 8.402 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -0.816 -10.143 5.499 1.00 6.43 H new ATOM 0 HD22 LEU A 116 0.660 -10.733 6.299 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -0.467 -11.888 5.548 1.00 6.43 H new ATOM 1773 N THR A 117 -2.210 -15.053 9.263 1.00 9.56 N ATOM 1774 CA THR A 117 -2.126 -16.493 9.372 1.00 10.01 C ATOM 1775 C THR A 117 -2.194 -17.203 8.048 1.00 9.24 C ATOM 1776 O THR A 117 -2.201 -16.603 6.974 1.00 8.29 O ATOM 1777 CB THR A 117 -3.243 -17.086 10.244 1.00 11.26 C ATOM 1778 OG1 THR A 117 -4.501 -16.463 9.949 1.00 11.46 O ATOM 1779 CG2 THR A 117 -2.896 -16.901 11.686 1.00 12.18 C ATOM 0 H THR A 117 -3.124 -14.713 8.965 1.00 9.56 H new ATOM 0 HA THR A 117 -1.149 -16.654 9.828 1.00 10.01 H new ATOM 0 HB THR A 117 -3.336 -18.150 10.028 1.00 11.26 H new ATOM 0 HG1 THR A 117 -5.200 -16.855 10.513 1.00 11.46 H new ATOM 0 HG21 THR A 117 -3.687 -17.321 12.307 1.00 12.18 H new ATOM 0 HG22 THR A 117 -1.956 -17.409 11.902 1.00 12.18 H new ATOM 0 HG23 THR A 117 -2.791 -15.838 11.902 1.00 12.18 H new ATOM 1787 N ASP A 118 -2.219 -18.519 8.185 1.00 9.74 N ATOM 1788 CA ASP A 118 -2.336 -19.463 7.089 1.00 9.28 C ATOM 1789 C ASP A 118 -3.644 -19.297 6.342 1.00 9.42 C ATOM 1790 O ASP A 118 -3.731 -19.600 5.151 1.00 8.80 O ATOM 1791 CB ASP A 118 -2.258 -20.849 7.688 1.00 10.08 C ATOM 1792 CG ASP A 118 -0.836 -21.359 7.816 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -0.064 -20.775 8.606 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -0.496 -22.347 7.131 1.00 9.76 O ATOM 0 H ASP A 118 -2.156 -18.974 9.096 1.00 9.74 H new ATOM 0 HA ASP A 118 -1.536 -19.292 6.369 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -2.725 -20.840 8.673 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -2.832 -21.539 7.069 1.00 10.08 H new ATOM 1799 N GLU A 119 -4.653 -18.812 7.061 1.00 10.37 N ATOM 1800 CA GLU A 119 -5.965 -18.552 6.481 1.00 10.83 C ATOM 1801 C GLU A 119 -5.874 -17.413 5.480 1.00 10.04 C ATOM 1802 O GLU A 119 -6.736 -17.268 4.611 1.00 10.27 O ATOM 1803 CB GLU A 119 -7.016 -18.257 7.560 1.00 12.10 C ATOM 1804 CG GLU A 119 -7.418 -19.471 8.392 1.00 13.08 C ATOM 1805 CD GLU A 119 -8.417 -20.372 7.685 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -9.635 -20.149 7.846 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -7.979 -21.299 6.971 1.00 14.78 O ATOM 0 H GLU A 119 -4.584 -18.590 8.054 1.00 10.37 H new ATOM 0 HA GLU A 119 -6.289 -19.453 5.960 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -6.629 -17.486 8.227 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -7.906 -17.848 7.082 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -6.526 -20.048 8.636 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -7.847 -19.132 9.335 1.00 13.08 H new ATOM 1814 N GLU A 120 -4.812 -16.604 5.623 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.520 -15.533 4.678 1.00 8.40 C ATOM 1816 C GLU A 120 -4.106 -16.209 3.383 1.00 7.57 C ATOM 1817 O GLU A 120 -4.498 -15.796 2.301 1.00 7.44 O ATOM 1818 CB GLU A 120 -3.376 -14.619 5.167 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.313 -13.246 4.495 1.00 7.14 C ATOM 1820 CD GLU A 120 -4.477 -12.336 4.856 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -5.499 -12.367 4.139 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -4.364 -11.596 5.855 1.00 8.58 O ATOM 0 H GLU A 120 -4.143 -16.678 6.390 1.00 9.24 H new ATOM 0 HA GLU A 120 -5.398 -14.899 4.557 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -3.480 -14.476 6.243 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -2.427 -15.131 5.004 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -2.380 -12.757 4.775 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -3.290 -13.381 3.414 1.00 7.14 H new ATOM 1829 N VAL A 121 -3.344 -17.306 3.524 1.00 7.19 N ATOM 1830 CA VAL A 121 -2.880 -18.057 2.399 1.00 6.42 C ATOM 1831 C VAL A 121 -4.004 -18.886 1.779 1.00 7.15 C ATOM 1832 O VAL A 121 -4.248 -18.788 0.580 1.00 6.95 O ATOM 1833 CB VAL A 121 -1.696 -18.941 2.833 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -1.072 -19.599 1.638 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -0.652 -18.119 3.585 1.00 5.72 C ATOM 0 H VAL A 121 -3.046 -17.677 4.426 1.00 7.19 H new ATOM 0 HA VAL A 121 -2.540 -17.367 1.626 1.00 6.42 H new ATOM 0 HB VAL A 121 -2.075 -19.712 3.504 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -0.237 -20.221 1.960 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -1.814 -20.220 1.136 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.712 -18.835 0.949 1.00 5.00 H new ATOM 0 HG21 VAL A 121 0.175 -18.765 3.882 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -0.279 -17.325 2.938 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -1.106 -17.679 4.473 1.00 5.72 H new ATOM 1845 N ASP A 122 -4.712 -19.647 2.618 1.00 8.17 N ATOM 1846 CA ASP A 122 -5.832 -20.506 2.165 1.00 9.00 C ATOM 1847 C ASP A 122 -6.923 -19.683 1.480 1.00 9.58 C ATOM 1848 O ASP A 122 -7.677 -20.204 0.658 1.00 10.07 O ATOM 1849 CB ASP A 122 -6.429 -21.297 3.332 1.00 10.08 C ATOM 1850 CG ASP A 122 -5.468 -22.329 3.896 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -4.774 -22.015 4.885 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -5.411 -23.449 3.348 1.00 9.98 O ATOM 0 H ASP A 122 -4.535 -19.692 3.622 1.00 8.17 H new ATOM 0 HA ASP A 122 -5.424 -21.210 1.439 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -6.718 -20.606 4.123 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -7.338 -21.798 2.998 1.00 10.08 H new ATOM 1857 N GLU A 123 -6.977 -18.392 1.832 1.00 9.61 N ATOM 1858 CA GLU A 123 -7.937 -17.442 1.258 1.00 10.24 C ATOM 1859 C GLU A 123 -7.547 -17.105 -0.190 1.00 9.65 C ATOM 1860 O GLU A 123 -8.411 -17.008 -1.066 1.00 10.36 O ATOM 1861 CB GLU A 123 -7.992 -16.162 2.104 1.00 10.45 C ATOM 1862 CG GLU A 123 -9.340 -15.453 2.069 1.00 11.70 C ATOM 1863 CD GLU A 123 -9.359 -14.197 2.918 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -9.701 -14.295 4.116 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -9.033 -13.115 2.386 1.00 12.16 O ATOM 0 H GLU A 123 -6.354 -17.976 2.525 1.00 9.61 H new ATOM 0 HA GLU A 123 -8.925 -17.902 1.258 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -7.751 -16.411 3.137 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -7.222 -15.474 1.754 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -9.584 -15.195 1.039 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -10.115 -16.135 2.419 1.00 11.70 H new ATOM 1872 N MET A 124 -6.232 -16.927 -0.421 1.00 8.45 N ATOM 1873 CA MET A 124 -5.700 -16.629 -1.753 1.00 7.91 C ATOM 1874 C MET A 124 -5.444 -17.887 -2.554 1.00 7.70 C ATOM 1875 O MET A 124 -5.332 -17.832 -3.783 1.00 7.76 O ATOM 1876 CB MET A 124 -4.417 -15.802 -1.655 1.00 6.78 C ATOM 1877 CG MET A 124 -4.649 -14.301 -1.753 1.00 6.98 C ATOM 1878 SD MET A 124 -3.743 -13.363 -0.507 1.00 6.62 S ATOM 1879 CE MET A 124 -4.765 -13.642 0.934 1.00 7.40 C ATOM 0 H MET A 124 -5.520 -16.986 0.307 1.00 8.45 H new ATOM 0 HA MET A 124 -6.459 -16.047 -2.276 1.00 7.91 H new ATOM 0 HB2 MET A 124 -3.924 -16.024 -0.709 1.00 6.78 H new ATOM 0 HB3 MET A 124 -3.736 -16.108 -2.449 1.00 6.78 H new ATOM 0 HG2 MET A 124 -4.353 -13.957 -2.744 1.00 6.98 H new ATOM 0 HG3 MET A 124 -5.715 -14.096 -1.650 1.00 6.98 H new ATOM 0 HE1 MET A 124 -4.133 -13.901 1.784 1.00 7.40 H new ATOM 0 HE2 MET A 124 -5.327 -12.736 1.162 1.00 7.40 H new ATOM 0 HE3 MET A 124 -5.459 -14.459 0.735 1.00 7.40 H new ATOM 1889 N ILE A 125 -5.352 -19.016 -1.858 1.00 7.60 N ATOM 1890 CA ILE A 125 -5.123 -20.293 -2.499 1.00 7.41 C ATOM 1891 C ILE A 125 -6.297 -20.706 -3.382 1.00 8.49 C ATOM 1892 O ILE A 125 -6.100 -21.150 -4.511 1.00 8.45 O ATOM 1893 CB ILE A 125 -4.806 -21.391 -1.487 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -3.466 -21.109 -0.816 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -4.762 -22.692 -2.219 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -3.218 -21.913 0.419 1.00 6.48 C ATOM 0 H ILE A 125 -5.434 -19.065 -0.843 1.00 7.60 H new ATOM 0 HA ILE A 125 -4.250 -20.163 -3.138 1.00 7.41 H new ATOM 0 HB ILE A 125 -5.569 -21.427 -0.710 1.00 7.24 H new ATOM 0 HG12 ILE A 125 -2.666 -21.305 -1.530 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -3.415 -20.050 -0.563 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -4.537 -23.496 -1.519 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -5.728 -22.879 -2.687 1.00 7.27 H new ATOM 0 HG23 ILE A 125 -3.989 -22.652 -2.986 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -2.244 -21.652 0.834 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -3.994 -21.700 1.154 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -3.234 -22.974 0.172 1.00 6.48 H new ATOM 1908 N ARG A 126 -7.496 -20.602 -2.820 1.00 9.53 N ATOM 1909 CA ARG A 126 -8.763 -20.901 -3.528 1.00 10.70 C ATOM 1910 C ARG A 126 -8.749 -20.333 -4.950 1.00 10.89 C ATOM 1911 O ARG A 126 -9.224 -20.981 -5.887 1.00 11.45 O ATOM 1912 CB ARG A 126 -9.970 -20.305 -2.792 1.00 11.76 C ATOM 1913 CG ARG A 126 -10.062 -20.642 -1.312 1.00 12.03 C ATOM 1914 CD ARG A 126 -10.275 -19.379 -0.502 1.00 12.20 C ATOM 1915 NE ARG A 126 -10.370 -19.652 0.937 1.00 12.92 N ATOM 1916 CZ ARG A 126 -10.968 -18.850 1.829 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -11.539 -17.707 1.454 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -10.993 -19.198 3.108 1.00 14.26 N ATOM 0 H ARG A 126 -7.631 -20.307 -1.853 1.00 9.53 H new ATOM 0 HA ARG A 126 -8.850 -21.987 -3.561 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -9.941 -19.221 -2.899 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -10.880 -20.649 -3.283 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -10.884 -21.337 -1.140 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -9.149 -21.142 -0.988 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -9.452 -18.689 -0.685 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -11.187 -18.884 -0.837 1.00 12.20 H new ATOM 0 HE ARG A 126 -9.950 -20.515 1.283 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -11.526 -17.428 0.473 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -11.989 -17.110 2.148 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -10.559 -20.071 3.408 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -11.446 -18.593 3.792 1.00 14.26 H new ATOM 1932 N GLU A 127 -8.195 -19.110 -5.095 1.00 10.50 N ATOM 1933 CA GLU A 127 -8.090 -18.461 -6.402 1.00 10.79 C ATOM 1934 C GLU A 127 -6.857 -18.957 -7.163 1.00 10.06 C ATOM 1935 O GLU A 127 -6.852 -18.984 -8.397 1.00 10.61 O ATOM 1936 CB GLU A 127 -8.029 -16.948 -6.238 1.00 10.70 C ATOM 1937 CG GLU A 127 -9.374 -16.318 -5.881 1.00 11.77 C ATOM 1938 CD GLU A 127 -9.459 -14.850 -6.252 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -9.521 -14.008 -5.331 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -9.466 -14.542 -7.462 1.00 13.42 O ATOM 0 H GLU A 127 -7.818 -18.562 -4.322 1.00 10.50 H new ATOM 0 HA GLU A 127 -8.977 -18.720 -6.980 1.00 10.79 H new ATOM 0 HB2 GLU A 127 -7.305 -16.704 -5.461 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -7.664 -16.505 -7.164 1.00 10.70 H new ATOM 0 HG2 GLU A 127 -10.170 -16.862 -6.389 1.00 11.77 H new ATOM 0 HG3 GLU A 127 -9.547 -16.427 -4.810 1.00 11.77 H new ATOM 1947 N ALA A 128 -5.814 -19.348 -6.409 1.00 8.89 N ATOM 1948 CA ALA A 128 -4.568 -19.869 -6.986 1.00 8.16 C ATOM 1949 C ALA A 128 -4.719 -21.300 -7.519 1.00 8.57 C ATOM 1950 O ALA A 128 -3.962 -21.726 -8.395 1.00 8.66 O ATOM 1951 CB ALA A 128 -3.493 -19.855 -5.928 1.00 6.87 C ATOM 0 H ALA A 128 -5.813 -19.311 -5.390 1.00 8.89 H new ATOM 0 HA ALA A 128 -4.304 -19.228 -7.828 1.00 8.16 H new ATOM 0 HB1 ALA A 128 -2.564 -20.240 -6.348 1.00 6.87 H new ATOM 0 HB2 ALA A 128 -3.338 -18.834 -5.580 1.00 6.87 H new ATOM 0 HB3 ALA A 128 -3.799 -20.481 -5.090 1.00 6.87 H new ATOM 1957 N ALA A 129 -5.702 -22.027 -6.951 1.00 8.95 N ATOM 1958 CA ALA A 129 -6.025 -23.434 -7.286 1.00 9.43 C ATOM 1959 C ALA A 129 -5.058 -24.395 -6.588 1.00 8.51 C ATOM 1960 O ALA A 129 -5.487 -25.226 -5.784 1.00 8.76 O ATOM 1961 CB ALA A 129 -6.076 -23.695 -8.799 1.00 10.42 C ATOM 0 H ALA A 129 -6.311 -21.644 -6.227 1.00 8.95 H new ATOM 0 HA ALA A 129 -7.032 -23.622 -6.912 1.00 9.43 H new ATOM 0 HB1 ALA A 129 -6.317 -24.743 -8.980 1.00 10.42 H new ATOM 0 HB2 ALA A 129 -6.841 -23.064 -9.252 1.00 10.42 H new ATOM 0 HB3 ALA A 129 -5.107 -23.464 -9.241 1.00 10.42 H new ATOM 1967 N ILE A 130 -3.744 -24.260 -6.888 1.00 7.54 N ATOM 1968 CA ILE A 130 -2.666 -25.091 -6.287 1.00 6.69 C ATOM 1969 C ILE A 130 -2.708 -26.562 -6.741 1.00 6.68 C ATOM 1970 O ILE A 130 -1.665 -27.193 -6.934 1.00 6.97 O ATOM 1971 CB ILE A 130 -2.666 -24.974 -4.716 1.00 5.80 C ATOM 1972 CG1 ILE A 130 -1.341 -24.386 -4.204 1.00 5.43 C ATOM 1973 CG2 ILE A 130 -2.950 -26.301 -4.007 1.00 6.19 C ATOM 1974 CD1 ILE A 130 -1.299 -22.867 -4.174 1.00 4.53 C ATOM 0 H ILE A 130 -3.398 -23.570 -7.555 1.00 7.54 H new ATOM 0 HA ILE A 130 -1.725 -24.687 -6.661 1.00 6.69 H new ATOM 0 HB ILE A 130 -3.485 -24.298 -4.472 1.00 5.80 H new ATOM 0 HG12 ILE A 130 -1.155 -24.763 -3.198 1.00 5.43 H new ATOM 0 HG13 ILE A 130 -0.529 -24.748 -4.835 1.00 5.43 H new ATOM 0 HG21 ILE A 130 -2.935 -26.148 -2.928 1.00 6.19 H new ATOM 0 HG22 ILE A 130 -3.930 -26.671 -4.307 1.00 6.19 H new ATOM 0 HG23 ILE A 130 -2.187 -27.030 -4.280 1.00 6.19 H new ATOM 0 HD11 ILE A 130 -0.330 -22.537 -3.800 1.00 4.53 H new ATOM 0 HD12 ILE A 130 -1.451 -22.479 -5.181 1.00 4.53 H new ATOM 0 HD13 ILE A 130 -2.086 -22.494 -3.519 1.00 4.53 H new ATOM 1986 N ASP A 131 -3.924 -27.077 -6.901 1.00 6.58 N ATOM 1987 CA ASP A 131 -4.182 -28.466 -7.305 1.00 6.68 C ATOM 1988 C ASP A 131 -3.497 -28.834 -8.629 1.00 6.59 C ATOM 1989 O ASP A 131 -3.140 -27.956 -9.421 1.00 6.80 O ATOM 1990 CB ASP A 131 -5.696 -28.704 -7.403 1.00 7.70 C ATOM 1991 CG ASP A 131 -6.083 -30.153 -7.161 1.00 7.98 C ATOM 1992 OD1 ASP A 131 -6.336 -30.513 -5.993 1.00 8.18 O ATOM 1993 OD2 ASP A 131 -6.133 -30.926 -8.142 1.00 8.25 O ATOM 0 H ASP A 131 -4.776 -26.536 -6.752 1.00 6.58 H new ATOM 0 HA ASP A 131 -3.754 -29.113 -6.540 1.00 6.68 H new ATOM 0 HB2 ASP A 131 -6.206 -28.071 -6.677 1.00 7.70 H new ATOM 0 HB3 ASP A 131 -6.043 -28.400 -8.391 1.00 7.70 H new ATOM 1998 N GLY A 132 -3.328 -30.145 -8.844 1.00 6.49 N ATOM 1999 CA GLY A 132 -2.672 -30.647 -10.041 1.00 6.52 C ATOM 2000 C GLY A 132 -1.223 -30.996 -9.769 1.00 5.87 C ATOM 2001 O GLY A 132 -0.774 -32.104 -10.075 1.00 6.01 O ATOM 0 H GLY A 132 -3.640 -30.872 -8.199 1.00 6.49 H new ATOM 0 HA2 GLY A 132 -3.199 -31.529 -10.404 1.00 6.52 H new ATOM 0 HA3 GLY A 132 -2.726 -29.897 -10.830 1.00 6.52 H new ATOM 2005 N ASP A 133 -0.501 -30.032 -9.191 1.00 5.34 N ATOM 2006 CA ASP A 133 0.905 -30.196 -8.842 1.00 4.95 C ATOM 2007 C ASP A 133 1.031 -30.140 -7.345 1.00 4.57 C ATOM 2008 O ASP A 133 1.890 -30.784 -6.735 1.00 4.65 O ATOM 2009 CB ASP A 133 1.713 -29.040 -9.390 1.00 4.99 C ATOM 2010 CG ASP A 133 3.100 -29.448 -9.852 1.00 5.63 C ATOM 2011 OD1 ASP A 133 4.016 -29.501 -9.006 1.00 6.07 O ATOM 2012 OD2 ASP A 133 3.268 -29.714 -11.061 1.00 5.97 O ATOM 0 H ASP A 133 -0.880 -29.115 -8.953 1.00 5.34 H new ATOM 0 HA ASP A 133 1.263 -31.141 -9.250 1.00 4.95 H new ATOM 0 HB2 ASP A 133 1.175 -28.593 -10.226 1.00 4.99 H new ATOM 0 HB3 ASP A 133 1.804 -28.272 -8.622 1.00 4.99 H new ATOM 2017 N GLY A 134 0.132 -29.338 -6.781 1.00 4.47 N ATOM 2018 CA GLY A 134 0.085 -29.116 -5.377 1.00 4.33 C ATOM 2019 C GLY A 134 0.844 -27.870 -4.928 1.00 3.73 C ATOM 2020 O GLY A 134 0.666 -27.407 -3.798 1.00 3.75 O ATOM 0 H GLY A 134 -0.580 -28.830 -7.307 1.00 4.47 H new ATOM 0 HA2 GLY A 134 -0.956 -29.028 -5.066 1.00 4.33 H new ATOM 0 HA3 GLY A 134 0.498 -29.986 -4.866 1.00 4.33 H new ATOM 2024 N GLN A 135 1.687 -27.338 -5.820 1.00 3.55 N ATOM 2025 CA GLN A 135 2.475 -26.138 -5.554 1.00 3.33 C ATOM 2026 C GLN A 135 1.961 -24.943 -6.379 1.00 3.69 C ATOM 2027 O GLN A 135 0.934 -25.051 -7.058 1.00 4.33 O ATOM 2028 CB GLN A 135 3.953 -26.425 -5.841 1.00 3.82 C ATOM 2029 CG GLN A 135 4.265 -27.008 -7.222 1.00 4.41 C ATOM 2030 CD GLN A 135 5.714 -27.429 -7.363 1.00 5.26 C ATOM 2031 OE1 GLN A 135 6.071 -28.572 -7.074 1.00 5.74 O ATOM 2032 NE2 GLN A 135 6.558 -26.507 -7.806 1.00 5.78 N ATOM 0 H GLN A 135 1.840 -27.732 -6.748 1.00 3.55 H new ATOM 0 HA GLN A 135 2.369 -25.867 -4.503 1.00 3.33 H new ATOM 0 HB2 GLN A 135 4.513 -25.497 -5.725 1.00 3.82 H new ATOM 0 HB3 GLN A 135 4.322 -27.117 -5.084 1.00 3.82 H new ATOM 0 HG2 GLN A 135 3.621 -27.869 -7.403 1.00 4.41 H new ATOM 0 HG3 GLN A 135 4.030 -26.268 -7.987 1.00 4.41 H new ATOM 0 HE21 GLN A 135 6.219 -25.572 -8.034 1.00 5.78 H new ATOM 0 HE22 GLN A 135 7.546 -26.733 -7.919 1.00 5.78 H new ATOM 2041 N VAL A 136 2.680 -23.807 -6.315 1.00 3.59 N ATOM 2042 CA VAL A 136 2.300 -22.599 -7.047 1.00 4.23 C ATOM 2043 C VAL A 136 3.530 -21.775 -7.446 1.00 4.67 C ATOM 2044 O VAL A 136 4.670 -22.241 -7.344 1.00 4.74 O ATOM 2045 CB VAL A 136 1.246 -21.763 -6.237 1.00 4.02 C ATOM 2046 CG1 VAL A 136 1.857 -21.043 -5.035 1.00 3.51 C ATOM 2047 CG2 VAL A 136 0.464 -20.786 -7.120 1.00 5.08 C ATOM 0 H VAL A 136 3.530 -23.707 -5.760 1.00 3.59 H new ATOM 0 HA VAL A 136 1.819 -22.899 -7.978 1.00 4.23 H new ATOM 0 HB VAL A 136 0.536 -22.494 -5.849 1.00 4.02 H new ATOM 0 HG11 VAL A 136 1.081 -20.482 -4.514 1.00 3.51 H new ATOM 0 HG12 VAL A 136 2.293 -21.775 -4.356 1.00 3.51 H new ATOM 0 HG13 VAL A 136 2.633 -20.358 -5.377 1.00 3.51 H new ATOM 0 HG21 VAL A 136 -0.250 -20.235 -6.508 1.00 5.08 H new ATOM 0 HG22 VAL A 136 1.156 -20.087 -7.590 1.00 5.08 H new ATOM 0 HG23 VAL A 136 -0.071 -21.341 -7.891 1.00 5.08 H new ATOM 2057 N ASN A 137 3.266 -20.552 -7.898 1.00 5.28 N ATOM 2058 CA ASN A 137 4.313 -19.643 -8.354 1.00 5.95 C ATOM 2059 C ASN A 137 4.902 -18.822 -7.203 1.00 5.49 C ATOM 2060 O ASN A 137 4.629 -19.061 -6.023 1.00 4.60 O ATOM 2061 CB ASN A 137 3.814 -18.685 -9.456 1.00 7.18 C ATOM 2062 CG ASN A 137 3.032 -19.364 -10.567 1.00 7.90 C ATOM 2063 OD1 ASN A 137 3.529 -19.517 -11.682 1.00 8.11 O ATOM 2064 ND2 ASN A 137 1.803 -19.768 -10.269 1.00 8.51 N ATOM 0 H ASN A 137 2.324 -20.165 -7.958 1.00 5.28 H new ATOM 0 HA ASN A 137 5.094 -20.279 -8.770 1.00 5.95 H new ATOM 0 HB2 ASN A 137 3.185 -17.921 -8.999 1.00 7.18 H new ATOM 0 HB3 ASN A 137 4.672 -18.173 -9.892 1.00 7.18 H new ATOM 0 HD21 ASN A 137 1.231 -20.226 -10.978 1.00 8.51 H new ATOM 0 HD22 ASN A 137 1.431 -19.620 -9.331 1.00 8.51 H new ATOM 2071 N TYR A 138 5.712 -17.856 -7.608 1.00 6.22 N ATOM 2072 CA TYR A 138 6.434 -16.946 -6.739 1.00 6.03 C ATOM 2073 C TYR A 138 5.803 -15.562 -6.782 1.00 6.55 C ATOM 2074 O TYR A 138 5.552 -14.954 -5.745 1.00 6.13 O ATOM 2075 CB TYR A 138 7.902 -16.870 -7.219 1.00 6.78 C ATOM 2076 CG TYR A 138 8.035 -17.198 -8.695 1.00 7.93 C ATOM 2077 CD1 TYR A 138 8.650 -16.349 -9.597 1.00 8.62 C ATOM 2078 CD2 TYR A 138 7.477 -18.365 -9.178 1.00 8.50 C ATOM 2079 CE1 TYR A 138 8.698 -16.671 -10.942 1.00 9.65 C ATOM 2080 CE2 TYR A 138 7.515 -18.701 -10.483 1.00 9.54 C ATOM 2081 CZ TYR A 138 8.126 -17.854 -11.385 1.00 10.06 C ATOM 2082 OH TYR A 138 8.169 -18.184 -12.720 1.00 11.13 O ATOM 0 H TYR A 138 5.890 -17.679 -8.597 1.00 6.22 H new ATOM 0 HA TYR A 138 6.394 -17.309 -5.712 1.00 6.03 H new ATOM 0 HB2 TYR A 138 8.293 -15.870 -7.033 1.00 6.78 H new ATOM 0 HB3 TYR A 138 8.510 -17.563 -6.637 1.00 6.78 H new ATOM 0 HD1 TYR A 138 9.096 -15.429 -9.249 1.00 8.62 H new ATOM 0 HD2 TYR A 138 6.991 -19.034 -8.483 1.00 8.50 H new ATOM 0 HE1 TYR A 138 9.178 -16.004 -11.643 1.00 9.65 H new ATOM 0 HE2 TYR A 138 7.071 -19.626 -10.820 1.00 9.54 H new ATOM 0 HH TYR A 138 7.723 -19.046 -12.859 1.00 11.13 H new ATOM 2092 N GLU A 139 5.562 -15.078 -8.011 1.00 7.59 N ATOM 2093 CA GLU A 139 4.986 -13.752 -8.244 1.00 8.39 C ATOM 2094 C GLU A 139 3.454 -13.755 -8.168 1.00 8.26 C ATOM 2095 O GLU A 139 2.870 -13.002 -7.391 1.00 8.61 O ATOM 2096 CB GLU A 139 5.443 -13.197 -9.605 1.00 9.64 C ATOM 2097 CG GLU A 139 6.935 -12.904 -9.691 1.00 10.21 C ATOM 2098 CD GLU A 139 7.315 -12.189 -10.973 1.00 11.39 C ATOM 2099 OE1 GLU A 139 7.308 -10.940 -10.982 1.00 11.90 O ATOM 2100 OE2 GLU A 139 7.619 -12.879 -11.969 1.00 11.94 O ATOM 0 H GLU A 139 5.762 -15.596 -8.866 1.00 7.59 H new ATOM 0 HA GLU A 139 5.351 -13.106 -7.446 1.00 8.39 H new ATOM 0 HB2 GLU A 139 5.179 -13.913 -10.384 1.00 9.64 H new ATOM 0 HB3 GLU A 139 4.892 -12.280 -9.815 1.00 9.64 H new ATOM 0 HG2 GLU A 139 7.232 -12.294 -8.838 1.00 10.21 H new ATOM 0 HG3 GLU A 139 7.490 -13.840 -9.623 1.00 10.21 H new ATOM 2107 N GLU A 140 2.821 -14.636 -8.963 1.00 7.94 N ATOM 2108 CA GLU A 140 1.349 -14.733 -9.064 1.00 8.10 C ATOM 2109 C GLU A 140 0.625 -14.969 -7.729 1.00 7.13 C ATOM 2110 O GLU A 140 -0.560 -14.638 -7.618 1.00 7.54 O ATOM 2111 CB GLU A 140 0.955 -15.835 -10.053 1.00 8.42 C ATOM 2112 CG GLU A 140 1.237 -15.489 -11.508 1.00 9.47 C ATOM 2113 CD GLU A 140 0.839 -16.600 -12.459 1.00 9.95 C ATOM 2114 OE1 GLU A 140 -0.322 -16.599 -12.920 1.00 10.29 O ATOM 2115 OE2 GLU A 140 1.688 -17.471 -12.744 1.00 10.17 O ATOM 0 H GLU A 140 3.315 -15.303 -9.556 1.00 7.94 H new ATOM 0 HA GLU A 140 1.025 -13.754 -9.417 1.00 8.10 H new ATOM 0 HB2 GLU A 140 1.492 -16.748 -9.797 1.00 8.42 H new ATOM 0 HB3 GLU A 140 -0.108 -16.048 -9.940 1.00 8.42 H new ATOM 0 HG2 GLU A 140 0.698 -14.579 -11.772 1.00 9.47 H new ATOM 0 HG3 GLU A 140 2.299 -15.276 -11.628 1.00 9.47 H new ATOM 2122 N PHE A 141 1.315 -15.530 -6.722 1.00 5.98 N ATOM 2123 CA PHE A 141 0.681 -15.790 -5.432 1.00 5.06 C ATOM 2124 C PHE A 141 0.706 -14.575 -4.506 1.00 4.76 C ATOM 2125 O PHE A 141 -0.299 -14.270 -3.857 1.00 5.06 O ATOM 2126 CB PHE A 141 1.265 -17.029 -4.739 1.00 3.97 C ATOM 2127 CG PHE A 141 0.277 -17.657 -3.810 1.00 3.73 C ATOM 2128 CD1 PHE A 141 0.121 -17.153 -2.535 1.00 3.83 C ATOM 2129 CD2 PHE A 141 -0.532 -18.702 -4.233 1.00 4.10 C ATOM 2130 CE1 PHE A 141 -0.827 -17.670 -1.690 1.00 4.24 C ATOM 2131 CE2 PHE A 141 -1.482 -19.244 -3.375 1.00 4.47 C ATOM 2132 CZ PHE A 141 -1.622 -18.712 -2.108 1.00 4.52 C ATOM 0 H PHE A 141 2.295 -15.806 -6.780 1.00 5.98 H new ATOM 0 HA PHE A 141 -0.366 -15.999 -5.652 1.00 5.06 H new ATOM 0 HB2 PHE A 141 1.572 -17.756 -5.491 1.00 3.97 H new ATOM 0 HB3 PHE A 141 2.160 -16.748 -4.184 1.00 3.97 H new ATOM 0 HD1 PHE A 141 0.752 -16.343 -2.199 1.00 3.83 H new ATOM 0 HD2 PHE A 141 -0.423 -19.096 -5.233 1.00 4.10 H new ATOM 0 HE1 PHE A 141 -0.949 -17.260 -0.698 1.00 4.24 H new ATOM 0 HE2 PHE A 141 -2.102 -20.069 -3.694 1.00 4.47 H new ATOM 0 HZ PHE A 141 -2.364 -19.119 -1.437 1.00 4.52 H new ATOM 2142 N VAL A 142 1.844 -13.895 -4.449 1.00 4.40 N ATOM 2143 CA VAL A 142 1.986 -12.676 -3.618 1.00 4.15 C ATOM 2144 C VAL A 142 1.266 -11.537 -4.306 1.00 5.25 C ATOM 2145 O VAL A 142 0.674 -10.670 -3.663 1.00 5.25 O ATOM 2146 CB VAL A 142 3.445 -12.220 -3.372 1.00 4.09 C ATOM 2147 CG1 VAL A 142 3.604 -11.700 -1.957 1.00 3.37 C ATOM 2148 CG2 VAL A 142 4.441 -13.320 -3.646 1.00 3.96 C ATOM 0 H VAL A 142 2.687 -14.155 -4.961 1.00 4.40 H new ATOM 0 HA VAL A 142 1.565 -12.931 -2.645 1.00 4.15 H new ATOM 0 HB VAL A 142 3.655 -11.414 -4.075 1.00 4.09 H new ATOM 0 HG11 VAL A 142 4.635 -11.383 -1.799 1.00 3.37 H new ATOM 0 HG12 VAL A 142 2.936 -10.852 -1.804 1.00 3.37 H new ATOM 0 HG13 VAL A 142 3.355 -12.490 -1.249 1.00 3.37 H new ATOM 0 HG21 VAL A 142 5.450 -12.952 -3.459 1.00 3.96 H new ATOM 0 HG22 VAL A 142 4.237 -14.167 -2.991 1.00 3.96 H new ATOM 0 HG23 VAL A 142 4.357 -13.636 -4.686 1.00 3.96 H new ATOM 2158 N GLN A 143 1.347 -11.550 -5.637 1.00 6.26 N ATOM 2159 CA GLN A 143 0.660 -10.551 -6.464 1.00 7.42 C ATOM 2160 C GLN A 143 -0.845 -10.563 -6.203 1.00 7.74 C ATOM 2161 O GLN A 143 -1.513 -9.537 -6.358 1.00 8.48 O ATOM 2162 CB GLN A 143 0.934 -10.769 -7.954 1.00 8.47 C ATOM 2163 CG GLN A 143 2.274 -10.222 -8.416 1.00 9.24 C ATOM 2164 CD GLN A 143 2.432 -10.270 -9.924 1.00 10.23 C ATOM 2165 OE1 GLN A 143 2.110 -9.311 -10.624 1.00 10.70 O ATOM 2166 NE2 GLN A 143 2.922 -11.395 -10.431 1.00 10.74 N ATOM 0 H GLN A 143 1.880 -12.239 -6.167 1.00 6.26 H new ATOM 0 HA GLN A 143 1.057 -9.575 -6.183 1.00 7.42 H new ATOM 0 HB2 GLN A 143 0.894 -11.837 -8.169 1.00 8.47 H new ATOM 0 HB3 GLN A 143 0.140 -10.297 -8.533 1.00 8.47 H new ATOM 0 HG2 GLN A 143 2.379 -9.192 -8.075 1.00 9.24 H new ATOM 0 HG3 GLN A 143 3.076 -10.795 -7.951 1.00 9.24 H new ATOM 0 HE21 GLN A 143 3.176 -12.165 -9.812 1.00 10.74 H new ATOM 0 HE22 GLN A 143 3.045 -11.489 -11.439 1.00 10.74 H new ATOM 2175 N MET A 144 -1.367 -11.734 -5.807 1.00 7.32 N ATOM 2176 CA MET A 144 -2.783 -11.868 -5.493 1.00 7.88 C ATOM 2177 C MET A 144 -3.083 -11.530 -4.043 1.00 7.37 C ATOM 2178 O MET A 144 -4.242 -11.501 -3.613 1.00 8.01 O ATOM 2179 CB MET A 144 -3.307 -13.256 -5.859 1.00 8.04 C ATOM 2180 CG MET A 144 -4.628 -13.233 -6.613 1.00 9.33 C ATOM 2181 SD MET A 144 -5.663 -14.658 -6.236 1.00 9.76 S ATOM 2182 CE MET A 144 -6.516 -14.078 -4.770 1.00 9.64 C ATOM 0 H MET A 144 -0.827 -12.593 -5.699 1.00 7.32 H new ATOM 0 HA MET A 144 -3.313 -11.139 -6.106 1.00 7.88 H new ATOM 0 HB2 MET A 144 -2.561 -13.767 -6.467 1.00 8.04 H new ATOM 0 HB3 MET A 144 -3.430 -13.840 -4.947 1.00 8.04 H new ATOM 0 HG2 MET A 144 -5.169 -12.320 -6.364 1.00 9.33 H new ATOM 0 HG3 MET A 144 -4.430 -13.205 -7.685 1.00 9.33 H new ATOM 0 HE1 MET A 144 -6.925 -14.930 -4.226 1.00 9.64 H new ATOM 0 HE2 MET A 144 -5.816 -13.541 -4.130 1.00 9.64 H new ATOM 0 HE3 MET A 144 -7.327 -13.410 -5.061 1.00 9.64 H new ATOM 2192 N MET A 145 -2.019 -11.270 -3.319 1.00 6.37 N ATOM 2193 CA MET A 145 -2.099 -10.867 -1.914 1.00 5.88 C ATOM 2194 C MET A 145 -1.997 -9.343 -1.855 1.00 6.25 C ATOM 2195 O MET A 145 -2.392 -8.707 -0.874 1.00 6.33 O ATOM 2196 CB MET A 145 -1.044 -11.589 -1.036 1.00 4.66 C ATOM 2197 CG MET A 145 0.270 -10.851 -0.838 1.00 3.68 C ATOM 2198 SD MET A 145 0.190 -9.611 0.471 1.00 3.52 S ATOM 2199 CE MET A 145 1.602 -8.589 0.056 1.00 3.45 C ATOM 0 H MET A 145 -1.066 -11.329 -3.679 1.00 6.37 H new ATOM 0 HA MET A 145 -3.056 -11.173 -1.490 1.00 5.88 H new ATOM 0 HB2 MET A 145 -1.483 -11.779 -0.057 1.00 4.66 H new ATOM 0 HB3 MET A 145 -0.830 -12.560 -1.483 1.00 4.66 H new ATOM 0 HG2 MET A 145 1.053 -11.571 -0.602 1.00 3.68 H new ATOM 0 HG3 MET A 145 0.553 -10.367 -1.773 1.00 3.68 H new ATOM 0 HE1 MET A 145 2.218 -8.442 0.943 1.00 3.45 H new ATOM 0 HE2 MET A 145 2.192 -9.080 -0.718 1.00 3.45 H new ATOM 0 HE3 MET A 145 1.256 -7.622 -0.310 1.00 3.45 H new ATOM 2209 N THR A 146 -1.450 -8.792 -2.946 1.00 6.65 N ATOM 2210 CA THR A 146 -1.298 -7.359 -3.132 1.00 7.20 C ATOM 2211 C THR A 146 -2.530 -6.820 -3.876 1.00 8.45 C ATOM 2212 O THR A 146 -2.868 -5.639 -3.754 1.00 8.99 O ATOM 2213 CB THR A 146 -0.014 -7.031 -3.934 1.00 7.31 C ATOM 2214 OG1 THR A 146 1.052 -7.906 -3.539 1.00 6.44 O ATOM 2215 CG2 THR A 146 0.427 -5.585 -3.720 1.00 7.72 C ATOM 0 H THR A 146 -1.099 -9.343 -3.729 1.00 6.65 H new ATOM 0 HA THR A 146 -1.211 -6.885 -2.154 1.00 7.20 H new ATOM 0 HB THR A 146 -0.244 -7.173 -4.990 1.00 7.31 H new ATOM 0 HG1 THR A 146 0.827 -8.827 -3.786 1.00 6.44 H new ATOM 0 HG21 THR A 146 1.331 -5.391 -4.298 1.00 7.72 H new ATOM 0 HG22 THR A 146 -0.365 -4.911 -4.047 1.00 7.72 H new ATOM 0 HG23 THR A 146 0.630 -5.419 -2.662 1.00 7.72 H new ATOM 2223 N ALA A 147 -3.191 -7.709 -4.648 1.00 8.92 N ATOM 2224 CA ALA A 147 -4.391 -7.351 -5.402 1.00 10.15 C ATOM 2225 C ALA A 147 -5.661 -7.678 -4.612 1.00 10.43 C ATOM 2226 O ALA A 147 -6.661 -6.961 -4.714 1.00 11.37 O ATOM 2227 CB ALA A 147 -4.403 -8.072 -6.741 1.00 10.68 C ATOM 0 H ALA A 147 -2.905 -8.682 -4.759 1.00 8.92 H new ATOM 0 HA ALA A 147 -4.372 -6.275 -5.577 1.00 10.15 H new ATOM 0 HB1 ALA A 147 -5.301 -7.798 -7.294 1.00 10.68 H new ATOM 0 HB2 ALA A 147 -3.522 -7.787 -7.316 1.00 10.68 H new ATOM 0 HB3 ALA A 147 -4.394 -9.149 -6.574 1.00 10.68 H new ATOM 2233 N LYS A 148 -5.609 -8.767 -3.826 1.00 9.72 N ATOM 2234 CA LYS A 148 -6.737 -9.201 -3.015 1.00 10.13 C ATOM 2235 C LYS A 148 -6.281 -9.574 -1.605 1.00 9.70 C ATOM 2236 O LYS A 148 -5.461 -10.509 -1.471 1.00 9.60 O ATOM 2237 CB LYS A 148 -7.469 -10.386 -3.671 1.00 10.60 C ATOM 2238 CG LYS A 148 -8.315 -10.011 -4.886 1.00 11.38 C ATOM 2239 CD LYS A 148 -7.514 -10.081 -6.179 1.00 11.36 C ATOM 2240 CE LYS A 148 -8.363 -9.705 -7.382 1.00 12.34 C ATOM 2241 NZ LYS A 148 -7.589 -9.775 -8.652 1.00 12.59 N ATOM 2242 OXT LYS A 148 -6.750 -8.928 -0.645 1.00 9.69 O ATOM 0 H LYS A 148 -4.785 -9.362 -3.742 1.00 9.72 H new ATOM 0 HA LYS A 148 -7.434 -8.366 -2.944 1.00 10.13 H new ATOM 0 HB2 LYS A 148 -6.732 -11.130 -3.972 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -8.112 -10.857 -2.927 1.00 10.60 H new ATOM 0 HG2 LYS A 148 -9.172 -10.682 -4.953 1.00 11.38 H new ATOM 0 HG3 LYS A 148 -8.709 -9.003 -4.757 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -6.657 -9.411 -6.114 1.00 11.36 H new ATOM 0 HD3 LYS A 148 -7.121 -11.089 -6.311 1.00 11.36 H new ATOM 0 HE2 LYS A 148 -9.222 -10.373 -7.443 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -8.753 -8.696 -7.250 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -8.204 -9.511 -9.448 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -6.784 -9.119 -8.604 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -7.238 -10.744 -8.792 1.00 12.59 H new