USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 963 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 99 THR OG1 : rot 180:sc= 0.0122 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 124:sc=-0.00996 (180deg=-0.215) USER MOD Set 2.1: A 51 GLN : amide:sc= 0.011 X(o=0.022,f=-0.43) USER MOD Set 2.2: A 66 SER OG : rot 150:sc= 0.0113 USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.2!) USER MOD Set 4.1: A 33 ASN : amide:sc= -2.08 K(o=-2.8,f=0.37) USER MOD Set 4.2: A 39 THR OG1 : rot 120:sc= -0.741 USER MOD Set 5.1: A 35 MET CE :methyl -145:sc= -2.78! (180deg=-2.09) USER MOD Set 5.2: A 86 ASN : amide:sc= 1.04 K(o=-1.7,f=-7.9!) USER MOD Set 6.1: A 23 TYR OH : rot 86:sc= 1.24 USER MOD Set 6.2: A 25 SER OG : rot 136:sc= 0.69 USER MOD Set 7.1: A 19 ASN : amide:sc= -1.96! C(o=-2.4!,f=-2.5!) USER MOD Set 7.2: A 77 MET CE :methyl 148:sc= -0.247 (180deg=-0.892) USER MOD Set 7.3: A 111 MET CE :methyl 161:sc= -0.181 (180deg=-0.925) USER MOD Set 8.1: A 18 HIS : no HE2:sc= -0.398 K(o=0.99,f=-7.5!) USER MOD Set 8.2: A 81 SER OG : rot -36:sc= 1.39 USER MOD Single : A 27 GLN : amide:sc= 0.042 X(o=0.042,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -1.23 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -89:sc= -0.972 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 93 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 95 TYR OH : rot 130:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.341 K(o=-0.34,f=-4.6!) USER MOD Single : A 108 SER OG : rot -32:sc= 0.725 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 66:sc= -0.0561 USER MOD Single : A 116 TYR OH : rot 0:sc= 0 USER MOD Single : A 117 MET CE :methyl -124:sc= -1.13 (180deg=-4.78!) USER MOD Single : A 120 ASN : amide:sc= -0.0613! K(o=-0.061!,f=-0.65) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl -117:sc= 0 (180deg=-0.103) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl -161:sc= 0 (180deg=-0.134) USER MOD Single : A 153 CYS SG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 17 -23.939 -11.934 -11.037 1.00 54.22 N ATOM 94 CA LEU A 17 -23.511 -11.147 -9.948 1.00 73.40 C ATOM 95 C LEU A 17 -22.572 -10.104 -10.460 1.00 0.32 C ATOM 96 O LEU A 17 -21.945 -10.268 -11.524 1.00 71.30 O ATOM 97 CB LEU A 17 -22.845 -11.957 -8.850 1.00 32.00 C ATOM 98 CG LEU A 17 -23.673 -13.045 -8.163 1.00 40.32 C ATOM 99 CD1 LEU A 17 -25.004 -12.514 -7.648 1.00 55.33 C ATOM 100 CD2 LEU A 17 -23.843 -14.256 -9.038 1.00 25.42 C ATOM 0 HA LEU A 17 -24.393 -10.693 -9.496 1.00 73.40 H new ATOM 0 HB2 LEU A 17 -21.958 -12.428 -9.273 1.00 32.00 H new ATOM 0 HB3 LEU A 17 -22.502 -11.263 -8.083 1.00 32.00 H new ATOM 0 HG LEU A 17 -23.109 -13.367 -7.287 1.00 40.32 H new ATOM 0 HD11 LEU A 17 -25.557 -13.322 -7.168 1.00 55.33 H new ATOM 0 HD12 LEU A 17 -24.823 -11.719 -6.925 1.00 55.33 H new ATOM 0 HD13 LEU A 17 -25.586 -12.121 -8.482 1.00 55.33 H new ATOM 0 HD21 LEU A 17 -24.437 -15.004 -8.513 1.00 25.42 H new ATOM 0 HD22 LEU A 17 -24.351 -13.971 -9.959 1.00 25.42 H new ATOM 0 HD23 LEU A 17 -22.864 -14.672 -9.277 1.00 25.42 H new ATOM 112 N HIS A 18 -22.476 -9.049 -9.752 1.00 65.32 N ATOM 113 CA HIS A 18 -21.710 -7.935 -10.205 1.00 53.14 C ATOM 114 C HIS A 18 -20.527 -7.731 -9.315 1.00 31.42 C ATOM 115 O HIS A 18 -20.490 -8.228 -8.173 1.00 41.43 O ATOM 116 CB HIS A 18 -22.564 -6.673 -10.236 1.00 73.00 C ATOM 117 CG HIS A 18 -23.809 -6.800 -11.066 1.00 31.51 C ATOM 118 ND1 HIS A 18 -23.952 -6.268 -12.325 1.00 62.11 N ATOM 119 CD2 HIS A 18 -24.986 -7.395 -10.780 1.00 73.30 C ATOM 120 CE1 HIS A 18 -25.160 -6.528 -12.773 1.00 33.11 C ATOM 121 NE2 HIS A 18 -25.806 -7.214 -11.852 1.00 63.21 N ATOM 0 H HIS A 18 -22.921 -8.922 -8.843 1.00 65.32 H new ATOM 0 HA HIS A 18 -21.363 -8.143 -11.217 1.00 53.14 H new ATOM 0 HB2 HIS A 18 -22.845 -6.411 -9.216 1.00 73.00 H new ATOM 0 HB3 HIS A 18 -21.964 -5.850 -10.623 1.00 73.00 H new ATOM 0 HD1 HIS A 18 -23.233 -5.752 -12.832 1.00 62.11 H new ATOM 0 HD2 HIS A 18 -25.232 -7.919 -9.868 1.00 73.30 H new ATOM 0 HE1 HIS A 18 -25.556 -6.230 -13.733 1.00 33.11 H new ATOM 130 N ASN A 19 -19.568 -7.040 -9.835 1.00 41.42 N ATOM 131 CA ASN A 19 -18.359 -6.756 -9.151 1.00 43.04 C ATOM 132 C ASN A 19 -18.019 -5.280 -9.214 1.00 11.41 C ATOM 133 O ASN A 19 -18.027 -4.652 -10.283 1.00 34.21 O ATOM 134 CB ASN A 19 -17.212 -7.687 -9.598 1.00 31.03 C ATOM 135 CG ASN A 19 -17.020 -7.819 -11.105 1.00 34.34 C ATOM 136 OD1 ASN A 19 -17.287 -6.904 -11.883 1.00 73.44 O ATOM 137 ND2 ASN A 19 -16.575 -8.988 -11.521 1.00 44.35 N ATOM 0 H ASN A 19 -19.609 -6.648 -10.776 1.00 41.42 H new ATOM 0 HA ASN A 19 -18.508 -6.977 -8.094 1.00 43.04 H new ATOM 0 HB2 ASN A 19 -16.282 -7.323 -9.162 1.00 31.03 H new ATOM 0 HB3 ASN A 19 -17.391 -8.679 -9.184 1.00 31.03 H new ATOM 0 HD21 ASN A 19 -16.441 -9.157 -12.518 1.00 44.35 H new ATOM 0 HD22 ASN A 19 -16.364 -9.723 -10.846 1.00 44.35 H new ATOM 144 N VAL A 20 -17.768 -4.728 -8.061 1.00 21.33 N ATOM 145 CA VAL A 20 -17.528 -3.315 -7.894 1.00 22.34 C ATOM 146 C VAL A 20 -16.226 -3.107 -7.138 1.00 35.41 C ATOM 147 O VAL A 20 -15.908 -3.869 -6.234 1.00 12.10 O ATOM 148 CB VAL A 20 -18.705 -2.656 -7.089 1.00 41.14 C ATOM 149 CG1 VAL A 20 -18.481 -1.167 -6.861 1.00 2.43 C ATOM 150 CG2 VAL A 20 -20.042 -2.882 -7.790 1.00 44.31 C ATOM 0 H VAL A 20 -17.723 -5.256 -7.189 1.00 21.33 H new ATOM 0 HA VAL A 20 -17.463 -2.850 -8.878 1.00 22.34 H new ATOM 0 HB VAL A 20 -18.729 -3.143 -6.114 1.00 41.14 H new ATOM 0 HG11 VAL A 20 -19.320 -0.754 -6.301 1.00 2.43 H new ATOM 0 HG12 VAL A 20 -17.560 -1.020 -6.297 1.00 2.43 H new ATOM 0 HG13 VAL A 20 -18.402 -0.660 -7.822 1.00 2.43 H new ATOM 0 HG21 VAL A 20 -20.840 -2.416 -7.212 1.00 44.31 H new ATOM 0 HG22 VAL A 20 -20.010 -2.440 -8.786 1.00 44.31 H new ATOM 0 HG23 VAL A 20 -20.233 -3.952 -7.874 1.00 44.31 H new ATOM 160 N PHE A 21 -15.495 -2.100 -7.506 1.00 73.25 N ATOM 161 CA PHE A 21 -14.265 -1.760 -6.840 1.00 15.41 C ATOM 162 C PHE A 21 -14.588 -0.720 -5.784 1.00 60.54 C ATOM 163 O PHE A 21 -15.167 0.325 -6.088 1.00 63.44 O ATOM 164 CB PHE A 21 -13.266 -1.218 -7.880 1.00 12.21 C ATOM 165 CG PHE A 21 -11.926 -0.767 -7.348 1.00 4.24 C ATOM 166 CD1 PHE A 21 -10.961 -1.687 -6.956 1.00 43.53 C ATOM 167 CD2 PHE A 21 -11.621 0.583 -7.274 1.00 55.42 C ATOM 168 CE1 PHE A 21 -9.731 -1.264 -6.504 1.00 54.10 C ATOM 169 CE2 PHE A 21 -10.391 1.008 -6.818 1.00 74.15 C ATOM 170 CZ PHE A 21 -9.446 0.083 -6.434 1.00 51.21 C ATOM 0 H PHE A 21 -15.733 -1.483 -8.283 1.00 73.25 H new ATOM 0 HA PHE A 21 -13.811 -2.628 -6.362 1.00 15.41 H new ATOM 0 HB2 PHE A 21 -13.094 -1.994 -8.626 1.00 12.21 H new ATOM 0 HB3 PHE A 21 -13.730 -0.377 -8.395 1.00 12.21 H new ATOM 0 HD1 PHE A 21 -11.178 -2.744 -7.006 1.00 43.53 H new ATOM 0 HD2 PHE A 21 -12.357 1.312 -7.578 1.00 55.42 H new ATOM 0 HE1 PHE A 21 -8.988 -1.989 -6.204 1.00 54.10 H new ATOM 0 HE2 PHE A 21 -10.169 2.064 -6.762 1.00 74.15 H new ATOM 0 HZ PHE A 21 -8.481 0.413 -6.078 1.00 51.21 H new ATOM 180 N VAL A 22 -14.253 -1.008 -4.554 1.00 62.43 N ATOM 181 CA VAL A 22 -14.588 -0.120 -3.483 1.00 45.41 C ATOM 182 C VAL A 22 -13.424 0.795 -3.131 1.00 23.35 C ATOM 183 O VAL A 22 -12.269 0.366 -3.065 1.00 40.30 O ATOM 184 CB VAL A 22 -15.151 -0.859 -2.231 1.00 53.42 C ATOM 185 CG1 VAL A 22 -14.152 -1.820 -1.608 1.00 75.11 C ATOM 186 CG2 VAL A 22 -15.653 0.130 -1.214 1.00 54.21 C ATOM 0 H VAL A 22 -13.750 -1.850 -4.274 1.00 62.43 H new ATOM 0 HA VAL A 22 -15.401 0.508 -3.847 1.00 45.41 H new ATOM 0 HB VAL A 22 -15.987 -1.468 -2.576 1.00 53.42 H new ATOM 0 HG11 VAL A 22 -14.603 -2.303 -0.741 1.00 75.11 H new ATOM 0 HG12 VAL A 22 -13.871 -2.577 -2.340 1.00 75.11 H new ATOM 0 HG13 VAL A 22 -13.264 -1.270 -1.295 1.00 75.11 H new ATOM 0 HG21 VAL A 22 -16.042 -0.405 -0.348 1.00 54.21 H new ATOM 0 HG22 VAL A 22 -14.834 0.779 -0.903 1.00 54.21 H new ATOM 0 HG23 VAL A 22 -16.447 0.733 -1.654 1.00 54.21 H new ATOM 196 N TYR A 23 -13.743 2.046 -2.919 1.00 13.24 N ATOM 197 CA TYR A 23 -12.755 3.064 -2.686 1.00 61.23 C ATOM 198 C TYR A 23 -12.728 3.585 -1.235 1.00 41.44 C ATOM 199 O TYR A 23 -11.659 3.630 -0.611 1.00 42.42 O ATOM 200 CB TYR A 23 -12.946 4.210 -3.696 1.00 3.44 C ATOM 201 CG TYR A 23 -14.339 4.834 -3.699 1.00 14.35 C ATOM 202 CD1 TYR A 23 -15.406 4.207 -4.331 1.00 63.45 C ATOM 203 CD2 TYR A 23 -14.581 6.032 -3.060 1.00 64.22 C ATOM 204 CE1 TYR A 23 -16.662 4.762 -4.319 1.00 61.14 C ATOM 205 CE2 TYR A 23 -15.835 6.593 -3.040 1.00 12.23 C ATOM 206 CZ TYR A 23 -16.869 5.958 -3.671 1.00 4.15 C ATOM 207 OH TYR A 23 -18.121 6.508 -3.636 1.00 60.14 O ATOM 0 H TYR A 23 -14.704 2.388 -2.903 1.00 13.24 H new ATOM 0 HA TYR A 23 -11.779 2.604 -2.837 1.00 61.23 H new ATOM 0 HB2 TYR A 23 -12.214 4.989 -3.483 1.00 3.44 H new ATOM 0 HB3 TYR A 23 -12.729 3.834 -4.696 1.00 3.44 H new ATOM 0 HD1 TYR A 23 -15.245 3.268 -4.840 1.00 63.45 H new ATOM 0 HD2 TYR A 23 -13.767 6.540 -2.565 1.00 64.22 H new ATOM 0 HE1 TYR A 23 -17.482 4.263 -4.815 1.00 61.14 H new ATOM 0 HE2 TYR A 23 -16.003 7.530 -2.529 1.00 12.23 H new ATOM 0 HH TYR A 23 -18.621 6.134 -2.881 1.00 60.14 H new ATOM 217 N GLY A 24 -13.879 3.962 -0.683 1.00 23.21 N ATOM 218 CA GLY A 24 -13.839 4.564 0.630 1.00 22.31 C ATOM 219 C GLY A 24 -15.074 4.363 1.472 1.00 23.12 C ATOM 220 O GLY A 24 -14.964 3.948 2.621 1.00 31.21 O ATOM 0 H GLY A 24 -14.803 3.865 -1.105 1.00 23.21 H new ATOM 0 HA2 GLY A 24 -12.982 4.161 1.170 1.00 22.31 H new ATOM 0 HA3 GLY A 24 -13.668 5.634 0.515 1.00 22.31 H new ATOM 224 N SER A 25 -16.248 4.639 0.917 1.00 22.43 N ATOM 225 CA SER A 25 -17.499 4.589 1.688 1.00 14.04 C ATOM 226 C SER A 25 -17.735 3.204 2.285 1.00 2.13 C ATOM 227 O SER A 25 -18.203 3.070 3.412 1.00 0.32 O ATOM 228 CB SER A 25 -18.666 4.927 0.784 1.00 42.45 C ATOM 229 OG SER A 25 -18.412 6.098 0.018 1.00 14.55 O ATOM 0 H SER A 25 -16.367 4.900 -0.062 1.00 22.43 H new ATOM 0 HA SER A 25 -17.416 5.312 2.500 1.00 14.04 H new ATOM 0 HB2 SER A 25 -18.863 4.089 0.115 1.00 42.45 H new ATOM 0 HB3 SER A 25 -19.563 5.072 1.386 1.00 42.45 H new ATOM 0 HG SER A 25 -18.690 5.949 -0.910 1.00 14.55 H new ATOM 235 N PHE A 26 -17.374 2.193 1.541 1.00 2.33 N ATOM 236 CA PHE A 26 -17.603 0.829 1.949 1.00 24.40 C ATOM 237 C PHE A 26 -16.300 0.079 2.062 1.00 54.43 C ATOM 238 O PHE A 26 -16.233 -1.107 1.778 1.00 44.53 O ATOM 239 CB PHE A 26 -18.510 0.150 0.937 1.00 33.50 C ATOM 240 CG PHE A 26 -19.849 0.797 0.814 1.00 54.05 C ATOM 241 CD1 PHE A 26 -20.642 0.980 1.933 1.00 21.43 C ATOM 242 CD2 PHE A 26 -20.307 1.249 -0.408 1.00 65.50 C ATOM 243 CE1 PHE A 26 -21.862 1.594 1.836 1.00 74.14 C ATOM 244 CE2 PHE A 26 -21.532 1.867 -0.512 1.00 31.13 C ATOM 245 CZ PHE A 26 -22.310 2.039 0.611 1.00 30.12 C ATOM 0 H PHE A 26 -16.913 2.289 0.636 1.00 2.33 H new ATOM 0 HA PHE A 26 -18.081 0.827 2.929 1.00 24.40 H new ATOM 0 HB2 PHE A 26 -18.022 0.154 -0.038 1.00 33.50 H new ATOM 0 HB3 PHE A 26 -18.644 -0.893 1.222 1.00 33.50 H new ATOM 0 HD1 PHE A 26 -20.294 0.634 2.895 1.00 21.43 H new ATOM 0 HD2 PHE A 26 -19.698 1.116 -1.290 1.00 65.50 H new ATOM 0 HE1 PHE A 26 -22.472 1.729 2.717 1.00 74.14 H new ATOM 0 HE2 PHE A 26 -21.882 2.216 -1.472 1.00 31.13 H new ATOM 0 HZ PHE A 26 -23.272 2.523 0.532 1.00 30.12 H new ATOM 255 N GLN A 27 -15.279 0.760 2.542 1.00 41.21 N ATOM 256 CA GLN A 27 -13.931 0.199 2.686 1.00 70.32 C ATOM 257 C GLN A 27 -13.875 -0.818 3.888 1.00 40.41 C ATOM 258 O GLN A 27 -12.806 -1.124 4.430 1.00 71.03 O ATOM 259 CB GLN A 27 -12.962 1.376 2.912 1.00 24.52 C ATOM 260 CG GLN A 27 -11.489 1.028 2.870 1.00 71.04 C ATOM 261 CD GLN A 27 -10.612 2.228 3.138 1.00 41.14 C ATOM 262 OE1 GLN A 27 -10.253 2.513 4.280 1.00 1.02 O ATOM 263 NE2 GLN A 27 -10.275 2.947 2.106 1.00 63.21 N ATOM 0 H GLN A 27 -15.352 1.730 2.849 1.00 41.21 H new ATOM 0 HA GLN A 27 -13.650 -0.354 1.790 1.00 70.32 H new ATOM 0 HB2 GLN A 27 -13.159 2.136 2.156 1.00 24.52 H new ATOM 0 HB3 GLN A 27 -13.183 1.825 3.880 1.00 24.52 H new ATOM 0 HG2 GLN A 27 -11.279 0.254 3.608 1.00 71.04 H new ATOM 0 HG3 GLN A 27 -11.243 0.611 1.893 1.00 71.04 H new ATOM 0 HE21 GLN A 27 -10.591 2.680 1.174 1.00 63.21 H new ATOM 0 HE22 GLN A 27 -9.695 3.777 2.230 1.00 63.21 H new ATOM 272 N ASP A 28 -15.013 -1.357 4.241 1.00 21.42 N ATOM 273 CA ASP A 28 -15.158 -2.260 5.350 1.00 42.31 C ATOM 274 C ASP A 28 -16.303 -3.227 5.067 1.00 31.44 C ATOM 275 O ASP A 28 -17.378 -2.802 4.684 1.00 33.51 O ATOM 276 CB ASP A 28 -15.444 -1.463 6.622 1.00 72.45 C ATOM 277 CG ASP A 28 -15.706 -2.339 7.803 1.00 13.22 C ATOM 278 OD1 ASP A 28 -14.735 -2.888 8.369 1.00 30.41 O ATOM 279 OD2 ASP A 28 -16.879 -2.479 8.187 1.00 3.31 O ATOM 0 H ASP A 28 -15.888 -1.174 3.750 1.00 21.42 H new ATOM 0 HA ASP A 28 -14.237 -2.827 5.487 1.00 42.31 H new ATOM 0 HB2 ASP A 28 -14.596 -0.813 6.837 1.00 72.45 H new ATOM 0 HB3 ASP A 28 -16.306 -0.817 6.455 1.00 72.45 H new ATOM 284 N PRO A 29 -16.087 -4.543 5.226 1.00 50.12 N ATOM 285 CA PRO A 29 -17.122 -5.543 4.954 1.00 32.41 C ATOM 286 C PRO A 29 -18.224 -5.573 6.015 1.00 71.04 C ATOM 287 O PRO A 29 -19.350 -5.977 5.738 1.00 74.03 O ATOM 288 CB PRO A 29 -16.359 -6.856 4.947 1.00 21.32 C ATOM 289 CG PRO A 29 -15.204 -6.618 5.838 1.00 31.10 C ATOM 290 CD PRO A 29 -14.820 -5.172 5.652 1.00 25.32 C ATOM 0 HA PRO A 29 -17.643 -5.328 4.021 1.00 32.41 H new ATOM 0 HB2 PRO A 29 -16.978 -7.677 5.310 1.00 21.32 H new ATOM 0 HB3 PRO A 29 -16.036 -7.122 3.941 1.00 21.32 H new ATOM 0 HG2 PRO A 29 -15.465 -6.821 6.877 1.00 31.10 H new ATOM 0 HG3 PRO A 29 -14.374 -7.277 5.584 1.00 31.10 H new ATOM 0 HD2 PRO A 29 -14.442 -4.733 6.575 1.00 25.32 H new ATOM 0 HD3 PRO A 29 -14.039 -5.055 4.901 1.00 25.32 H new ATOM 298 N ASP A 30 -17.907 -5.129 7.216 1.00 61.04 N ATOM 299 CA ASP A 30 -18.863 -5.154 8.311 1.00 41.23 C ATOM 300 C ASP A 30 -20.008 -4.173 8.060 1.00 32.41 C ATOM 301 O ASP A 30 -21.172 -4.475 8.341 1.00 12.22 O ATOM 302 CB ASP A 30 -18.172 -4.892 9.650 1.00 11.22 C ATOM 303 CG ASP A 30 -19.138 -4.826 10.806 1.00 73.12 C ATOM 304 OD1 ASP A 30 -19.558 -5.890 11.307 1.00 61.42 O ATOM 305 OD2 ASP A 30 -19.492 -3.701 11.229 1.00 13.24 O ATOM 0 H ASP A 30 -16.994 -4.746 7.460 1.00 61.04 H new ATOM 0 HA ASP A 30 -19.296 -6.153 8.361 1.00 41.23 H new ATOM 0 HB2 ASP A 30 -17.443 -5.680 9.837 1.00 11.22 H new ATOM 0 HB3 ASP A 30 -17.620 -3.954 9.591 1.00 11.22 H new ATOM 310 N VAL A 31 -19.684 -3.014 7.502 1.00 2.51 N ATOM 311 CA VAL A 31 -20.715 -2.042 7.138 1.00 13.41 C ATOM 312 C VAL A 31 -21.552 -2.576 5.949 1.00 74.01 C ATOM 313 O VAL A 31 -22.751 -2.276 5.822 1.00 43.23 O ATOM 314 CB VAL A 31 -20.147 -0.604 6.847 1.00 30.10 C ATOM 315 CG1 VAL A 31 -19.229 -0.577 5.644 1.00 4.01 C ATOM 316 CG2 VAL A 31 -21.268 0.418 6.700 1.00 53.10 C ATOM 0 H VAL A 31 -18.729 -2.723 7.292 1.00 2.51 H new ATOM 0 HA VAL A 31 -21.363 -1.925 8.006 1.00 13.41 H new ATOM 0 HB VAL A 31 -19.546 -0.327 7.713 1.00 30.10 H new ATOM 0 HG11 VAL A 31 -18.865 0.438 5.487 1.00 4.01 H new ATOM 0 HG12 VAL A 31 -18.384 -1.243 5.816 1.00 4.01 H new ATOM 0 HG13 VAL A 31 -19.777 -0.907 4.761 1.00 4.01 H new ATOM 0 HG21 VAL A 31 -20.841 1.401 6.500 1.00 53.10 H new ATOM 0 HG22 VAL A 31 -21.917 0.129 5.874 1.00 53.10 H new ATOM 0 HG23 VAL A 31 -21.849 0.456 7.622 1.00 53.10 H new ATOM 326 N ILE A 32 -20.914 -3.406 5.108 1.00 61.30 N ATOM 327 CA ILE A 32 -21.561 -4.027 3.957 1.00 25.23 C ATOM 328 C ILE A 32 -22.759 -4.874 4.413 1.00 14.25 C ATOM 329 O ILE A 32 -23.820 -4.866 3.773 1.00 64.31 O ATOM 330 CB ILE A 32 -20.541 -4.916 3.182 1.00 4.30 C ATOM 331 CG1 ILE A 32 -19.437 -4.070 2.562 1.00 42.11 C ATOM 332 CG2 ILE A 32 -21.206 -5.738 2.115 1.00 61.35 C ATOM 333 CD1 ILE A 32 -19.945 -3.076 1.544 1.00 0.04 C ATOM 0 H ILE A 32 -19.932 -3.661 5.214 1.00 61.30 H new ATOM 0 HA ILE A 32 -21.920 -3.241 3.292 1.00 25.23 H new ATOM 0 HB ILE A 32 -20.103 -5.597 3.912 1.00 4.30 H new ATOM 0 HG12 ILE A 32 -18.913 -3.534 3.353 1.00 42.11 H new ATOM 0 HG13 ILE A 32 -18.709 -4.727 2.086 1.00 42.11 H new ATOM 0 HG21 ILE A 32 -20.458 -6.341 1.601 1.00 61.35 H new ATOM 0 HG22 ILE A 32 -21.950 -6.392 2.570 1.00 61.35 H new ATOM 0 HG23 ILE A 32 -21.694 -5.078 1.398 1.00 61.35 H new ATOM 0 HD11 ILE A 32 -19.107 -2.507 1.142 1.00 0.04 H new ATOM 0 HD12 ILE A 32 -20.444 -3.608 0.734 1.00 0.04 H new ATOM 0 HD13 ILE A 32 -20.651 -2.396 2.021 1.00 0.04 H new ATOM 345 N ASN A 33 -22.595 -5.543 5.558 1.00 42.21 N ATOM 346 CA ASN A 33 -23.645 -6.397 6.143 1.00 64.12 C ATOM 347 C ASN A 33 -24.932 -5.618 6.295 1.00 32.20 C ATOM 348 O ASN A 33 -26.017 -6.094 5.969 1.00 1.42 O ATOM 349 CB ASN A 33 -23.259 -6.881 7.565 1.00 11.41 C ATOM 350 CG ASN A 33 -22.121 -7.892 7.679 1.00 54.15 C ATOM 351 OD1 ASN A 33 -22.109 -8.706 8.598 1.00 40.45 O ATOM 352 ND2 ASN A 33 -21.175 -7.857 6.808 1.00 55.51 N ATOM 0 H ASN A 33 -21.736 -5.511 6.107 1.00 42.21 H new ATOM 0 HA ASN A 33 -23.764 -7.246 5.470 1.00 64.12 H new ATOM 0 HB2 ASN A 33 -22.992 -6.006 8.158 1.00 11.41 H new ATOM 0 HB3 ASN A 33 -24.146 -7.319 8.024 1.00 11.41 H new ATOM 0 HD21 ASN A 33 -20.397 -8.513 6.874 1.00 55.51 H new ATOM 0 HD22 ASN A 33 -21.203 -7.173 6.052 1.00 55.51 H new ATOM 359 N VAL A 34 -24.788 -4.417 6.786 1.00 50.20 N ATOM 360 CA VAL A 34 -25.905 -3.572 7.116 1.00 22.23 C ATOM 361 C VAL A 34 -26.473 -2.820 5.907 1.00 73.53 C ATOM 362 O VAL A 34 -27.701 -2.729 5.749 1.00 54.25 O ATOM 363 CB VAL A 34 -25.521 -2.568 8.244 1.00 13.43 C ATOM 364 CG1 VAL A 34 -26.694 -1.685 8.641 1.00 42.32 C ATOM 365 CG2 VAL A 34 -24.968 -3.304 9.461 1.00 60.34 C ATOM 0 H VAL A 34 -23.880 -3.992 6.971 1.00 50.20 H new ATOM 0 HA VAL A 34 -26.694 -4.235 7.472 1.00 22.23 H new ATOM 0 HB VAL A 34 -24.741 -1.918 7.846 1.00 13.43 H new ATOM 0 HG11 VAL A 34 -26.383 -1.000 9.430 1.00 42.32 H new ATOM 0 HG12 VAL A 34 -27.029 -1.114 7.775 1.00 42.32 H new ATOM 0 HG13 VAL A 34 -27.512 -2.308 9.003 1.00 42.32 H new ATOM 0 HG21 VAL A 34 -24.707 -2.582 10.235 1.00 60.34 H new ATOM 0 HG22 VAL A 34 -25.722 -3.991 9.845 1.00 60.34 H new ATOM 0 HG23 VAL A 34 -24.079 -3.865 9.174 1.00 60.34 H new ATOM 375 N MET A 35 -25.595 -2.299 5.048 1.00 11.33 N ATOM 376 CA MET A 35 -26.033 -1.420 3.973 1.00 53.24 C ATOM 377 C MET A 35 -26.905 -2.176 2.960 1.00 74.45 C ATOM 378 O MET A 35 -27.904 -1.648 2.482 1.00 61.30 O ATOM 379 CB MET A 35 -24.806 -0.785 3.297 1.00 53.35 C ATOM 380 CG MET A 35 -25.075 0.487 2.478 1.00 42.44 C ATOM 381 SD MET A 35 -26.141 0.284 1.037 1.00 64.24 S ATOM 382 CE MET A 35 -25.134 -0.798 0.043 1.00 71.15 C ATOM 0 H MET A 35 -24.590 -2.470 5.078 1.00 11.33 H new ATOM 0 HA MET A 35 -26.650 -0.626 4.393 1.00 53.24 H new ATOM 0 HB2 MET A 35 -24.072 -0.549 4.068 1.00 53.35 H new ATOM 0 HB3 MET A 35 -24.352 -1.527 2.641 1.00 53.35 H new ATOM 0 HG2 MET A 35 -25.523 1.232 3.136 1.00 42.44 H new ATOM 0 HG3 MET A 35 -24.119 0.891 2.145 1.00 42.44 H new ATOM 0 HE1 MET A 35 -25.268 -0.554 -1.011 1.00 71.15 H new ATOM 0 HE2 MET A 35 -24.086 -0.671 0.315 1.00 71.15 H new ATOM 0 HE3 MET A 35 -25.431 -1.832 0.216 1.00 71.15 H new ATOM 392 N LEU A 36 -26.572 -3.420 2.684 1.00 23.33 N ATOM 393 CA LEU A 36 -27.397 -4.199 1.792 1.00 1.45 C ATOM 394 C LEU A 36 -27.998 -5.388 2.497 1.00 12.20 C ATOM 395 O LEU A 36 -29.215 -5.408 2.733 1.00 34.22 O ATOM 396 CB LEU A 36 -26.719 -4.586 0.434 1.00 71.45 C ATOM 397 CG LEU A 36 -25.341 -5.277 0.462 1.00 13.44 C ATOM 398 CD1 LEU A 36 -25.045 -5.894 -0.887 1.00 1.14 C ATOM 399 CD2 LEU A 36 -24.258 -4.267 0.754 1.00 1.32 C ATOM 0 H LEU A 36 -25.754 -3.903 3.056 1.00 23.33 H new ATOM 0 HA LEU A 36 -28.209 -3.534 1.499 1.00 1.45 H new ATOM 0 HB2 LEU A 36 -27.406 -5.241 -0.103 1.00 71.45 H new ATOM 0 HB3 LEU A 36 -26.620 -3.675 -0.157 1.00 71.45 H new ATOM 0 HG LEU A 36 -25.362 -6.044 1.236 1.00 13.44 H new ATOM 0 HD11 LEU A 36 -24.070 -6.380 -0.859 1.00 1.14 H new ATOM 0 HD12 LEU A 36 -25.811 -6.632 -1.126 1.00 1.14 H new ATOM 0 HD13 LEU A 36 -25.040 -5.116 -1.650 1.00 1.14 H new ATOM 0 HD21 LEU A 36 -23.289 -4.767 0.771 1.00 1.32 H new ATOM 0 HD22 LEU A 36 -24.257 -3.500 -0.021 1.00 1.32 H new ATOM 0 HD23 LEU A 36 -24.444 -3.803 1.723 1.00 1.32 H new ATOM 411 N ASP A 37 -27.148 -6.337 2.898 1.00 1.34 N ATOM 412 CA ASP A 37 -27.584 -7.583 3.553 1.00 72.35 C ATOM 413 C ASP A 37 -26.438 -8.553 3.597 1.00 24.42 C ATOM 414 O ASP A 37 -26.081 -9.070 4.652 1.00 12.25 O ATOM 415 CB ASP A 37 -28.735 -8.268 2.795 1.00 23.15 C ATOM 416 CG ASP A 37 -29.232 -9.510 3.498 1.00 24.40 C ATOM 417 OD1 ASP A 37 -30.022 -9.376 4.453 1.00 62.04 O ATOM 418 OD2 ASP A 37 -28.849 -10.637 3.113 1.00 72.33 O ATOM 0 H ASP A 37 -26.137 -6.268 2.780 1.00 1.34 H new ATOM 0 HA ASP A 37 -27.926 -7.313 4.552 1.00 72.35 H new ATOM 0 HB2 ASP A 37 -29.560 -7.565 2.680 1.00 23.15 H new ATOM 0 HB3 ASP A 37 -28.399 -8.532 1.792 1.00 23.15 H new ATOM 423 N ARG A 38 -25.850 -8.773 2.449 1.00 42.10 N ATOM 424 CA ARG A 38 -24.814 -9.769 2.305 1.00 72.35 C ATOM 425 C ARG A 38 -23.484 -9.091 2.117 1.00 3.44 C ATOM 426 O ARG A 38 -23.436 -7.901 1.812 1.00 23.53 O ATOM 427 CB ARG A 38 -25.108 -10.644 1.078 1.00 2.34 C ATOM 428 CG ARG A 38 -24.935 -9.930 -0.268 1.00 62.51 C ATOM 429 CD ARG A 38 -25.420 -10.790 -1.411 1.00 42.13 C ATOM 430 NE ARG A 38 -26.869 -10.947 -1.353 1.00 52.21 N ATOM 431 CZ ARG A 38 -27.542 -12.077 -1.577 1.00 52.24 C ATOM 432 NH1 ARG A 38 -26.903 -13.173 -1.974 1.00 54.20 N ATOM 433 NH2 ARG A 38 -28.859 -12.094 -1.443 1.00 61.11 N ATOM 0 H ARG A 38 -26.073 -8.270 1.590 1.00 42.10 H new ATOM 0 HA ARG A 38 -24.787 -10.389 3.201 1.00 72.35 H new ATOM 0 HB2 ARG A 38 -24.450 -11.513 1.101 1.00 2.34 H new ATOM 0 HB3 ARG A 38 -26.130 -11.016 1.149 1.00 2.34 H new ATOM 0 HG2 ARG A 38 -25.487 -8.990 -0.257 1.00 62.51 H new ATOM 0 HG3 ARG A 38 -23.884 -9.681 -0.418 1.00 62.51 H new ATOM 0 HD2 ARG A 38 -25.135 -10.337 -2.361 1.00 42.13 H new ATOM 0 HD3 ARG A 38 -24.940 -11.768 -1.367 1.00 42.13 H new ATOM 0 HE ARG A 38 -27.417 -10.119 -1.120 1.00 52.21 H new ATOM 0 HH11 ARG A 38 -25.892 -13.153 -2.109 1.00 54.20 H new ATOM 0 HH12 ARG A 38 -27.424 -14.034 -2.143 1.00 54.20 H new ATOM 0 HH21 ARG A 38 -29.355 -11.246 -1.170 1.00 61.11 H new ATOM 0 HH22 ARG A 38 -29.378 -12.956 -1.613 1.00 61.11 H new ATOM 447 N THR A 39 -22.424 -9.830 2.292 1.00 64.22 N ATOM 448 CA THR A 39 -21.116 -9.314 2.048 1.00 41.32 C ATOM 449 C THR A 39 -20.515 -10.060 0.865 1.00 21.13 C ATOM 450 O THR A 39 -20.187 -11.256 0.973 1.00 3.53 O ATOM 451 CB THR A 39 -20.211 -9.483 3.276 1.00 13.32 C ATOM 452 OG1 THR A 39 -20.925 -9.035 4.409 1.00 34.12 O ATOM 453 CG2 THR A 39 -18.949 -8.625 3.146 1.00 23.53 C ATOM 0 H THR A 39 -22.447 -10.800 2.606 1.00 64.22 H new ATOM 0 HA THR A 39 -21.191 -8.248 1.833 1.00 41.32 H new ATOM 0 HB THR A 39 -19.923 -10.531 3.364 1.00 13.32 H new ATOM 0 HG1 THR A 39 -21.017 -9.771 5.050 1.00 34.12 H new ATOM 0 HG21 THR A 39 -18.324 -8.762 4.028 1.00 23.53 H new ATOM 0 HG22 THR A 39 -18.394 -8.926 2.258 1.00 23.53 H new ATOM 0 HG23 THR A 39 -19.230 -7.575 3.060 1.00 23.53 H new ATOM 461 N PRO A 40 -20.441 -9.399 -0.299 1.00 63.45 N ATOM 462 CA PRO A 40 -19.836 -9.960 -1.506 1.00 32.00 C ATOM 463 C PRO A 40 -18.400 -10.433 -1.260 1.00 12.51 C ATOM 464 O PRO A 40 -17.711 -9.928 -0.356 1.00 42.34 O ATOM 465 CB PRO A 40 -19.842 -8.779 -2.483 1.00 45.40 C ATOM 466 CG PRO A 40 -20.972 -7.942 -2.034 1.00 43.45 C ATOM 467 CD PRO A 40 -20.960 -8.036 -0.542 1.00 64.42 C ATOM 0 HA PRO A 40 -20.375 -10.836 -1.867 1.00 32.00 H new ATOM 0 HB2 PRO A 40 -18.901 -8.229 -2.449 1.00 45.40 H new ATOM 0 HB3 PRO A 40 -19.978 -9.114 -3.511 1.00 45.40 H new ATOM 0 HG2 PRO A 40 -20.854 -6.910 -2.365 1.00 43.45 H new ATOM 0 HG3 PRO A 40 -21.916 -8.302 -2.444 1.00 43.45 H new ATOM 0 HD2 PRO A 40 -20.321 -7.275 -0.095 1.00 64.42 H new ATOM 0 HD3 PRO A 40 -21.957 -7.903 -0.121 1.00 64.42 H new ATOM 475 N GLU A 41 -17.982 -11.420 -2.018 1.00 64.43 N ATOM 476 CA GLU A 41 -16.639 -11.933 -1.948 1.00 5.11 C ATOM 477 C GLU A 41 -15.681 -10.831 -2.393 1.00 62.22 C ATOM 478 O GLU A 41 -15.869 -10.212 -3.444 1.00 13.42 O ATOM 479 CB GLU A 41 -16.517 -13.189 -2.815 1.00 1.41 C ATOM 480 CG GLU A 41 -15.138 -13.818 -2.837 1.00 1.21 C ATOM 481 CD GLU A 41 -15.125 -15.116 -3.596 1.00 45.33 C ATOM 482 OE1 GLU A 41 -15.280 -15.100 -4.827 1.00 1.02 O ATOM 483 OE2 GLU A 41 -14.997 -16.191 -2.960 1.00 54.44 O ATOM 0 H GLU A 41 -18.571 -11.891 -2.705 1.00 64.43 H new ATOM 0 HA GLU A 41 -16.385 -12.223 -0.928 1.00 5.11 H new ATOM 0 HB2 GLU A 41 -17.233 -13.930 -2.458 1.00 1.41 H new ATOM 0 HB3 GLU A 41 -16.802 -12.937 -3.836 1.00 1.41 H new ATOM 0 HG2 GLU A 41 -14.430 -13.125 -3.291 1.00 1.21 H new ATOM 0 HG3 GLU A 41 -14.802 -13.992 -1.815 1.00 1.21 H new ATOM 490 N ILE A 42 -14.694 -10.578 -1.592 1.00 43.54 N ATOM 491 CA ILE A 42 -13.818 -9.460 -1.806 1.00 31.22 C ATOM 492 C ILE A 42 -12.451 -9.946 -2.247 1.00 43.51 C ATOM 493 O ILE A 42 -11.920 -10.924 -1.708 1.00 72.51 O ATOM 494 CB ILE A 42 -13.657 -8.651 -0.491 1.00 24.13 C ATOM 495 CG1 ILE A 42 -15.023 -8.335 0.116 1.00 41.04 C ATOM 496 CG2 ILE A 42 -12.918 -7.364 -0.768 1.00 11.45 C ATOM 497 CD1 ILE A 42 -14.970 -7.597 1.447 1.00 11.43 C ATOM 0 H ILE A 42 -14.469 -11.138 -0.770 1.00 43.54 H new ATOM 0 HA ILE A 42 -14.252 -8.826 -2.580 1.00 31.22 H new ATOM 0 HB ILE A 42 -13.088 -9.253 0.218 1.00 24.13 H new ATOM 0 HG12 ILE A 42 -15.592 -7.735 -0.595 1.00 41.04 H new ATOM 0 HG13 ILE A 42 -15.569 -9.268 0.254 1.00 41.04 H new ATOM 0 HG21 ILE A 42 -12.808 -6.801 0.159 1.00 11.45 H new ATOM 0 HG22 ILE A 42 -11.932 -7.591 -1.174 1.00 11.45 H new ATOM 0 HG23 ILE A 42 -13.479 -6.770 -1.489 1.00 11.45 H new ATOM 0 HD11 ILE A 42 -15.984 -7.415 1.803 1.00 11.43 H new ATOM 0 HD12 ILE A 42 -14.432 -8.202 2.177 1.00 11.43 H new ATOM 0 HD13 ILE A 42 -14.455 -6.645 1.315 1.00 11.43 H new ATOM 509 N VAL A 43 -11.899 -9.289 -3.223 1.00 52.00 N ATOM 510 CA VAL A 43 -10.575 -9.598 -3.713 1.00 65.54 C ATOM 511 C VAL A 43 -9.747 -8.316 -3.805 1.00 31.34 C ATOM 512 O VAL A 43 -10.290 -7.248 -4.081 1.00 43.42 O ATOM 513 CB VAL A 43 -10.625 -10.302 -5.108 1.00 53.50 C ATOM 514 CG1 VAL A 43 -11.275 -9.411 -6.157 1.00 12.11 C ATOM 515 CG2 VAL A 43 -9.234 -10.725 -5.554 1.00 65.53 C ATOM 0 H VAL A 43 -12.353 -8.516 -3.710 1.00 52.00 H new ATOM 0 HA VAL A 43 -10.109 -10.288 -3.010 1.00 65.54 H new ATOM 0 HB VAL A 43 -11.239 -11.197 -5.002 1.00 53.50 H new ATOM 0 HG11 VAL A 43 -11.294 -9.931 -7.115 1.00 12.11 H new ATOM 0 HG12 VAL A 43 -12.295 -9.175 -5.852 1.00 12.11 H new ATOM 0 HG13 VAL A 43 -10.703 -8.488 -6.256 1.00 12.11 H new ATOM 0 HG21 VAL A 43 -9.296 -11.212 -6.527 1.00 65.53 H new ATOM 0 HG22 VAL A 43 -8.593 -9.847 -5.628 1.00 65.53 H new ATOM 0 HG23 VAL A 43 -8.814 -11.420 -4.827 1.00 65.53 H new ATOM 525 N SER A 44 -8.465 -8.413 -3.559 1.00 65.22 N ATOM 526 CA SER A 44 -7.589 -7.282 -3.693 1.00 4.14 C ATOM 527 C SER A 44 -7.321 -7.040 -5.181 1.00 63.52 C ATOM 528 O SER A 44 -6.933 -7.966 -5.913 1.00 31.21 O ATOM 529 CB SER A 44 -6.284 -7.561 -2.960 1.00 1.31 C ATOM 530 OG SER A 44 -6.521 -7.789 -1.571 1.00 32.03 O ATOM 0 H SER A 44 -8.004 -9.273 -3.262 1.00 65.22 H new ATOM 0 HA SER A 44 -8.050 -6.395 -3.259 1.00 4.14 H new ATOM 0 HB2 SER A 44 -5.795 -8.431 -3.398 1.00 1.31 H new ATOM 0 HB3 SER A 44 -5.605 -6.718 -3.084 1.00 1.31 H new ATOM 0 HG SER A 44 -5.670 -7.968 -1.119 1.00 32.03 H new ATOM 536 N ALA A 45 -7.562 -5.843 -5.627 1.00 22.22 N ATOM 537 CA ALA A 45 -7.373 -5.487 -7.005 1.00 63.31 C ATOM 538 C ALA A 45 -6.776 -4.108 -7.134 1.00 13.31 C ATOM 539 O ALA A 45 -6.899 -3.270 -6.250 1.00 50.54 O ATOM 540 CB ALA A 45 -8.685 -5.554 -7.746 1.00 14.23 C ATOM 0 H ALA A 45 -7.898 -5.079 -5.041 1.00 22.22 H new ATOM 0 HA ALA A 45 -6.677 -6.201 -7.445 1.00 63.31 H new ATOM 0 HB1 ALA A 45 -8.528 -5.282 -8.790 1.00 14.23 H new ATOM 0 HB2 ALA A 45 -9.082 -6.567 -7.691 1.00 14.23 H new ATOM 0 HB3 ALA A 45 -9.394 -4.861 -7.293 1.00 14.23 H new ATOM 546 N THR A 46 -6.141 -3.886 -8.222 1.00 15.03 N ATOM 547 CA THR A 46 -5.533 -2.638 -8.513 1.00 63.24 C ATOM 548 C THR A 46 -6.256 -1.998 -9.684 1.00 5.44 C ATOM 549 O THR A 46 -6.440 -2.629 -10.713 1.00 51.22 O ATOM 550 CB THR A 46 -4.050 -2.833 -8.870 1.00 20.41 C ATOM 551 OG1 THR A 46 -3.400 -3.527 -7.800 1.00 14.11 O ATOM 552 CG2 THR A 46 -3.357 -1.492 -9.088 1.00 23.31 C ATOM 0 H THR A 46 -6.025 -4.584 -8.957 1.00 15.03 H new ATOM 0 HA THR A 46 -5.598 -1.995 -7.635 1.00 63.24 H new ATOM 0 HB THR A 46 -3.988 -3.408 -9.794 1.00 20.41 H new ATOM 0 HG1 THR A 46 -2.454 -3.656 -8.021 1.00 14.11 H new ATOM 0 HG21 THR A 46 -2.310 -1.660 -9.339 1.00 23.31 H new ATOM 0 HG22 THR A 46 -3.845 -0.959 -9.904 1.00 23.31 H new ATOM 0 HG23 THR A 46 -3.421 -0.897 -8.177 1.00 23.31 H new ATOM 560 N LEU A 47 -6.683 -0.791 -9.502 1.00 73.24 N ATOM 561 CA LEU A 47 -7.337 -0.035 -10.532 1.00 74.52 C ATOM 562 C LEU A 47 -6.343 0.936 -11.160 1.00 43.20 C ATOM 563 O LEU A 47 -6.021 1.956 -10.567 1.00 63.21 O ATOM 564 CB LEU A 47 -8.546 0.718 -9.941 1.00 4.15 C ATOM 565 CG LEU A 47 -9.289 1.665 -10.879 1.00 61.23 C ATOM 566 CD1 LEU A 47 -9.775 0.948 -12.116 1.00 71.14 C ATOM 567 CD2 LEU A 47 -10.450 2.332 -10.165 1.00 51.34 C ATOM 0 H LEU A 47 -6.588 -0.289 -8.619 1.00 73.24 H new ATOM 0 HA LEU A 47 -7.701 -0.709 -11.308 1.00 74.52 H new ATOM 0 HB2 LEU A 47 -9.257 -0.019 -9.569 1.00 4.15 H new ATOM 0 HB3 LEU A 47 -8.202 1.292 -9.081 1.00 4.15 H new ATOM 0 HG LEU A 47 -8.584 2.435 -11.192 1.00 61.23 H new ATOM 0 HD11 LEU A 47 -10.300 1.652 -12.762 1.00 71.14 H new ATOM 0 HD12 LEU A 47 -8.923 0.529 -12.652 1.00 71.14 H new ATOM 0 HD13 LEU A 47 -10.453 0.145 -11.828 1.00 71.14 H new ATOM 0 HD21 LEU A 47 -10.964 3.002 -10.854 1.00 51.34 H new ATOM 0 HD22 LEU A 47 -11.146 1.571 -9.812 1.00 51.34 H new ATOM 0 HD23 LEU A 47 -10.075 2.903 -9.315 1.00 51.34 H new ATOM 579 N PRO A 48 -5.801 0.605 -12.335 1.00 22.33 N ATOM 580 CA PRO A 48 -4.856 1.461 -13.022 1.00 1.11 C ATOM 581 C PRO A 48 -5.562 2.490 -13.913 1.00 51.30 C ATOM 582 O PRO A 48 -6.619 2.200 -14.504 1.00 71.03 O ATOM 583 CB PRO A 48 -4.043 0.470 -13.860 1.00 13.24 C ATOM 584 CG PRO A 48 -4.988 -0.654 -14.162 1.00 11.23 C ATOM 585 CD PRO A 48 -6.055 -0.643 -13.087 1.00 62.41 C ATOM 0 HA PRO A 48 -4.248 2.054 -12.339 1.00 1.11 H new ATOM 0 HB2 PRO A 48 -3.678 0.935 -14.776 1.00 13.24 H new ATOM 0 HB3 PRO A 48 -3.170 0.115 -13.313 1.00 13.24 H new ATOM 0 HG2 PRO A 48 -5.434 -0.527 -15.148 1.00 11.23 H new ATOM 0 HG3 PRO A 48 -4.461 -1.608 -14.171 1.00 11.23 H new ATOM 0 HD2 PRO A 48 -7.056 -0.651 -13.519 1.00 62.41 H new ATOM 0 HD3 PRO A 48 -5.980 -1.519 -12.442 1.00 62.41 H new ATOM 593 N GLY A 49 -5.003 3.677 -13.990 1.00 65.54 N ATOM 594 CA GLY A 49 -5.587 4.721 -14.802 1.00 11.42 C ATOM 595 C GLY A 49 -6.490 5.605 -13.986 1.00 43.24 C ATOM 596 O GLY A 49 -7.155 6.505 -14.513 1.00 2.15 O ATOM 0 H GLY A 49 -4.148 3.943 -13.502 1.00 65.54 H new ATOM 0 HA2 GLY A 49 -4.796 5.321 -15.251 1.00 11.42 H new ATOM 0 HA3 GLY A 49 -6.153 4.275 -15.620 1.00 11.42 H new ATOM 600 N PHE A 50 -6.502 5.365 -12.699 1.00 11.30 N ATOM 601 CA PHE A 50 -7.326 6.074 -11.768 1.00 74.05 C ATOM 602 C PHE A 50 -6.558 6.222 -10.510 1.00 55.33 C ATOM 603 O PHE A 50 -5.715 5.402 -10.215 1.00 23.24 O ATOM 604 CB PHE A 50 -8.651 5.336 -11.491 1.00 11.10 C ATOM 605 CG PHE A 50 -9.595 5.277 -12.665 1.00 50.12 C ATOM 606 CD1 PHE A 50 -9.481 4.288 -13.629 1.00 63.52 C ATOM 607 CD2 PHE A 50 -10.590 6.224 -12.804 1.00 71.01 C ATOM 608 CE1 PHE A 50 -10.341 4.253 -14.705 1.00 41.13 C ATOM 609 CE2 PHE A 50 -11.451 6.198 -13.878 1.00 14.53 C ATOM 610 CZ PHE A 50 -11.329 5.212 -14.830 1.00 73.43 C ATOM 0 H PHE A 50 -5.920 4.649 -12.263 1.00 11.30 H new ATOM 0 HA PHE A 50 -7.587 7.045 -12.188 1.00 74.05 H new ATOM 0 HB2 PHE A 50 -8.425 4.318 -11.172 1.00 11.10 H new ATOM 0 HB3 PHE A 50 -9.157 5.826 -10.659 1.00 11.10 H new ATOM 0 HD1 PHE A 50 -8.710 3.537 -13.536 1.00 63.52 H new ATOM 0 HD2 PHE A 50 -10.695 6.998 -12.058 1.00 71.01 H new ATOM 0 HE1 PHE A 50 -10.243 3.477 -15.450 1.00 41.13 H new ATOM 0 HE2 PHE A 50 -12.220 6.950 -13.973 1.00 14.53 H new ATOM 0 HZ PHE A 50 -12.004 5.187 -15.673 1.00 73.43 H new ATOM 620 N GLN A 51 -6.836 7.233 -9.778 1.00 13.55 N ATOM 621 CA GLN A 51 -6.129 7.478 -8.567 1.00 61.51 C ATOM 622 C GLN A 51 -7.097 7.940 -7.536 1.00 55.03 C ATOM 623 O GLN A 51 -8.102 8.594 -7.861 1.00 31.53 O ATOM 624 CB GLN A 51 -5.023 8.519 -8.796 1.00 55.13 C ATOM 625 CG GLN A 51 -4.194 8.853 -7.567 1.00 22.23 C ATOM 626 CD GLN A 51 -3.068 9.817 -7.858 1.00 53.31 C ATOM 627 OE1 GLN A 51 -3.159 10.666 -8.759 1.00 33.00 O ATOM 628 NE2 GLN A 51 -1.990 9.689 -7.123 1.00 24.11 N ATOM 0 H GLN A 51 -7.559 7.918 -9.996 1.00 13.55 H new ATOM 0 HA GLN A 51 -5.649 6.562 -8.223 1.00 61.51 H new ATOM 0 HB2 GLN A 51 -4.357 8.154 -9.577 1.00 55.13 H new ATOM 0 HB3 GLN A 51 -5.479 9.436 -9.169 1.00 55.13 H new ATOM 0 HG2 GLN A 51 -4.843 9.281 -6.803 1.00 22.23 H new ATOM 0 HG3 GLN A 51 -3.780 7.933 -7.154 1.00 22.23 H new ATOM 0 HE21 GLN A 51 -1.953 8.979 -6.392 1.00 24.11 H new ATOM 0 HE22 GLN A 51 -1.188 10.299 -7.283 1.00 24.11 H new ATOM 637 N ARG A 52 -6.843 7.565 -6.320 1.00 30.54 N ATOM 638 CA ARG A 52 -7.679 7.951 -5.248 1.00 74.52 C ATOM 639 C ARG A 52 -7.184 9.234 -4.665 1.00 72.31 C ATOM 640 O ARG A 52 -5.986 9.401 -4.394 1.00 4.31 O ATOM 641 CB ARG A 52 -7.797 6.848 -4.170 1.00 13.41 C ATOM 642 CG ARG A 52 -6.472 6.358 -3.605 1.00 53.30 C ATOM 643 CD ARG A 52 -6.673 5.318 -2.517 1.00 23.40 C ATOM 644 NE ARG A 52 -5.392 4.767 -2.048 1.00 53.32 N ATOM 645 CZ ARG A 52 -5.238 3.963 -0.979 1.00 31.50 C ATOM 646 NH1 ARG A 52 -6.281 3.622 -0.236 1.00 40.23 N ATOM 647 NH2 ARG A 52 -4.039 3.508 -0.668 1.00 11.23 N ATOM 0 H ARG A 52 -6.049 6.983 -6.053 1.00 30.54 H new ATOM 0 HA ARG A 52 -8.685 8.102 -5.639 1.00 74.52 H new ATOM 0 HB2 ARG A 52 -8.407 7.226 -3.350 1.00 13.41 H new ATOM 0 HB3 ARG A 52 -8.329 5.998 -4.598 1.00 13.41 H new ATOM 0 HG2 ARG A 52 -5.870 5.933 -4.408 1.00 53.30 H new ATOM 0 HG3 ARG A 52 -5.914 7.203 -3.201 1.00 53.30 H new ATOM 0 HD2 ARG A 52 -7.205 5.767 -1.678 1.00 23.40 H new ATOM 0 HD3 ARG A 52 -7.299 4.511 -2.896 1.00 23.40 H new ATOM 0 HE ARG A 52 -4.554 5.014 -2.575 1.00 53.32 H new ATOM 0 HH11 ARG A 52 -7.211 3.969 -0.472 1.00 40.23 H new ATOM 0 HH12 ARG A 52 -6.154 3.012 0.572 1.00 40.23 H new ATOM 0 HH21 ARG A 52 -3.232 3.766 -1.237 1.00 11.23 H new ATOM 0 HH22 ARG A 52 -3.919 2.899 0.141 1.00 11.23 H new ATOM 661 N PHE A 53 -8.073 10.129 -4.479 1.00 44.44 N ATOM 662 CA PHE A 53 -7.756 11.361 -3.895 1.00 33.10 C ATOM 663 C PHE A 53 -8.309 11.356 -2.528 1.00 53.42 C ATOM 664 O PHE A 53 -9.445 10.990 -2.300 1.00 23.10 O ATOM 665 CB PHE A 53 -8.270 12.529 -4.735 1.00 52.22 C ATOM 666 CG PHE A 53 -7.396 12.876 -5.924 1.00 4.52 C ATOM 667 CD1 PHE A 53 -6.915 11.901 -6.790 1.00 55.12 C ATOM 668 CD2 PHE A 53 -7.059 14.192 -6.164 1.00 50.14 C ATOM 669 CE1 PHE A 53 -6.116 12.242 -7.864 1.00 5.11 C ATOM 670 CE2 PHE A 53 -6.266 14.539 -7.232 1.00 24.10 C ATOM 671 CZ PHE A 53 -5.791 13.563 -8.084 1.00 72.21 C ATOM 0 H PHE A 53 -9.055 10.021 -4.733 1.00 44.44 H new ATOM 0 HA PHE A 53 -6.676 11.498 -3.849 1.00 33.10 H new ATOM 0 HB2 PHE A 53 -9.272 12.291 -5.093 1.00 52.22 H new ATOM 0 HB3 PHE A 53 -8.360 13.408 -4.097 1.00 52.22 H new ATOM 0 HD1 PHE A 53 -7.169 10.865 -6.621 1.00 55.12 H new ATOM 0 HD2 PHE A 53 -7.424 14.963 -5.502 1.00 50.14 H new ATOM 0 HE1 PHE A 53 -5.747 11.475 -8.529 1.00 5.11 H new ATOM 0 HE2 PHE A 53 -6.015 15.575 -7.404 1.00 24.10 H new ATOM 0 HZ PHE A 53 -5.166 13.834 -8.922 1.00 72.21 H new ATOM 681 N ARG A 54 -7.501 11.770 -1.636 1.00 21.42 N ATOM 682 CA ARG A 54 -7.738 11.596 -0.248 1.00 23.45 C ATOM 683 C ARG A 54 -7.838 12.891 0.504 1.00 73.05 C ATOM 684 O ARG A 54 -7.449 13.956 -0.004 1.00 53.31 O ATOM 685 CB ARG A 54 -6.675 10.646 0.306 1.00 31.04 C ATOM 686 CG ARG A 54 -5.296 10.924 -0.269 1.00 12.34 C ATOM 687 CD ARG A 54 -4.259 9.957 0.221 1.00 2.44 C ATOM 688 NE ARG A 54 -2.954 10.186 -0.423 1.00 25.23 N ATOM 689 CZ ARG A 54 -1.872 9.404 -0.308 1.00 41.42 C ATOM 690 NH1 ARG A 54 -1.907 8.297 0.436 1.00 24.21 N ATOM 691 NH2 ARG A 54 -0.754 9.734 -0.947 1.00 21.33 N ATOM 0 H ARG A 54 -6.629 12.254 -1.849 1.00 21.42 H new ATOM 0 HA ARG A 54 -8.721 11.146 -0.106 1.00 23.45 H new ATOM 0 HB2 ARG A 54 -6.639 10.738 1.391 1.00 31.04 H new ATOM 0 HB3 ARG A 54 -6.959 9.617 0.083 1.00 31.04 H new ATOM 0 HG2 ARG A 54 -5.344 10.878 -1.357 1.00 12.34 H new ATOM 0 HG3 ARG A 54 -4.995 11.938 -0.006 1.00 12.34 H new ATOM 0 HD2 ARG A 54 -4.154 10.053 1.302 1.00 2.44 H new ATOM 0 HD3 ARG A 54 -4.589 8.937 0.022 1.00 2.44 H new ATOM 0 HE ARG A 54 -2.866 11.016 -1.010 1.00 25.23 H new ATOM 0 HH11 ARG A 54 -2.764 8.038 0.925 1.00 24.21 H new ATOM 0 HH12 ARG A 54 -1.077 7.710 0.516 1.00 24.21 H new ATOM 0 HH21 ARG A 54 -0.724 10.577 -1.520 1.00 21.33 H new ATOM 0 HH22 ARG A 54 0.074 9.144 -0.864 1.00 21.33 H new ATOM 796 N TYR A 60 -13.918 12.625 1.224 1.00 74.54 N ATOM 797 CA TYR A 60 -13.452 11.282 1.467 1.00 20.42 C ATOM 798 C TYR A 60 -12.546 10.837 0.324 1.00 65.41 C ATOM 799 O TYR A 60 -12.461 11.535 -0.697 1.00 10.42 O ATOM 800 CB TYR A 60 -14.680 10.358 1.567 1.00 1.43 C ATOM 801 CG TYR A 60 -15.707 10.839 2.572 1.00 64.11 C ATOM 802 CD1 TYR A 60 -15.611 10.514 3.919 1.00 30.43 C ATOM 803 CD2 TYR A 60 -16.767 11.635 2.165 1.00 15.42 C ATOM 804 CE1 TYR A 60 -16.550 10.971 4.827 1.00 1.04 C ATOM 805 CE2 TYR A 60 -17.698 12.095 3.063 1.00 75.34 C ATOM 806 CZ TYR A 60 -17.593 11.764 4.388 1.00 4.31 C ATOM 807 OH TYR A 60 -18.534 12.237 5.285 1.00 63.30 O ATOM 0 HA TYR A 60 -12.880 11.239 2.394 1.00 20.42 H new ATOM 0 HB2 TYR A 60 -15.149 10.280 0.586 1.00 1.43 H new ATOM 0 HB3 TYR A 60 -14.352 9.356 1.844 1.00 1.43 H new ATOM 0 HD1 TYR A 60 -14.794 9.897 4.262 1.00 30.43 H new ATOM 0 HD2 TYR A 60 -16.862 11.898 1.122 1.00 15.42 H new ATOM 0 HE1 TYR A 60 -16.468 10.710 5.872 1.00 1.04 H new ATOM 0 HE2 TYR A 60 -18.513 12.718 2.725 1.00 75.34 H new ATOM 0 HH TYR A 60 -19.197 12.779 4.808 1.00 63.30 H new ATOM 817 N PRO A 61 -11.816 9.700 0.485 1.00 1.21 N ATOM 818 CA PRO A 61 -11.000 9.143 -0.589 1.00 21.13 C ATOM 819 C PRO A 61 -11.865 8.758 -1.781 1.00 24.42 C ATOM 820 O PRO A 61 -12.583 7.766 -1.745 1.00 20.30 O ATOM 821 CB PRO A 61 -10.346 7.903 0.035 1.00 62.31 C ATOM 822 CG PRO A 61 -10.442 8.134 1.503 1.00 31.33 C ATOM 823 CD PRO A 61 -11.715 8.889 1.712 1.00 21.24 C ATOM 0 HA PRO A 61 -10.265 9.855 -0.966 1.00 21.13 H new ATOM 0 HB2 PRO A 61 -10.864 6.990 -0.258 1.00 62.31 H new ATOM 0 HB3 PRO A 61 -9.309 7.797 -0.284 1.00 62.31 H new ATOM 0 HG2 PRO A 61 -10.453 7.190 2.048 1.00 31.33 H new ATOM 0 HG3 PRO A 61 -9.586 8.702 1.867 1.00 31.33 H new ATOM 0 HD2 PRO A 61 -12.568 8.220 1.827 1.00 21.24 H new ATOM 0 HD3 PRO A 61 -11.675 9.511 2.606 1.00 21.24 H new ATOM 831 N CYS A 62 -11.813 9.571 -2.791 1.00 51.22 N ATOM 832 CA CYS A 62 -12.611 9.416 -3.966 1.00 15.21 C ATOM 833 C CYS A 62 -11.739 9.037 -5.158 1.00 54.12 C ATOM 834 O CYS A 62 -10.558 9.363 -5.195 1.00 72.40 O ATOM 835 CB CYS A 62 -13.367 10.728 -4.212 1.00 34.31 C ATOM 836 SG CYS A 62 -12.311 12.192 -4.253 1.00 33.24 S ATOM 0 H CYS A 62 -11.197 10.383 -2.820 1.00 51.22 H new ATOM 0 HA CYS A 62 -13.331 8.609 -3.831 1.00 15.21 H new ATOM 0 HB2 CYS A 62 -13.903 10.654 -5.158 1.00 34.31 H new ATOM 0 HB3 CYS A 62 -14.116 10.855 -3.430 1.00 34.31 H new ATOM 0 HG CYS A 62 -12.190 12.674 -3.052 1.00 33.24 H new ATOM 842 N ILE A 63 -12.306 8.328 -6.105 1.00 41.15 N ATOM 843 CA ILE A 63 -11.567 7.899 -7.282 1.00 54.35 C ATOM 844 C ILE A 63 -11.768 8.904 -8.396 1.00 23.15 C ATOM 845 O ILE A 63 -12.857 9.426 -8.552 1.00 51.23 O ATOM 846 CB ILE A 63 -12.071 6.504 -7.785 1.00 1.21 C ATOM 847 CG1 ILE A 63 -11.936 5.440 -6.697 1.00 23.15 C ATOM 848 CG2 ILE A 63 -11.340 6.061 -9.053 1.00 21.14 C ATOM 849 CD1 ILE A 63 -10.514 5.199 -6.230 1.00 50.31 C ATOM 0 H ILE A 63 -13.282 8.032 -6.088 1.00 41.15 H new ATOM 0 HA ILE A 63 -10.514 7.824 -7.011 1.00 54.35 H new ATOM 0 HB ILE A 63 -13.128 6.618 -8.028 1.00 1.21 H new ATOM 0 HG12 ILE A 63 -12.542 5.735 -5.840 1.00 23.15 H new ATOM 0 HG13 ILE A 63 -12.347 4.502 -7.070 1.00 23.15 H new ATOM 0 HG21 ILE A 63 -11.718 5.089 -9.370 1.00 21.14 H new ATOM 0 HG22 ILE A 63 -11.508 6.792 -9.844 1.00 21.14 H new ATOM 0 HG23 ILE A 63 -10.272 5.986 -8.850 1.00 21.14 H new ATOM 0 HD11 ILE A 63 -10.510 4.430 -5.458 1.00 50.31 H new ATOM 0 HD12 ILE A 63 -9.905 4.871 -7.072 1.00 50.31 H new ATOM 0 HD13 ILE A 63 -10.103 6.123 -5.823 1.00 50.31 H new ATOM 861 N VAL A 64 -10.723 9.205 -9.122 1.00 22.53 N ATOM 862 CA VAL A 64 -10.820 10.022 -10.326 1.00 72.33 C ATOM 863 C VAL A 64 -9.840 9.462 -11.355 1.00 43.42 C ATOM 864 O VAL A 64 -8.833 8.839 -10.977 1.00 50.34 O ATOM 865 CB VAL A 64 -10.493 11.546 -10.089 1.00 51.42 C ATOM 866 CG1 VAL A 64 -11.459 12.203 -9.122 1.00 22.12 C ATOM 867 CG2 VAL A 64 -9.064 11.736 -9.623 1.00 24.41 C ATOM 0 H VAL A 64 -9.776 8.896 -8.904 1.00 22.53 H new ATOM 0 HA VAL A 64 -11.854 9.977 -10.667 1.00 72.33 H new ATOM 0 HB VAL A 64 -10.613 12.041 -11.053 1.00 51.42 H new ATOM 0 HG11 VAL A 64 -11.189 13.251 -8.994 1.00 22.12 H new ATOM 0 HG12 VAL A 64 -12.472 12.135 -9.517 1.00 22.12 H new ATOM 0 HG13 VAL A 64 -11.411 11.696 -8.158 1.00 22.12 H new ATOM 0 HG21 VAL A 64 -8.870 12.797 -9.469 1.00 24.41 H new ATOM 0 HG22 VAL A 64 -8.912 11.199 -8.687 1.00 24.41 H new ATOM 0 HG23 VAL A 64 -8.380 11.348 -10.378 1.00 24.41 H new ATOM 877 N PRO A 65 -10.123 9.622 -12.647 1.00 5.43 N ATOM 878 CA PRO A 65 -9.233 9.164 -13.708 1.00 63.41 C ATOM 879 C PRO A 65 -7.915 9.937 -13.744 1.00 30.13 C ATOM 880 O PRO A 65 -7.860 11.110 -14.126 1.00 62.21 O ATOM 881 CB PRO A 65 -10.034 9.390 -14.991 1.00 41.11 C ATOM 882 CG PRO A 65 -11.034 10.424 -14.627 1.00 53.42 C ATOM 883 CD PRO A 65 -11.349 10.224 -13.181 1.00 11.30 C ATOM 0 HA PRO A 65 -8.941 8.124 -13.563 1.00 63.41 H new ATOM 0 HB2 PRO A 65 -9.393 9.727 -15.805 1.00 41.11 H new ATOM 0 HB3 PRO A 65 -10.516 8.471 -15.325 1.00 41.11 H new ATOM 0 HG2 PRO A 65 -10.638 11.424 -14.802 1.00 53.42 H new ATOM 0 HG3 PRO A 65 -11.932 10.325 -15.236 1.00 53.42 H new ATOM 0 HD2 PRO A 65 -11.582 11.167 -12.686 1.00 11.30 H new ATOM 0 HD3 PRO A 65 -12.210 9.570 -13.044 1.00 11.30 H new ATOM 891 N SER A 66 -6.894 9.296 -13.279 1.00 42.31 N ATOM 892 CA SER A 66 -5.569 9.809 -13.290 1.00 75.31 C ATOM 893 C SER A 66 -4.725 8.777 -13.994 1.00 10.43 C ATOM 894 O SER A 66 -4.409 7.739 -13.418 1.00 70.32 O ATOM 895 CB SER A 66 -5.085 10.039 -11.848 1.00 64.51 C ATOM 896 OG SER A 66 -3.792 10.629 -11.785 1.00 51.42 O ATOM 0 H SER A 66 -6.965 8.366 -12.866 1.00 42.31 H new ATOM 0 HA SER A 66 -5.507 10.769 -13.802 1.00 75.31 H new ATOM 0 HB2 SER A 66 -5.797 10.681 -11.329 1.00 64.51 H new ATOM 0 HB3 SER A 66 -5.070 9.086 -11.319 1.00 64.51 H new ATOM 0 HG SER A 66 -3.721 11.176 -10.975 1.00 51.42 H new ATOM 902 N GLU A 67 -4.407 9.037 -15.240 1.00 23.53 N ATOM 903 CA GLU A 67 -3.696 8.085 -16.105 1.00 40.43 C ATOM 904 C GLU A 67 -2.381 7.608 -15.501 1.00 53.14 C ATOM 905 O GLU A 67 -1.980 6.452 -15.680 1.00 53.43 O ATOM 906 CB GLU A 67 -3.443 8.678 -17.498 1.00 63.13 C ATOM 907 CG GLU A 67 -4.694 8.979 -18.334 1.00 45.10 C ATOM 908 CD GLU A 67 -5.613 10.030 -17.740 1.00 64.20 C ATOM 909 OE1 GLU A 67 -5.291 11.230 -17.827 1.00 4.53 O ATOM 910 OE2 GLU A 67 -6.659 9.671 -17.173 1.00 1.11 O ATOM 0 H GLU A 67 -4.630 9.920 -15.700 1.00 23.53 H new ATOM 0 HA GLU A 67 -4.350 7.218 -16.198 1.00 40.43 H new ATOM 0 HB2 GLU A 67 -2.876 9.602 -17.381 1.00 63.13 H new ATOM 0 HB3 GLU A 67 -2.813 7.986 -18.057 1.00 63.13 H new ATOM 0 HG2 GLU A 67 -4.382 9.307 -19.326 1.00 45.10 H new ATOM 0 HG3 GLU A 67 -5.258 8.055 -18.466 1.00 45.10 H new ATOM 917 N LYS A 68 -1.739 8.485 -14.765 1.00 73.14 N ATOM 918 CA LYS A 68 -0.466 8.192 -14.158 1.00 24.51 C ATOM 919 C LYS A 68 -0.630 7.568 -12.772 1.00 65.03 C ATOM 920 O LYS A 68 0.353 7.326 -12.070 1.00 35.24 O ATOM 921 CB LYS A 68 0.375 9.461 -14.081 1.00 72.12 C ATOM 922 CG LYS A 68 0.641 10.071 -15.401 1.00 22.13 C ATOM 923 CD LYS A 68 1.500 11.282 -15.248 1.00 50.31 C ATOM 924 CE LYS A 68 1.807 11.829 -16.584 1.00 64.31 C ATOM 925 NZ LYS A 68 2.655 13.036 -16.533 1.00 53.42 N ATOM 0 H LYS A 68 -2.088 9.424 -14.571 1.00 73.14 H new ATOM 0 HA LYS A 68 0.046 7.460 -14.783 1.00 24.51 H new ATOM 0 HB2 LYS A 68 -0.135 10.188 -13.449 1.00 72.12 H new ATOM 0 HB3 LYS A 68 1.324 9.230 -13.598 1.00 72.12 H new ATOM 0 HG2 LYS A 68 1.133 9.348 -16.051 1.00 22.13 H new ATOM 0 HG3 LYS A 68 -0.300 10.342 -15.880 1.00 22.13 H new ATOM 0 HD2 LYS A 68 0.989 12.031 -14.643 1.00 50.31 H new ATOM 0 HD3 LYS A 68 2.422 11.026 -14.726 1.00 50.31 H new ATOM 0 HE2 LYS A 68 2.309 11.064 -17.177 1.00 64.31 H new ATOM 0 HE3 LYS A 68 0.875 12.068 -17.095 1.00 64.31 H new ATOM 0 HZ1 LYS A 68 2.837 13.374 -17.500 1.00 53.42 H new ATOM 0 HZ2 LYS A 68 2.169 13.779 -15.992 1.00 53.42 H new ATOM 0 HZ3 LYS A 68 3.558 12.806 -16.071 1.00 53.42 H new ATOM 939 N GLY A 69 -1.852 7.289 -12.383 1.00 71.22 N ATOM 940 CA GLY A 69 -2.085 6.708 -11.091 1.00 13.32 C ATOM 941 C GLY A 69 -2.720 5.333 -11.155 1.00 33.04 C ATOM 942 O GLY A 69 -3.130 4.865 -12.232 1.00 25.41 O ATOM 0 H GLY A 69 -2.690 7.455 -12.940 1.00 71.22 H new ATOM 0 HA2 GLY A 69 -1.138 6.638 -10.556 1.00 13.32 H new ATOM 0 HA3 GLY A 69 -2.729 7.371 -10.513 1.00 13.32 H new ATOM 946 N GLU A 70 -2.793 4.705 -10.010 1.00 43.11 N ATOM 947 CA GLU A 70 -3.384 3.408 -9.822 1.00 13.10 C ATOM 948 C GLU A 70 -3.818 3.296 -8.367 1.00 3.44 C ATOM 949 O GLU A 70 -3.211 3.913 -7.485 1.00 53.02 O ATOM 950 CB GLU A 70 -2.423 2.247 -10.196 1.00 12.40 C ATOM 951 CG GLU A 70 -1.149 2.103 -9.340 1.00 21.22 C ATOM 952 CD GLU A 70 -0.214 3.287 -9.430 1.00 72.12 C ATOM 953 OE1 GLU A 70 0.566 3.367 -10.398 1.00 4.40 O ATOM 954 OE2 GLU A 70 -0.235 4.145 -8.532 1.00 64.21 O ATOM 0 H GLU A 70 -2.425 5.103 -9.146 1.00 43.11 H new ATOM 0 HA GLU A 70 -4.239 3.315 -10.492 1.00 13.10 H new ATOM 0 HB2 GLU A 70 -2.980 1.312 -10.138 1.00 12.40 H new ATOM 0 HB3 GLU A 70 -2.122 2.375 -11.236 1.00 12.40 H new ATOM 0 HG2 GLU A 70 -1.437 1.958 -8.299 1.00 21.22 H new ATOM 0 HG3 GLU A 70 -0.614 1.206 -9.650 1.00 21.22 H new ATOM 961 N VAL A 71 -4.857 2.556 -8.116 1.00 41.02 N ATOM 962 CA VAL A 71 -5.379 2.412 -6.775 1.00 3.05 C ATOM 963 C VAL A 71 -5.409 0.959 -6.389 1.00 13.12 C ATOM 964 O VAL A 71 -5.983 0.144 -7.097 1.00 33.05 O ATOM 965 CB VAL A 71 -6.831 2.950 -6.675 1.00 3.04 C ATOM 966 CG1 VAL A 71 -7.339 2.882 -5.243 1.00 32.44 C ATOM 967 CG2 VAL A 71 -6.933 4.352 -7.212 1.00 60.22 C ATOM 0 H VAL A 71 -5.370 2.034 -8.827 1.00 41.02 H new ATOM 0 HA VAL A 71 -4.728 2.981 -6.112 1.00 3.05 H new ATOM 0 HB VAL A 71 -7.463 2.310 -7.291 1.00 3.04 H new ATOM 0 HG11 VAL A 71 -8.359 3.265 -5.200 1.00 32.44 H new ATOM 0 HG12 VAL A 71 -7.325 1.847 -4.901 1.00 32.44 H new ATOM 0 HG13 VAL A 71 -6.698 3.485 -4.600 1.00 32.44 H new ATOM 0 HG21 VAL A 71 -7.963 4.700 -7.128 1.00 60.22 H new ATOM 0 HG22 VAL A 71 -6.280 5.010 -6.639 1.00 60.22 H new ATOM 0 HG23 VAL A 71 -6.631 4.363 -8.259 1.00 60.22 H new ATOM 977 N HIS A 72 -4.792 0.622 -5.301 1.00 65.14 N ATOM 978 CA HIS A 72 -4.892 -0.724 -4.803 1.00 35.13 C ATOM 979 C HIS A 72 -6.026 -0.761 -3.819 1.00 3.11 C ATOM 980 O HIS A 72 -5.969 -0.128 -2.762 1.00 41.30 O ATOM 981 CB HIS A 72 -3.584 -1.195 -4.143 1.00 0.10 C ATOM 982 CG HIS A 72 -2.424 -1.305 -5.086 1.00 61.40 C ATOM 983 ND1 HIS A 72 -1.793 -2.498 -5.376 1.00 54.23 N ATOM 984 CD2 HIS A 72 -1.766 -0.355 -5.803 1.00 25.25 C ATOM 985 CE1 HIS A 72 -0.807 -2.274 -6.225 1.00 54.43 C ATOM 986 NE2 HIS A 72 -0.775 -0.986 -6.497 1.00 3.25 N ATOM 0 H HIS A 72 -4.217 1.250 -4.740 1.00 65.14 H new ATOM 0 HA HIS A 72 -5.077 -1.405 -5.634 1.00 35.13 H new ATOM 0 HB2 HIS A 72 -3.323 -0.501 -3.344 1.00 0.10 H new ATOM 0 HB3 HIS A 72 -3.754 -2.167 -3.679 1.00 0.10 H new ATOM 0 HD1 HIS A 72 -2.048 -3.409 -4.995 1.00 54.23 H new ATOM 0 HD2 HIS A 72 -1.987 0.702 -5.820 1.00 25.25 H new ATOM 0 HE1 HIS A 72 -0.139 -3.021 -6.628 1.00 54.43 H new ATOM 995 N GLY A 73 -7.039 -1.486 -4.154 1.00 42.13 N ATOM 996 CA GLY A 73 -8.191 -1.555 -3.335 1.00 13.41 C ATOM 997 C GLY A 73 -8.795 -2.897 -3.434 1.00 62.04 C ATOM 998 O GLY A 73 -8.104 -3.863 -3.758 1.00 64.55 O ATOM 0 H GLY A 73 -7.087 -2.046 -5.005 1.00 42.13 H new ATOM 0 HA2 GLY A 73 -7.926 -1.341 -2.300 1.00 13.41 H new ATOM 0 HA3 GLY A 73 -8.913 -0.798 -3.642 1.00 13.41 H new ATOM 1002 N LYS A 74 -10.048 -2.995 -3.170 1.00 20.23 N ATOM 1003 CA LYS A 74 -10.706 -4.266 -3.213 1.00 31.32 C ATOM 1004 C LYS A 74 -11.922 -4.250 -4.076 1.00 15.41 C ATOM 1005 O LYS A 74 -12.572 -3.223 -4.261 1.00 0.40 O ATOM 1006 CB LYS A 74 -11.057 -4.821 -1.820 1.00 1.52 C ATOM 1007 CG LYS A 74 -9.920 -5.510 -1.041 1.00 32.50 C ATOM 1008 CD LYS A 74 -8.782 -4.588 -0.749 1.00 41.52 C ATOM 1009 CE LYS A 74 -7.719 -5.238 0.106 1.00 43.03 C ATOM 1010 NZ LYS A 74 -6.605 -4.314 0.406 1.00 45.42 N ATOM 0 H LYS A 74 -10.648 -2.209 -2.920 1.00 20.23 H new ATOM 0 HA LYS A 74 -9.975 -4.940 -3.659 1.00 31.32 H new ATOM 0 HB2 LYS A 74 -11.436 -3.999 -1.212 1.00 1.52 H new ATOM 0 HB3 LYS A 74 -11.872 -5.535 -1.934 1.00 1.52 H new ATOM 0 HG2 LYS A 74 -10.313 -5.904 -0.104 1.00 32.50 H new ATOM 0 HG3 LYS A 74 -9.555 -6.361 -1.616 1.00 32.50 H new ATOM 0 HD2 LYS A 74 -8.337 -4.256 -1.687 1.00 41.52 H new ATOM 0 HD3 LYS A 74 -9.159 -3.699 -0.243 1.00 41.52 H new ATOM 0 HE2 LYS A 74 -8.165 -5.582 1.039 1.00 43.03 H new ATOM 0 HE3 LYS A 74 -7.331 -6.119 -0.406 1.00 43.03 H new ATOM 0 HZ1 LYS A 74 -5.899 -4.801 0.994 1.00 45.42 H new ATOM 0 HZ2 LYS A 74 -6.161 -4.005 -0.482 1.00 45.42 H new ATOM 0 HZ3 LYS A 74 -6.970 -3.485 0.918 1.00 45.42 H new ATOM 1024 N VAL A 75 -12.207 -5.393 -4.594 1.00 51.31 N ATOM 1025 CA VAL A 75 -13.361 -5.624 -5.414 1.00 40.44 C ATOM 1026 C VAL A 75 -14.376 -6.496 -4.698 1.00 10.52 C ATOM 1027 O VAL A 75 -14.043 -7.560 -4.180 1.00 33.35 O ATOM 1028 CB VAL A 75 -12.971 -6.289 -6.760 1.00 33.32 C ATOM 1029 CG1 VAL A 75 -14.204 -6.795 -7.494 1.00 1.33 C ATOM 1030 CG2 VAL A 75 -12.212 -5.311 -7.629 1.00 24.32 C ATOM 0 H VAL A 75 -11.630 -6.223 -4.459 1.00 51.31 H new ATOM 0 HA VAL A 75 -13.808 -4.651 -5.617 1.00 40.44 H new ATOM 0 HB VAL A 75 -12.328 -7.142 -6.543 1.00 33.32 H new ATOM 0 HG11 VAL A 75 -13.904 -7.257 -8.434 1.00 1.33 H new ATOM 0 HG12 VAL A 75 -14.719 -7.531 -6.876 1.00 1.33 H new ATOM 0 HG13 VAL A 75 -14.874 -5.960 -7.698 1.00 1.33 H new ATOM 0 HG21 VAL A 75 -11.945 -5.792 -8.570 1.00 24.32 H new ATOM 0 HG22 VAL A 75 -12.838 -4.442 -7.830 1.00 24.32 H new ATOM 0 HG23 VAL A 75 -11.305 -4.994 -7.114 1.00 24.32 H new ATOM 1040 N LEU A 76 -15.593 -6.013 -4.680 1.00 14.13 N ATOM 1041 CA LEU A 76 -16.724 -6.690 -4.111 1.00 0.02 C ATOM 1042 C LEU A 76 -17.452 -7.403 -5.239 1.00 3.23 C ATOM 1043 O LEU A 76 -18.033 -6.753 -6.104 1.00 63.03 O ATOM 1044 CB LEU A 76 -17.690 -5.658 -3.493 1.00 13.01 C ATOM 1045 CG LEU A 76 -17.109 -4.703 -2.445 1.00 45.13 C ATOM 1046 CD1 LEU A 76 -18.178 -3.749 -1.943 1.00 42.23 C ATOM 1047 CD2 LEU A 76 -16.508 -5.473 -1.297 1.00 61.23 C ATOM 0 H LEU A 76 -15.829 -5.103 -5.077 1.00 14.13 H new ATOM 0 HA LEU A 76 -16.394 -7.389 -3.343 1.00 0.02 H new ATOM 0 HB2 LEU A 76 -18.109 -5.059 -4.302 1.00 13.01 H new ATOM 0 HB3 LEU A 76 -18.518 -6.200 -3.036 1.00 13.01 H new ATOM 0 HG LEU A 76 -16.319 -4.119 -2.916 1.00 45.13 H new ATOM 0 HD11 LEU A 76 -17.747 -3.078 -1.200 1.00 42.23 H new ATOM 0 HD12 LEU A 76 -18.565 -3.165 -2.778 1.00 42.23 H new ATOM 0 HD13 LEU A 76 -18.990 -4.318 -1.491 1.00 42.23 H new ATOM 0 HD21 LEU A 76 -16.101 -4.776 -0.565 1.00 61.23 H new ATOM 0 HD22 LEU A 76 -17.278 -6.085 -0.827 1.00 61.23 H new ATOM 0 HD23 LEU A 76 -15.710 -6.116 -1.668 1.00 61.23 H new ATOM 1059 N MET A 77 -17.392 -8.700 -5.258 1.00 31.24 N ATOM 1060 CA MET A 77 -18.065 -9.474 -6.295 1.00 43.01 C ATOM 1061 C MET A 77 -19.052 -10.442 -5.692 1.00 15.15 C ATOM 1062 O MET A 77 -18.872 -10.896 -4.573 1.00 53.14 O ATOM 1063 CB MET A 77 -17.062 -10.184 -7.211 1.00 61.04 C ATOM 1064 CG MET A 77 -16.073 -11.087 -6.513 1.00 52.04 C ATOM 1065 SD MET A 77 -14.977 -11.925 -7.677 1.00 44.22 S ATOM 1066 CE MET A 77 -14.276 -10.533 -8.569 1.00 33.41 C ATOM 0 H MET A 77 -16.886 -9.260 -4.572 1.00 31.24 H new ATOM 0 HA MET A 77 -18.625 -8.777 -6.918 1.00 43.01 H new ATOM 0 HB2 MET A 77 -17.617 -10.775 -7.939 1.00 61.04 H new ATOM 0 HB3 MET A 77 -16.508 -9.429 -7.769 1.00 61.04 H new ATOM 0 HG2 MET A 77 -15.477 -10.500 -5.814 1.00 52.04 H new ATOM 0 HG3 MET A 77 -16.613 -11.830 -5.926 1.00 52.04 H new ATOM 0 HE1 MET A 77 -13.257 -10.772 -8.874 1.00 33.41 H new ATOM 0 HE2 MET A 77 -14.880 -10.326 -9.453 1.00 33.41 H new ATOM 0 HE3 MET A 77 -14.265 -9.655 -7.923 1.00 33.41 H new ATOM 1076 N GLY A 78 -20.090 -10.761 -6.422 1.00 11.33 N ATOM 1077 CA GLY A 78 -21.108 -11.601 -5.875 1.00 73.44 C ATOM 1078 C GLY A 78 -22.300 -10.795 -5.405 1.00 3.42 C ATOM 1079 O GLY A 78 -23.158 -11.303 -4.688 1.00 60.10 O ATOM 0 H GLY A 78 -20.246 -10.454 -7.382 1.00 11.33 H new ATOM 0 HA2 GLY A 78 -21.429 -12.322 -6.627 1.00 73.44 H new ATOM 0 HA3 GLY A 78 -20.701 -12.171 -5.040 1.00 73.44 H new ATOM 1083 N VAL A 79 -22.353 -9.531 -5.802 1.00 4.42 N ATOM 1084 CA VAL A 79 -23.465 -8.677 -5.423 1.00 35.02 C ATOM 1085 C VAL A 79 -24.617 -8.878 -6.430 1.00 45.14 C ATOM 1086 O VAL A 79 -24.377 -8.958 -7.657 1.00 11.23 O ATOM 1087 CB VAL A 79 -23.039 -7.161 -5.337 1.00 23.40 C ATOM 1088 CG1 VAL A 79 -22.688 -6.568 -6.683 1.00 64.44 C ATOM 1089 CG2 VAL A 79 -24.079 -6.328 -4.636 1.00 52.12 C ATOM 0 H VAL A 79 -21.645 -9.079 -6.381 1.00 4.42 H new ATOM 0 HA VAL A 79 -23.801 -8.959 -4.425 1.00 35.02 H new ATOM 0 HB VAL A 79 -22.128 -7.141 -4.738 1.00 23.40 H new ATOM 0 HG11 VAL A 79 -22.403 -5.523 -6.557 1.00 64.44 H new ATOM 0 HG12 VAL A 79 -21.856 -7.121 -7.118 1.00 64.44 H new ATOM 0 HG13 VAL A 79 -23.552 -6.632 -7.345 1.00 64.44 H new ATOM 0 HG21 VAL A 79 -23.748 -5.290 -4.597 1.00 52.12 H new ATOM 0 HG22 VAL A 79 -25.021 -6.388 -5.181 1.00 52.12 H new ATOM 0 HG23 VAL A 79 -24.221 -6.702 -3.622 1.00 52.12 H new ATOM 1099 N THR A 80 -25.837 -8.986 -5.936 1.00 1.50 N ATOM 1100 CA THR A 80 -26.971 -9.226 -6.759 1.00 64.25 C ATOM 1101 C THR A 80 -27.326 -7.930 -7.531 1.00 71.55 C ATOM 1102 O THR A 80 -26.930 -6.842 -7.122 1.00 32.53 O ATOM 1103 CB THR A 80 -28.141 -9.642 -5.855 1.00 62.10 C ATOM 1104 OG1 THR A 80 -27.664 -10.597 -4.887 1.00 21.41 O ATOM 1105 CG2 THR A 80 -29.209 -10.301 -6.665 1.00 21.54 C ATOM 0 H THR A 80 -26.053 -8.906 -4.942 1.00 1.50 H new ATOM 0 HA THR A 80 -26.763 -10.017 -7.480 1.00 64.25 H new ATOM 0 HB THR A 80 -28.543 -8.755 -5.366 1.00 62.10 H new ATOM 0 HG1 THR A 80 -27.387 -10.127 -4.073 1.00 21.41 H new ATOM 0 HG21 THR A 80 -30.033 -10.591 -6.013 1.00 21.54 H new ATOM 0 HG22 THR A 80 -29.573 -9.606 -7.422 1.00 21.54 H new ATOM 0 HG23 THR A 80 -28.802 -11.187 -7.152 1.00 21.54 H new ATOM 1113 N SER A 81 -28.062 -8.049 -8.632 1.00 71.21 N ATOM 1114 CA SER A 81 -28.426 -6.895 -9.449 1.00 54.14 C ATOM 1115 C SER A 81 -29.227 -5.836 -8.657 1.00 1.22 C ATOM 1116 O SER A 81 -29.010 -4.637 -8.828 1.00 75.43 O ATOM 1117 CB SER A 81 -29.181 -7.355 -10.687 1.00 44.31 C ATOM 1118 OG SER A 81 -28.383 -8.266 -11.442 1.00 42.52 O ATOM 0 H SER A 81 -28.420 -8.938 -8.981 1.00 71.21 H new ATOM 0 HA SER A 81 -27.504 -6.404 -9.760 1.00 54.14 H new ATOM 0 HB2 SER A 81 -30.115 -7.835 -10.395 1.00 44.31 H new ATOM 0 HB3 SER A 81 -29.444 -6.494 -11.302 1.00 44.31 H new ATOM 0 HG SER A 81 -27.442 -7.998 -11.389 1.00 42.52 H new ATOM 1124 N ASP A 82 -30.113 -6.293 -7.781 1.00 61.32 N ATOM 1125 CA ASP A 82 -30.928 -5.404 -6.934 1.00 54.53 C ATOM 1126 C ASP A 82 -30.027 -4.545 -6.050 1.00 64.21 C ATOM 1127 O ASP A 82 -30.165 -3.322 -5.984 1.00 71.32 O ATOM 1128 CB ASP A 82 -31.860 -6.245 -6.047 1.00 54.14 C ATOM 1129 CG ASP A 82 -32.778 -7.143 -6.843 1.00 0.54 C ATOM 1130 OD1 ASP A 82 -32.298 -8.160 -7.385 1.00 4.31 O ATOM 1131 OD2 ASP A 82 -33.983 -6.836 -6.968 1.00 50.20 O ATOM 0 H ASP A 82 -30.293 -7.286 -7.631 1.00 61.32 H new ATOM 0 HA ASP A 82 -31.522 -4.754 -7.577 1.00 54.53 H new ATOM 0 HB2 ASP A 82 -31.259 -6.855 -5.373 1.00 54.14 H new ATOM 0 HB3 ASP A 82 -32.460 -5.580 -5.426 1.00 54.14 H new ATOM 1136 N GLU A 83 -29.090 -5.205 -5.406 1.00 51.34 N ATOM 1137 CA GLU A 83 -28.117 -4.583 -4.514 1.00 42.50 C ATOM 1138 C GLU A 83 -27.141 -3.724 -5.345 1.00 62.12 C ATOM 1139 O GLU A 83 -26.662 -2.714 -4.896 1.00 0.43 O ATOM 1140 CB GLU A 83 -27.363 -5.704 -3.813 1.00 12.32 C ATOM 1141 CG GLU A 83 -28.272 -6.727 -3.134 1.00 53.25 C ATOM 1142 CD GLU A 83 -27.510 -7.910 -2.581 1.00 20.10 C ATOM 1143 OE1 GLU A 83 -26.814 -8.592 -3.370 1.00 41.14 O ATOM 1144 OE2 GLU A 83 -27.645 -8.215 -1.373 1.00 32.42 O ATOM 0 H GLU A 83 -28.975 -6.215 -5.485 1.00 51.34 H new ATOM 0 HA GLU A 83 -28.606 -3.940 -3.783 1.00 42.50 H new ATOM 0 HB2 GLU A 83 -26.734 -6.217 -4.541 1.00 12.32 H new ATOM 0 HB3 GLU A 83 -26.698 -5.270 -3.066 1.00 12.32 H new ATOM 0 HG2 GLU A 83 -28.818 -6.241 -2.325 1.00 53.25 H new ATOM 0 HG3 GLU A 83 -29.013 -7.081 -3.851 1.00 53.25 H new ATOM 1151 N LEU A 84 -26.883 -4.146 -6.575 1.00 52.04 N ATOM 1152 CA LEU A 84 -26.036 -3.394 -7.511 1.00 41.03 C ATOM 1153 C LEU A 84 -26.684 -2.036 -7.808 1.00 24.00 C ATOM 1154 O LEU A 84 -26.001 -1.005 -7.878 1.00 62.54 O ATOM 1155 CB LEU A 84 -25.801 -4.258 -8.801 1.00 52.30 C ATOM 1156 CG LEU A 84 -24.929 -3.708 -9.978 1.00 64.54 C ATOM 1157 CD1 LEU A 84 -25.613 -2.600 -10.753 1.00 22.42 C ATOM 1158 CD2 LEU A 84 -23.560 -3.257 -9.495 1.00 64.13 C ATOM 0 H LEU A 84 -27.251 -5.017 -6.959 1.00 52.04 H new ATOM 0 HA LEU A 84 -25.058 -3.191 -7.075 1.00 41.03 H new ATOM 0 HB2 LEU A 84 -25.353 -5.199 -8.481 1.00 52.30 H new ATOM 0 HB3 LEU A 84 -26.782 -4.496 -9.212 1.00 52.30 H new ATOM 0 HG LEU A 84 -24.796 -4.542 -10.667 1.00 64.54 H new ATOM 0 HD11 LEU A 84 -24.959 -2.260 -11.556 1.00 22.42 H new ATOM 0 HD12 LEU A 84 -26.544 -2.974 -11.178 1.00 22.42 H new ATOM 0 HD13 LEU A 84 -25.829 -1.767 -10.084 1.00 22.42 H new ATOM 0 HD21 LEU A 84 -22.982 -2.881 -10.339 1.00 64.13 H new ATOM 0 HD22 LEU A 84 -23.678 -2.466 -8.755 1.00 64.13 H new ATOM 0 HD23 LEU A 84 -23.037 -4.100 -9.044 1.00 64.13 H new ATOM 1170 N GLU A 85 -27.999 -2.038 -7.960 1.00 13.34 N ATOM 1171 CA GLU A 85 -28.735 -0.807 -8.170 1.00 3.41 C ATOM 1172 C GLU A 85 -28.789 -0.010 -6.881 1.00 52.03 C ATOM 1173 O GLU A 85 -28.839 1.198 -6.898 1.00 30.33 O ATOM 1174 CB GLU A 85 -30.134 -1.073 -8.701 1.00 63.11 C ATOM 1175 CG GLU A 85 -30.142 -1.800 -10.027 1.00 1.04 C ATOM 1176 CD GLU A 85 -31.522 -1.972 -10.581 1.00 13.13 C ATOM 1177 OE1 GLU A 85 -32.189 -2.971 -10.263 1.00 53.12 O ATOM 1178 OE2 GLU A 85 -31.959 -1.111 -11.367 1.00 43.15 O ATOM 0 H GLU A 85 -28.576 -2.879 -7.941 1.00 13.34 H new ATOM 0 HA GLU A 85 -28.210 -0.223 -8.926 1.00 3.41 H new ATOM 0 HB2 GLU A 85 -30.687 -1.661 -7.969 1.00 63.11 H new ATOM 0 HB3 GLU A 85 -30.660 -0.125 -8.811 1.00 63.11 H new ATOM 0 HG2 GLU A 85 -29.533 -1.248 -10.743 1.00 1.04 H new ATOM 0 HG3 GLU A 85 -29.680 -2.779 -9.903 1.00 1.04 H new ATOM 1185 N ASN A 86 -28.761 -0.716 -5.770 1.00 34.20 N ATOM 1186 CA ASN A 86 -28.728 -0.107 -4.450 1.00 52.04 C ATOM 1187 C ASN A 86 -27.406 0.615 -4.214 1.00 10.20 C ATOM 1188 O ASN A 86 -27.385 1.726 -3.700 1.00 64.41 O ATOM 1189 CB ASN A 86 -29.043 -1.161 -3.370 1.00 25.31 C ATOM 1190 CG ASN A 86 -28.117 -1.149 -2.170 1.00 41.11 C ATOM 1191 OD1 ASN A 86 -27.130 -1.861 -2.135 1.00 73.44 O ATOM 1192 ND2 ASN A 86 -28.407 -0.348 -1.213 1.00 44.12 N ATOM 0 H ASN A 86 -28.760 -1.736 -5.754 1.00 34.20 H new ATOM 0 HA ASN A 86 -29.504 0.656 -4.386 1.00 52.04 H new ATOM 0 HB2 ASN A 86 -30.065 -1.008 -3.022 1.00 25.31 H new ATOM 0 HB3 ASN A 86 -29.006 -2.150 -3.828 1.00 25.31 H new ATOM 0 HD21 ASN A 86 -27.804 -0.294 -0.392 1.00 44.12 H new ATOM 0 HD22 ASN A 86 -29.241 0.236 -1.272 1.00 44.12 H new ATOM 1199 N LEU A 87 -26.319 -0.006 -4.625 1.00 11.33 N ATOM 1200 CA LEU A 87 -24.997 0.607 -4.567 1.00 14.32 C ATOM 1201 C LEU A 87 -24.993 1.854 -5.433 1.00 35.44 C ATOM 1202 O LEU A 87 -24.501 2.917 -5.030 1.00 62.32 O ATOM 1203 CB LEU A 87 -23.927 -0.374 -5.072 1.00 15.42 C ATOM 1204 CG LEU A 87 -23.745 -1.663 -4.268 1.00 72.11 C ATOM 1205 CD1 LEU A 87 -22.734 -2.567 -4.953 1.00 31.35 C ATOM 1206 CD2 LEU A 87 -23.281 -1.347 -2.858 1.00 35.12 C ATOM 0 H LEU A 87 -26.322 -0.951 -5.010 1.00 11.33 H new ATOM 0 HA LEU A 87 -24.768 0.868 -3.534 1.00 14.32 H new ATOM 0 HB2 LEU A 87 -24.171 -0.645 -6.099 1.00 15.42 H new ATOM 0 HB3 LEU A 87 -22.971 0.149 -5.099 1.00 15.42 H new ATOM 0 HG LEU A 87 -24.705 -2.176 -4.215 1.00 72.11 H new ATOM 0 HD11 LEU A 87 -22.612 -3.482 -4.373 1.00 31.35 H new ATOM 0 HD12 LEU A 87 -23.088 -2.816 -5.953 1.00 31.35 H new ATOM 0 HD13 LEU A 87 -21.776 -2.052 -5.025 1.00 31.35 H new ATOM 0 HD21 LEU A 87 -23.156 -2.275 -2.299 1.00 35.12 H new ATOM 0 HD22 LEU A 87 -22.329 -0.817 -2.898 1.00 35.12 H new ATOM 0 HD23 LEU A 87 -24.024 -0.722 -2.362 1.00 35.12 H new ATOM 1218 N ASP A 88 -25.587 1.720 -6.613 1.00 12.54 N ATOM 1219 CA ASP A 88 -25.708 2.818 -7.568 1.00 3.22 C ATOM 1220 C ASP A 88 -26.592 3.922 -7.003 1.00 44.12 C ATOM 1221 O ASP A 88 -26.364 5.096 -7.239 1.00 55.42 O ATOM 1222 CB ASP A 88 -26.260 2.297 -8.905 1.00 0.20 C ATOM 1223 CG ASP A 88 -26.457 3.381 -9.947 1.00 32.52 C ATOM 1224 OD1 ASP A 88 -25.476 3.812 -10.562 1.00 14.54 O ATOM 1225 OD2 ASP A 88 -27.617 3.800 -10.171 1.00 4.33 O ATOM 0 H ASP A 88 -26.000 0.845 -6.936 1.00 12.54 H new ATOM 0 HA ASP A 88 -24.719 3.240 -7.747 1.00 3.22 H new ATOM 0 HB2 ASP A 88 -25.578 1.544 -9.301 1.00 0.20 H new ATOM 0 HB3 ASP A 88 -27.214 1.800 -8.725 1.00 0.20 H new ATOM 1230 N ALA A 89 -27.580 3.532 -6.240 1.00 3.11 N ATOM 1231 CA ALA A 89 -28.485 4.461 -5.604 1.00 23.25 C ATOM 1232 C ALA A 89 -27.786 5.228 -4.488 1.00 61.14 C ATOM 1233 O ALA A 89 -27.956 6.434 -4.359 1.00 24.23 O ATOM 1234 CB ALA A 89 -29.687 3.717 -5.047 1.00 64.24 C ATOM 0 H ALA A 89 -27.783 2.553 -6.039 1.00 3.11 H new ATOM 0 HA ALA A 89 -28.820 5.178 -6.354 1.00 23.25 H new ATOM 0 HB1 ALA A 89 -30.364 4.425 -4.569 1.00 64.24 H new ATOM 0 HB2 ALA A 89 -30.208 3.208 -5.858 1.00 64.24 H new ATOM 0 HB3 ALA A 89 -29.353 2.983 -4.313 1.00 64.24 H new ATOM 1240 N VAL A 90 -27.019 4.521 -3.687 1.00 71.03 N ATOM 1241 CA VAL A 90 -26.315 5.106 -2.556 1.00 31.53 C ATOM 1242 C VAL A 90 -25.116 5.983 -2.982 1.00 64.41 C ATOM 1243 O VAL A 90 -25.067 7.184 -2.672 1.00 73.43 O ATOM 1244 CB VAL A 90 -25.867 4.006 -1.547 1.00 73.25 C ATOM 1245 CG1 VAL A 90 -25.033 4.585 -0.418 1.00 43.14 C ATOM 1246 CG2 VAL A 90 -27.083 3.313 -0.969 1.00 65.24 C ATOM 0 H VAL A 90 -26.862 3.519 -3.799 1.00 71.03 H new ATOM 0 HA VAL A 90 -27.025 5.768 -2.059 1.00 31.53 H new ATOM 0 HB VAL A 90 -25.251 3.290 -2.091 1.00 73.25 H new ATOM 0 HG11 VAL A 90 -24.740 3.787 0.264 1.00 43.14 H new ATOM 0 HG12 VAL A 90 -24.141 5.056 -0.830 1.00 43.14 H new ATOM 0 HG13 VAL A 90 -25.619 5.328 0.123 1.00 43.14 H new ATOM 0 HG21 VAL A 90 -26.764 2.545 -0.264 1.00 65.24 H new ATOM 0 HG22 VAL A 90 -27.706 4.043 -0.452 1.00 65.24 H new ATOM 0 HG23 VAL A 90 -27.656 2.852 -1.774 1.00 65.24 H new ATOM 1256 N GLU A 91 -24.186 5.398 -3.717 1.00 45.43 N ATOM 1257 CA GLU A 91 -22.957 6.096 -4.130 1.00 24.03 C ATOM 1258 C GLU A 91 -23.222 7.050 -5.289 1.00 2.43 C ATOM 1259 O GLU A 91 -22.494 8.023 -5.498 1.00 12.30 O ATOM 1260 CB GLU A 91 -21.887 5.075 -4.517 1.00 20.24 C ATOM 1261 CG GLU A 91 -21.456 4.153 -3.382 1.00 51.04 C ATOM 1262 CD GLU A 91 -20.705 4.876 -2.284 1.00 42.33 C ATOM 1263 OE1 GLU A 91 -21.328 5.576 -1.470 1.00 31.34 O ATOM 1264 OE2 GLU A 91 -19.456 4.762 -2.235 1.00 5.42 O ATOM 0 H GLU A 91 -24.250 4.435 -4.047 1.00 45.43 H new ATOM 0 HA GLU A 91 -22.602 6.689 -3.287 1.00 24.03 H new ATOM 0 HB2 GLU A 91 -22.263 4.467 -5.340 1.00 20.24 H new ATOM 0 HB3 GLU A 91 -21.012 5.608 -4.889 1.00 20.24 H new ATOM 0 HG2 GLU A 91 -22.337 3.673 -2.956 1.00 51.04 H new ATOM 0 HG3 GLU A 91 -20.825 3.361 -3.785 1.00 51.04 H new ATOM 1271 N GLY A 92 -24.286 6.773 -6.010 1.00 35.13 N ATOM 1272 CA GLY A 92 -24.666 7.534 -7.187 1.00 70.34 C ATOM 1273 C GLY A 92 -25.009 8.990 -6.926 1.00 42.13 C ATOM 1274 O GLY A 92 -25.103 9.784 -7.866 1.00 62.32 O ATOM 0 H GLY A 92 -24.921 6.004 -5.796 1.00 35.13 H new ATOM 0 HA2 GLY A 92 -23.849 7.492 -7.908 1.00 70.34 H new ATOM 0 HA3 GLY A 92 -25.526 7.051 -7.651 1.00 70.34 H new ATOM 1278 N ASN A 93 -25.249 9.349 -5.676 1.00 24.22 N ATOM 1279 CA ASN A 93 -25.639 10.723 -5.361 1.00 52.30 C ATOM 1280 C ASN A 93 -24.512 11.708 -5.599 1.00 63.31 C ATOM 1281 O ASN A 93 -24.718 12.763 -6.209 1.00 42.42 O ATOM 1282 CB ASN A 93 -26.180 10.881 -3.929 1.00 60.24 C ATOM 1283 CG ASN A 93 -27.431 10.074 -3.670 1.00 34.31 C ATOM 1284 OD1 ASN A 93 -28.545 10.526 -3.946 1.00 44.02 O ATOM 1285 ND2 ASN A 93 -27.278 8.905 -3.106 1.00 25.14 N ATOM 0 H ASN A 93 -25.184 8.725 -4.872 1.00 24.22 H new ATOM 0 HA ASN A 93 -26.452 10.954 -6.050 1.00 52.30 H new ATOM 0 HB2 ASN A 93 -25.408 10.579 -3.221 1.00 60.24 H new ATOM 0 HB3 ASN A 93 -26.390 11.934 -3.742 1.00 60.24 H new ATOM 0 HD21 ASN A 93 -28.094 8.337 -2.881 1.00 25.14 H new ATOM 0 HD22 ASN A 93 -26.342 8.561 -2.891 1.00 25.14 H new ATOM 1292 N GLU A 94 -23.326 11.377 -5.146 1.00 40.40 N ATOM 1293 CA GLU A 94 -22.205 12.293 -5.281 1.00 63.10 C ATOM 1294 C GLU A 94 -21.136 11.743 -6.208 1.00 31.04 C ATOM 1295 O GLU A 94 -20.207 12.454 -6.592 1.00 41.31 O ATOM 1296 CB GLU A 94 -21.624 12.614 -3.913 1.00 12.11 C ATOM 1297 CG GLU A 94 -22.639 13.212 -2.954 1.00 20.44 C ATOM 1298 CD GLU A 94 -22.054 13.517 -1.613 1.00 2.30 C ATOM 1299 OE1 GLU A 94 -21.948 12.597 -0.785 1.00 33.24 O ATOM 1300 OE2 GLU A 94 -21.682 14.684 -1.364 1.00 54.03 O ATOM 0 H GLU A 94 -23.108 10.493 -4.686 1.00 40.40 H new ATOM 0 HA GLU A 94 -22.577 13.214 -5.731 1.00 63.10 H new ATOM 0 HB2 GLU A 94 -21.215 11.703 -3.477 1.00 12.11 H new ATOM 0 HB3 GLU A 94 -20.794 13.310 -4.033 1.00 12.11 H new ATOM 0 HG2 GLU A 94 -23.045 14.127 -3.385 1.00 20.44 H new ATOM 0 HG3 GLU A 94 -23.472 12.519 -2.834 1.00 20.44 H new ATOM 1307 N TYR A 95 -21.268 10.490 -6.562 1.00 34.13 N ATOM 1308 CA TYR A 95 -20.330 9.827 -7.444 1.00 71.14 C ATOM 1309 C TYR A 95 -21.097 9.229 -8.603 1.00 70.13 C ATOM 1310 O TYR A 95 -22.321 9.169 -8.563 1.00 33.30 O ATOM 1311 CB TYR A 95 -19.580 8.713 -6.703 1.00 3.25 C ATOM 1312 CG TYR A 95 -18.743 9.168 -5.526 1.00 44.43 C ATOM 1313 CD1 TYR A 95 -19.326 9.479 -4.302 1.00 1.43 C ATOM 1314 CD2 TYR A 95 -17.371 9.275 -5.635 1.00 34.20 C ATOM 1315 CE1 TYR A 95 -18.561 9.884 -3.228 1.00 14.52 C ATOM 1316 CE2 TYR A 95 -16.602 9.675 -4.566 1.00 43.51 C ATOM 1317 CZ TYR A 95 -17.199 9.980 -3.366 1.00 42.42 C ATOM 1318 OH TYR A 95 -16.427 10.380 -2.296 1.00 44.02 O ATOM 0 H TYR A 95 -22.033 9.894 -6.246 1.00 34.13 H new ATOM 0 HA TYR A 95 -19.601 10.554 -7.801 1.00 71.14 H new ATOM 0 HB2 TYR A 95 -20.307 7.981 -6.350 1.00 3.25 H new ATOM 0 HB3 TYR A 95 -18.931 8.200 -7.413 1.00 3.25 H new ATOM 0 HD1 TYR A 95 -20.397 9.402 -4.190 1.00 1.43 H new ATOM 0 HD2 TYR A 95 -16.893 9.041 -6.575 1.00 34.20 H new ATOM 0 HE1 TYR A 95 -19.030 10.124 -2.285 1.00 14.52 H new ATOM 0 HE2 TYR A 95 -15.530 9.749 -4.670 1.00 43.51 H new ATOM 0 HH TYR A 95 -15.688 9.749 -2.172 1.00 44.02 H new ATOM 1328 N GLU A 96 -20.412 8.815 -9.632 1.00 72.23 N ATOM 1329 CA GLU A 96 -21.083 8.173 -10.739 1.00 54.15 C ATOM 1330 C GLU A 96 -20.480 6.805 -10.959 1.00 1.51 C ATOM 1331 O GLU A 96 -19.270 6.610 -10.751 1.00 40.21 O ATOM 1332 CB GLU A 96 -20.960 9.014 -12.015 1.00 52.15 C ATOM 1333 CG GLU A 96 -21.737 8.451 -13.196 1.00 22.21 C ATOM 1334 CD GLU A 96 -21.580 9.267 -14.440 1.00 13.21 C ATOM 1335 OE1 GLU A 96 -22.159 10.364 -14.518 1.00 61.43 O ATOM 1336 OE2 GLU A 96 -20.884 8.818 -15.366 1.00 74.31 O ATOM 0 H GLU A 96 -19.401 8.907 -9.732 1.00 72.23 H new ATOM 0 HA GLU A 96 -22.142 8.075 -10.501 1.00 54.15 H new ATOM 0 HB2 GLU A 96 -21.312 10.025 -11.809 1.00 52.15 H new ATOM 0 HB3 GLU A 96 -19.908 9.092 -12.288 1.00 52.15 H new ATOM 0 HG2 GLU A 96 -21.403 7.432 -13.392 1.00 22.21 H new ATOM 0 HG3 GLU A 96 -22.794 8.395 -12.935 1.00 22.21 H new ATOM 1343 N ARG A 97 -21.308 5.866 -11.369 1.00 10.21 N ATOM 1344 CA ARG A 97 -20.878 4.518 -11.586 1.00 22.40 C ATOM 1345 C ARG A 97 -20.352 4.394 -12.997 1.00 70.12 C ATOM 1346 O ARG A 97 -21.099 4.557 -13.970 1.00 41.44 O ATOM 1347 CB ARG A 97 -22.056 3.555 -11.419 1.00 22.42 C ATOM 1348 CG ARG A 97 -21.679 2.080 -11.445 1.00 22.41 C ATOM 1349 CD ARG A 97 -22.920 1.198 -11.481 1.00 63.23 C ATOM 1350 NE ARG A 97 -23.656 1.362 -12.743 1.00 51.05 N ATOM 1351 CZ ARG A 97 -24.952 1.082 -12.941 1.00 73.34 C ATOM 1352 NH1 ARG A 97 -25.711 0.640 -11.939 1.00 22.33 N ATOM 1353 NH2 ARG A 97 -25.483 1.253 -14.145 1.00 14.11 N ATOM 0 H ARG A 97 -22.297 6.026 -11.559 1.00 10.21 H new ATOM 0 HA ARG A 97 -20.102 4.270 -10.862 1.00 22.40 H new ATOM 0 HB2 ARG A 97 -22.554 3.772 -10.474 1.00 22.42 H new ATOM 0 HB3 ARG A 97 -22.779 3.746 -12.212 1.00 22.42 H new ATOM 0 HG2 ARG A 97 -21.058 1.875 -12.317 1.00 22.41 H new ATOM 0 HG3 ARG A 97 -21.083 1.838 -10.565 1.00 22.41 H new ATOM 0 HD2 ARG A 97 -22.630 0.154 -11.360 1.00 63.23 H new ATOM 0 HD3 ARG A 97 -23.571 1.448 -10.643 1.00 63.23 H new ATOM 0 HE ARG A 97 -23.133 1.722 -13.541 1.00 51.05 H new ATOM 0 HH11 ARG A 97 -25.307 0.512 -11.011 1.00 22.33 H new ATOM 0 HH12 ARG A 97 -26.696 0.430 -12.100 1.00 22.33 H new ATOM 0 HH21 ARG A 97 -24.906 1.596 -14.913 1.00 14.11 H new ATOM 0 HH22 ARG A 97 -26.468 1.042 -14.302 1.00 14.11 H new ATOM 1367 N VAL A 98 -19.096 4.137 -13.113 1.00 3.35 N ATOM 1368 CA VAL A 98 -18.485 3.936 -14.390 1.00 42.44 C ATOM 1369 C VAL A 98 -17.863 2.581 -14.452 1.00 51.20 C ATOM 1370 O VAL A 98 -17.600 1.956 -13.410 1.00 11.15 O ATOM 1371 CB VAL A 98 -17.467 5.028 -14.770 1.00 22.55 C ATOM 1372 CG1 VAL A 98 -18.194 6.345 -14.967 1.00 23.35 C ATOM 1373 CG2 VAL A 98 -16.391 5.159 -13.696 1.00 32.20 C ATOM 0 H VAL A 98 -18.456 4.059 -12.323 1.00 3.35 H new ATOM 0 HA VAL A 98 -19.281 4.008 -15.131 1.00 42.44 H new ATOM 0 HB VAL A 98 -16.974 4.750 -15.701 1.00 22.55 H new ATOM 0 HG11 VAL A 98 -17.476 7.120 -15.236 1.00 23.35 H new ATOM 0 HG12 VAL A 98 -18.929 6.239 -15.764 1.00 23.35 H new ATOM 0 HG13 VAL A 98 -18.699 6.624 -14.042 1.00 23.35 H new ATOM 0 HG21 VAL A 98 -15.682 5.935 -13.984 1.00 32.20 H new ATOM 0 HG22 VAL A 98 -16.855 5.425 -12.746 1.00 32.20 H new ATOM 0 HG23 VAL A 98 -15.866 4.210 -13.589 1.00 32.20 H new ATOM 1383 N THR A 99 -17.628 2.116 -15.630 1.00 33.42 N ATOM 1384 CA THR A 99 -17.100 0.793 -15.793 1.00 31.45 C ATOM 1385 C THR A 99 -15.587 0.899 -16.036 1.00 22.31 C ATOM 1386 O THR A 99 -15.131 1.669 -16.888 1.00 72.22 O ATOM 1387 CB THR A 99 -17.867 -0.008 -16.916 1.00 64.21 C ATOM 1388 OG1 THR A 99 -17.504 -1.394 -16.903 1.00 35.52 O ATOM 1389 CG2 THR A 99 -17.623 0.566 -18.310 1.00 35.32 C ATOM 0 H THR A 99 -17.791 2.626 -16.498 1.00 33.42 H new ATOM 0 HA THR A 99 -17.257 0.211 -14.885 1.00 31.45 H new ATOM 0 HB THR A 99 -18.928 0.091 -16.689 1.00 64.21 H new ATOM 0 HG1 THR A 99 -17.995 -1.867 -17.607 1.00 35.52 H new ATOM 0 HG21 THR A 99 -18.173 -0.020 -19.046 1.00 35.32 H new ATOM 0 HG22 THR A 99 -17.964 1.601 -18.342 1.00 35.32 H new ATOM 0 HG23 THR A 99 -16.558 0.528 -18.538 1.00 35.32 H new ATOM 1397 N VAL A 100 -14.824 0.177 -15.254 1.00 13.45 N ATOM 1398 CA VAL A 100 -13.378 0.288 -15.272 1.00 42.42 C ATOM 1399 C VAL A 100 -12.717 -1.075 -15.295 1.00 71.33 C ATOM 1400 O VAL A 100 -13.385 -2.107 -15.170 1.00 34.51 O ATOM 1401 CB VAL A 100 -12.859 1.080 -14.042 1.00 23.51 C ATOM 1402 CG1 VAL A 100 -13.386 2.509 -14.051 1.00 50.33 C ATOM 1403 CG2 VAL A 100 -13.250 0.377 -12.744 1.00 32.25 C ATOM 0 H VAL A 100 -15.183 -0.505 -14.586 1.00 13.45 H new ATOM 0 HA VAL A 100 -13.117 0.826 -16.183 1.00 42.42 H new ATOM 0 HB VAL A 100 -11.771 1.118 -14.102 1.00 23.51 H new ATOM 0 HG11 VAL A 100 -13.007 3.042 -13.179 1.00 50.33 H new ATOM 0 HG12 VAL A 100 -13.053 3.014 -14.958 1.00 50.33 H new ATOM 0 HG13 VAL A 100 -14.476 2.495 -14.023 1.00 50.33 H new ATOM 0 HG21 VAL A 100 -12.877 0.948 -11.894 1.00 32.25 H new ATOM 0 HG22 VAL A 100 -14.336 0.303 -12.683 1.00 32.25 H new ATOM 0 HG23 VAL A 100 -12.817 -0.623 -12.727 1.00 32.25 H new ATOM 1413 N GLY A 101 -11.428 -1.077 -15.474 1.00 52.13 N ATOM 1414 CA GLY A 101 -10.684 -2.295 -15.484 1.00 62.43 C ATOM 1415 C GLY A 101 -9.718 -2.361 -14.331 1.00 54.23 C ATOM 1416 O GLY A 101 -8.941 -1.430 -14.113 1.00 30.22 O ATOM 0 H GLY A 101 -10.868 -0.236 -15.616 1.00 52.13 H new ATOM 0 HA2 GLY A 101 -11.369 -3.141 -15.435 1.00 62.43 H new ATOM 0 HA3 GLY A 101 -10.138 -2.381 -16.423 1.00 62.43 H new ATOM 1420 N ILE A 102 -9.766 -3.437 -13.603 1.00 31.05 N ATOM 1421 CA ILE A 102 -8.908 -3.657 -12.461 1.00 33.30 C ATOM 1422 C ILE A 102 -8.042 -4.865 -12.689 1.00 61.43 C ATOM 1423 O ILE A 102 -8.324 -5.660 -13.554 1.00 1.22 O ATOM 1424 CB ILE A 102 -9.725 -3.776 -11.115 1.00 52.40 C ATOM 1425 CG1 ILE A 102 -10.842 -4.855 -11.149 1.00 72.40 C ATOM 1426 CG2 ILE A 102 -10.316 -2.451 -10.728 1.00 22.53 C ATOM 1427 CD1 ILE A 102 -10.404 -6.292 -10.974 1.00 72.44 C ATOM 0 H ILE A 102 -10.412 -4.205 -13.784 1.00 31.05 H new ATOM 0 HA ILE A 102 -8.265 -2.784 -12.354 1.00 33.30 H new ATOM 0 HB ILE A 102 -9.001 -4.096 -10.365 1.00 52.40 H new ATOM 0 HG12 ILE A 102 -11.564 -4.622 -10.367 1.00 72.40 H new ATOM 0 HG13 ILE A 102 -11.366 -4.773 -12.101 1.00 72.40 H new ATOM 0 HG21 ILE A 102 -10.874 -2.559 -9.798 1.00 22.53 H new ATOM 0 HG22 ILE A 102 -9.517 -1.723 -10.589 1.00 22.53 H new ATOM 0 HG23 ILE A 102 -10.987 -2.108 -11.516 1.00 22.53 H new ATOM 0 HD11 ILE A 102 -11.275 -6.946 -11.017 1.00 72.44 H new ATOM 0 HD12 ILE A 102 -9.710 -6.560 -11.770 1.00 72.44 H new ATOM 0 HD13 ILE A 102 -9.911 -6.407 -10.009 1.00 72.44 H new ATOM 1439 N VAL A 103 -6.996 -4.987 -11.948 1.00 30.10 N ATOM 1440 CA VAL A 103 -6.118 -6.125 -12.045 1.00 0.11 C ATOM 1441 C VAL A 103 -6.086 -6.760 -10.693 1.00 72.21 C ATOM 1442 O VAL A 103 -5.786 -6.088 -9.713 1.00 31.21 O ATOM 1443 CB VAL A 103 -4.682 -5.711 -12.457 1.00 3.51 C ATOM 1444 CG1 VAL A 103 -3.783 -6.928 -12.611 1.00 13.13 C ATOM 1445 CG2 VAL A 103 -4.691 -4.881 -13.735 1.00 64.24 C ATOM 0 H VAL A 103 -6.714 -4.300 -11.249 1.00 30.10 H new ATOM 0 HA VAL A 103 -6.484 -6.809 -12.810 1.00 0.11 H new ATOM 0 HB VAL A 103 -4.277 -5.091 -11.657 1.00 3.51 H new ATOM 0 HG11 VAL A 103 -2.782 -6.607 -12.900 1.00 13.13 H new ATOM 0 HG12 VAL A 103 -3.732 -7.465 -11.664 1.00 13.13 H new ATOM 0 HG13 VAL A 103 -4.189 -7.586 -13.379 1.00 13.13 H new ATOM 0 HG21 VAL A 103 -3.669 -4.606 -13.998 1.00 64.24 H new ATOM 0 HG22 VAL A 103 -5.129 -5.464 -14.545 1.00 64.24 H new ATOM 0 HG23 VAL A 103 -5.281 -3.978 -13.578 1.00 64.24 H new ATOM 1455 N ARG A 104 -6.414 -8.025 -10.607 1.00 41.24 N ATOM 1456 CA ARG A 104 -6.481 -8.640 -9.315 1.00 4.44 C ATOM 1457 C ARG A 104 -5.102 -8.987 -8.830 1.00 50.10 C ATOM 1458 O ARG A 104 -4.302 -9.568 -9.558 1.00 75.00 O ATOM 1459 CB ARG A 104 -7.348 -9.903 -9.282 1.00 4.24 C ATOM 1460 CG ARG A 104 -8.714 -9.772 -9.913 1.00 24.15 C ATOM 1461 CD ARG A 104 -9.650 -10.895 -9.465 1.00 21.41 C ATOM 1462 NE ARG A 104 -9.045 -12.239 -9.496 1.00 4.14 N ATOM 1463 CZ ARG A 104 -9.645 -13.344 -9.958 1.00 64.23 C ATOM 1464 NH1 ARG A 104 -10.716 -13.250 -10.748 1.00 33.53 N ATOM 1465 NH2 ARG A 104 -9.132 -14.537 -9.669 1.00 71.44 N ATOM 0 H ARG A 104 -6.633 -8.632 -11.397 1.00 41.24 H new ATOM 0 HA ARG A 104 -6.949 -7.905 -8.660 1.00 4.44 H new ATOM 0 HB2 ARG A 104 -6.810 -10.705 -9.787 1.00 4.24 H new ATOM 0 HB3 ARG A 104 -7.475 -10.208 -8.243 1.00 4.24 H new ATOM 0 HG2 ARG A 104 -9.148 -8.808 -9.647 1.00 24.15 H new ATOM 0 HG3 ARG A 104 -8.617 -9.789 -10.999 1.00 24.15 H new ATOM 0 HD2 ARG A 104 -9.990 -10.686 -8.451 1.00 21.41 H new ATOM 0 HD3 ARG A 104 -10.533 -10.892 -10.104 1.00 21.41 H new ATOM 0 HE ARG A 104 -8.095 -12.335 -9.138 1.00 4.14 H new ATOM 0 HH11 ARG A 104 -11.082 -12.333 -11.003 1.00 33.53 H new ATOM 0 HH12 ARG A 104 -11.168 -14.095 -11.097 1.00 33.53 H new ATOM 0 HH21 ARG A 104 -8.288 -14.605 -9.100 1.00 71.44 H new ATOM 0 HH22 ARG A 104 -9.582 -15.384 -10.017 1.00 71.44 H new ATOM 1479 N GLU A 105 -4.856 -8.688 -7.582 1.00 12.32 N ATOM 1480 CA GLU A 105 -3.598 -8.996 -6.909 1.00 62.43 C ATOM 1481 C GLU A 105 -3.665 -10.454 -6.410 1.00 3.45 C ATOM 1482 O GLU A 105 -2.862 -10.922 -5.615 1.00 14.04 O ATOM 1483 CB GLU A 105 -3.435 -8.022 -5.747 1.00 70.01 C ATOM 1484 CG GLU A 105 -3.418 -6.554 -6.194 1.00 60.34 C ATOM 1485 CD GLU A 105 -3.409 -5.568 -5.046 1.00 11.33 C ATOM 1486 OE1 GLU A 105 -4.479 -5.250 -4.532 1.00 61.45 O ATOM 1487 OE2 GLU A 105 -2.324 -5.094 -4.650 1.00 32.15 O ATOM 0 H GLU A 105 -5.531 -8.214 -6.983 1.00 12.32 H new ATOM 0 HA GLU A 105 -2.743 -8.894 -7.578 1.00 62.43 H new ATOM 0 HB2 GLU A 105 -4.249 -8.171 -5.038 1.00 70.01 H new ATOM 0 HB3 GLU A 105 -2.508 -8.246 -5.219 1.00 70.01 H new ATOM 0 HG2 GLU A 105 -2.539 -6.383 -6.815 1.00 60.34 H new ATOM 0 HG3 GLU A 105 -4.291 -6.363 -6.818 1.00 60.34 H new ATOM 1494 N ASP A 106 -4.664 -11.119 -6.912 1.00 43.32 N ATOM 1495 CA ASP A 106 -4.990 -12.509 -6.660 1.00 30.42 C ATOM 1496 C ASP A 106 -4.287 -13.431 -7.656 1.00 72.30 C ATOM 1497 O ASP A 106 -3.593 -14.374 -7.270 1.00 65.32 O ATOM 1498 CB ASP A 106 -6.509 -12.665 -6.812 1.00 13.10 C ATOM 1499 CG ASP A 106 -7.005 -14.092 -6.754 1.00 42.12 C ATOM 1500 OD1 ASP A 106 -7.299 -14.583 -5.654 1.00 20.34 O ATOM 1501 OD2 ASP A 106 -7.152 -14.718 -7.822 1.00 32.14 O ATOM 0 H ASP A 106 -5.324 -10.681 -7.555 1.00 43.32 H new ATOM 0 HA ASP A 106 -4.659 -12.784 -5.658 1.00 30.42 H new ATOM 0 HB2 ASP A 106 -7.000 -12.091 -6.026 1.00 13.10 H new ATOM 0 HB3 ASP A 106 -6.812 -12.227 -7.763 1.00 13.10 H new ATOM 1506 N ASN A 107 -4.461 -13.150 -8.933 1.00 15.41 N ATOM 1507 CA ASN A 107 -3.931 -14.020 -9.985 1.00 44.44 C ATOM 1508 C ASN A 107 -3.322 -13.224 -11.131 1.00 13.32 C ATOM 1509 O ASN A 107 -2.970 -13.785 -12.166 1.00 64.51 O ATOM 1510 CB ASN A 107 -5.047 -14.939 -10.511 1.00 62.51 C ATOM 1511 CG ASN A 107 -6.192 -14.186 -11.178 1.00 63.42 C ATOM 1512 OD1 ASN A 107 -6.460 -13.010 -10.874 1.00 13.12 O ATOM 1513 ND2 ASN A 107 -6.888 -14.849 -12.054 1.00 33.43 N ATOM 0 H ASN A 107 -4.963 -12.330 -9.274 1.00 15.41 H new ATOM 0 HA ASN A 107 -3.134 -14.622 -9.549 1.00 44.44 H new ATOM 0 HB2 ASN A 107 -4.620 -15.643 -11.226 1.00 62.51 H new ATOM 0 HB3 ASN A 107 -5.443 -15.527 -9.683 1.00 62.51 H new ATOM 0 HD21 ASN A 107 -7.682 -14.406 -12.516 1.00 33.43 H new ATOM 0 HD22 ASN A 107 -6.640 -15.812 -12.279 1.00 33.43 H new ATOM 1520 N SER A 108 -3.228 -11.911 -10.939 1.00 33.54 N ATOM 1521 CA SER A 108 -2.605 -10.984 -11.884 1.00 72.52 C ATOM 1522 C SER A 108 -3.452 -10.778 -13.155 1.00 4.35 C ATOM 1523 O SER A 108 -3.010 -10.137 -14.102 1.00 32.03 O ATOM 1524 CB SER A 108 -1.149 -11.421 -12.205 1.00 23.23 C ATOM 1525 OG SER A 108 -0.494 -10.531 -13.103 1.00 43.43 O ATOM 0 H SER A 108 -3.590 -11.450 -10.104 1.00 33.54 H new ATOM 0 HA SER A 108 -2.557 -10.007 -11.402 1.00 72.52 H new ATOM 0 HB2 SER A 108 -0.579 -11.480 -11.278 1.00 23.23 H new ATOM 0 HB3 SER A 108 -1.161 -12.422 -12.636 1.00 23.23 H new ATOM 0 HG SER A 108 -1.151 -10.146 -13.720 1.00 43.43 H new ATOM 1531 N GLU A 109 -4.666 -11.294 -13.159 1.00 53.24 N ATOM 1532 CA GLU A 109 -5.544 -11.106 -14.290 1.00 71.03 C ATOM 1533 C GLU A 109 -6.278 -9.813 -14.164 1.00 22.23 C ATOM 1534 O GLU A 109 -6.574 -9.353 -13.043 1.00 25.21 O ATOM 1535 CB GLU A 109 -6.547 -12.238 -14.423 1.00 12.35 C ATOM 1536 CG GLU A 109 -5.932 -13.568 -14.757 1.00 55.31 C ATOM 1537 CD GLU A 109 -5.224 -13.548 -16.079 1.00 33.45 C ATOM 1538 OE1 GLU A 109 -5.888 -13.398 -17.132 1.00 64.02 O ATOM 1539 OE2 GLU A 109 -3.988 -13.666 -16.096 1.00 23.42 O ATOM 0 H GLU A 109 -5.062 -11.843 -12.396 1.00 53.24 H new ATOM 0 HA GLU A 109 -4.920 -11.095 -15.184 1.00 71.03 H new ATOM 0 HB2 GLU A 109 -7.100 -12.330 -13.488 1.00 12.35 H new ATOM 0 HB3 GLU A 109 -7.270 -11.980 -15.197 1.00 12.35 H new ATOM 0 HG2 GLU A 109 -5.228 -13.848 -13.974 1.00 55.31 H new ATOM 0 HG3 GLU A 109 -6.709 -14.332 -14.774 1.00 55.31 H new ATOM 1546 N LYS A 110 -6.569 -9.221 -15.277 1.00 61.22 N ATOM 1547 CA LYS A 110 -7.284 -8.006 -15.285 1.00 71.02 C ATOM 1548 C LYS A 110 -8.744 -8.274 -15.571 1.00 15.30 C ATOM 1549 O LYS A 110 -9.092 -9.143 -16.375 1.00 44.01 O ATOM 1550 CB LYS A 110 -6.673 -6.988 -16.248 1.00 54.44 C ATOM 1551 CG LYS A 110 -6.674 -7.371 -17.710 1.00 21.54 C ATOM 1552 CD LYS A 110 -5.955 -6.305 -18.514 1.00 51.02 C ATOM 1553 CE LYS A 110 -5.890 -6.635 -19.987 1.00 50.24 C ATOM 1554 NZ LYS A 110 -5.137 -5.600 -20.730 1.00 21.13 N ATOM 0 H LYS A 110 -6.314 -9.573 -16.200 1.00 61.22 H new ATOM 0 HA LYS A 110 -7.212 -7.552 -14.296 1.00 71.02 H new ATOM 0 HB2 LYS A 110 -7.212 -6.047 -16.140 1.00 54.44 H new ATOM 0 HB3 LYS A 110 -5.643 -6.802 -15.943 1.00 54.44 H new ATOM 0 HG2 LYS A 110 -6.184 -8.335 -17.844 1.00 21.54 H new ATOM 0 HG3 LYS A 110 -7.698 -7.482 -18.067 1.00 21.54 H new ATOM 0 HD2 LYS A 110 -6.463 -5.350 -18.381 1.00 51.02 H new ATOM 0 HD3 LYS A 110 -4.943 -6.184 -18.127 1.00 51.02 H new ATOM 0 HE2 LYS A 110 -5.414 -7.606 -20.125 1.00 50.24 H new ATOM 0 HE3 LYS A 110 -6.900 -6.715 -20.390 1.00 50.24 H new ATOM 0 HZ1 LYS A 110 -5.107 -5.850 -21.739 1.00 21.13 H new ATOM 0 HZ2 LYS A 110 -5.607 -4.679 -20.615 1.00 21.13 H new ATOM 0 HZ3 LYS A 110 -4.167 -5.542 -20.358 1.00 21.13 H new ATOM 1568 N MET A 111 -9.573 -7.556 -14.901 1.00 24.51 N ATOM 1569 CA MET A 111 -11.003 -7.727 -14.962 1.00 50.23 C ATOM 1570 C MET A 111 -11.689 -6.435 -15.089 1.00 72.10 C ATOM 1571 O MET A 111 -11.139 -5.393 -14.781 1.00 61.45 O ATOM 1572 CB MET A 111 -11.538 -8.408 -13.721 1.00 23.24 C ATOM 1573 CG MET A 111 -11.127 -9.831 -13.571 1.00 72.31 C ATOM 1574 SD MET A 111 -11.718 -10.568 -12.038 1.00 64.01 S ATOM 1575 CE MET A 111 -13.484 -10.354 -12.240 1.00 62.31 C ATOM 0 H MET A 111 -9.279 -6.808 -14.273 1.00 24.51 H new ATOM 0 HA MET A 111 -11.196 -8.346 -15.838 1.00 50.23 H new ATOM 0 HB2 MET A 111 -11.204 -7.852 -12.845 1.00 23.24 H new ATOM 0 HB3 MET A 111 -12.627 -8.357 -13.735 1.00 23.24 H new ATOM 0 HG2 MET A 111 -11.507 -10.406 -14.416 1.00 72.31 H new ATOM 0 HG3 MET A 111 -10.039 -9.896 -13.605 1.00 72.31 H new ATOM 0 HE1 MET A 111 -14.012 -11.034 -11.571 1.00 62.31 H new ATOM 0 HE2 MET A 111 -13.756 -9.326 -12.001 1.00 62.31 H new ATOM 0 HE3 MET A 111 -13.761 -10.572 -13.271 1.00 62.31 H new ATOM 1585 N ALA A 112 -12.882 -6.509 -15.519 1.00 35.14 N ATOM 1586 CA ALA A 112 -13.708 -5.353 -15.640 1.00 25.53 C ATOM 1587 C ALA A 112 -14.691 -5.327 -14.496 1.00 52.11 C ATOM 1588 O ALA A 112 -15.367 -6.336 -14.221 1.00 14.13 O ATOM 1589 CB ALA A 112 -14.433 -5.343 -16.965 1.00 64.10 C ATOM 0 H ALA A 112 -13.331 -7.379 -15.804 1.00 35.14 H new ATOM 0 HA ALA A 112 -13.082 -4.461 -15.601 1.00 25.53 H new ATOM 0 HB1 ALA A 112 -15.056 -4.451 -17.032 1.00 64.10 H new ATOM 0 HB2 ALA A 112 -13.706 -5.340 -17.777 1.00 64.10 H new ATOM 0 HB3 ALA A 112 -15.061 -6.231 -17.043 1.00 64.10 H new ATOM 1595 N VAL A 113 -14.768 -4.199 -13.836 1.00 43.23 N ATOM 1596 CA VAL A 113 -15.658 -3.996 -12.704 1.00 52.53 C ATOM 1597 C VAL A 113 -16.220 -2.594 -12.783 1.00 35.51 C ATOM 1598 O VAL A 113 -15.830 -1.814 -13.655 1.00 12.53 O ATOM 1599 CB VAL A 113 -14.934 -4.159 -11.323 1.00 42.32 C ATOM 1600 CG1 VAL A 113 -14.334 -5.545 -11.154 1.00 75.22 C ATOM 1601 CG2 VAL A 113 -13.876 -3.086 -11.127 1.00 41.21 C ATOM 0 H VAL A 113 -14.208 -3.379 -14.068 1.00 43.23 H new ATOM 0 HA VAL A 113 -16.438 -4.755 -12.760 1.00 52.53 H new ATOM 0 HB VAL A 113 -15.693 -4.036 -10.550 1.00 42.32 H new ATOM 0 HG11 VAL A 113 -13.843 -5.613 -10.183 1.00 75.22 H new ATOM 0 HG12 VAL A 113 -15.124 -6.293 -11.214 1.00 75.22 H new ATOM 0 HG13 VAL A 113 -13.604 -5.724 -11.943 1.00 75.22 H new ATOM 0 HG21 VAL A 113 -13.391 -3.225 -10.161 1.00 41.21 H new ATOM 0 HG22 VAL A 113 -13.132 -3.160 -11.920 1.00 41.21 H new ATOM 0 HG23 VAL A 113 -14.345 -2.103 -11.159 1.00 41.21 H new ATOM 1611 N LYS A 114 -17.131 -2.267 -11.919 1.00 42.24 N ATOM 1612 CA LYS A 114 -17.649 -0.922 -11.883 1.00 62.34 C ATOM 1613 C LYS A 114 -17.111 -0.215 -10.662 1.00 64.14 C ATOM 1614 O LYS A 114 -16.806 -0.854 -9.660 1.00 4.05 O ATOM 1615 CB LYS A 114 -19.201 -0.866 -11.896 1.00 71.04 C ATOM 1616 CG LYS A 114 -19.874 -1.463 -13.141 1.00 50.45 C ATOM 1617 CD LYS A 114 -19.799 -2.985 -13.171 1.00 13.22 C ATOM 1618 CE LYS A 114 -20.364 -3.549 -14.460 1.00 61.04 C ATOM 1619 NZ LYS A 114 -19.545 -3.167 -15.641 1.00 70.52 N ATOM 0 H LYS A 114 -17.533 -2.904 -11.231 1.00 42.24 H new ATOM 0 HA LYS A 114 -17.317 -0.420 -12.791 1.00 62.34 H new ATOM 0 HB2 LYS A 114 -19.573 -1.391 -11.016 1.00 71.04 H new ATOM 0 HB3 LYS A 114 -19.510 0.175 -11.801 1.00 71.04 H new ATOM 0 HG2 LYS A 114 -20.919 -1.153 -13.169 1.00 50.45 H new ATOM 0 HG3 LYS A 114 -19.398 -1.061 -14.035 1.00 50.45 H new ATOM 0 HD2 LYS A 114 -18.762 -3.300 -13.060 1.00 13.22 H new ATOM 0 HD3 LYS A 114 -20.349 -3.393 -12.323 1.00 13.22 H new ATOM 0 HE2 LYS A 114 -20.414 -4.636 -14.389 1.00 61.04 H new ATOM 0 HE3 LYS A 114 -21.385 -3.191 -14.596 1.00 61.04 H new ATOM 0 HZ1 LYS A 114 -19.246 -4.024 -16.148 1.00 70.52 H new ATOM 0 HZ2 LYS A 114 -20.110 -2.569 -16.277 1.00 70.52 H new ATOM 0 HZ3 LYS A 114 -18.705 -2.640 -15.326 1.00 70.52 H new ATOM 1633 N THR A 115 -16.963 1.072 -10.746 1.00 35.03 N ATOM 1634 CA THR A 115 -16.522 1.847 -9.622 1.00 71.44 C ATOM 1635 C THR A 115 -17.236 3.180 -9.659 1.00 21.32 C ATOM 1636 O THR A 115 -17.914 3.506 -10.645 1.00 51.43 O ATOM 1637 CB THR A 115 -14.969 2.079 -9.615 1.00 11.12 C ATOM 1638 OG1 THR A 115 -14.563 2.685 -8.372 1.00 61.32 O ATOM 1639 CG2 THR A 115 -14.557 3.008 -10.747 1.00 1.44 C ATOM 0 H THR A 115 -17.143 1.615 -11.591 1.00 35.03 H new ATOM 0 HA THR A 115 -16.759 1.294 -8.713 1.00 71.44 H new ATOM 0 HB THR A 115 -14.489 1.108 -9.740 1.00 11.12 H new ATOM 0 HG1 THR A 115 -14.709 2.054 -7.637 1.00 61.32 H new ATOM 0 HG21 THR A 115 -13.477 3.154 -10.723 1.00 1.44 H new ATOM 0 HG22 THR A 115 -14.842 2.566 -11.702 1.00 1.44 H new ATOM 0 HG23 THR A 115 -15.056 3.970 -10.629 1.00 1.44 H new ATOM 1647 N TYR A 116 -17.091 3.933 -8.617 1.00 5.24 N ATOM 1648 CA TYR A 116 -17.688 5.222 -8.526 1.00 71.44 C ATOM 1649 C TYR A 116 -16.597 6.246 -8.411 1.00 50.24 C ATOM 1650 O TYR A 116 -15.759 6.174 -7.506 1.00 34.22 O ATOM 1651 CB TYR A 116 -18.623 5.287 -7.325 1.00 60.52 C ATOM 1652 CG TYR A 116 -19.704 4.240 -7.363 1.00 53.30 C ATOM 1653 CD1 TYR A 116 -19.460 2.954 -6.902 1.00 41.21 C ATOM 1654 CD2 TYR A 116 -20.957 4.527 -7.873 1.00 22.14 C ATOM 1655 CE1 TYR A 116 -20.439 1.986 -6.946 1.00 35.51 C ATOM 1656 CE2 TYR A 116 -21.939 3.566 -7.922 1.00 45.13 C ATOM 1657 CZ TYR A 116 -21.675 2.296 -7.455 1.00 1.13 C ATOM 1658 OH TYR A 116 -22.643 1.330 -7.517 1.00 43.03 O ATOM 0 H TYR A 116 -16.548 3.665 -7.796 1.00 5.24 H new ATOM 0 HA TYR A 116 -18.281 5.423 -9.418 1.00 71.44 H new ATOM 0 HB2 TYR A 116 -18.041 5.167 -6.411 1.00 60.52 H new ATOM 0 HB3 TYR A 116 -19.083 6.274 -7.283 1.00 60.52 H new ATOM 0 HD1 TYR A 116 -18.487 2.708 -6.502 1.00 41.21 H new ATOM 0 HD2 TYR A 116 -21.167 5.521 -8.238 1.00 22.14 H new ATOM 0 HE1 TYR A 116 -20.235 0.990 -6.582 1.00 35.51 H new ATOM 0 HE2 TYR A 116 -22.912 3.805 -8.324 1.00 45.13 H new ATOM 0 HH TYR A 116 -22.288 0.488 -7.162 1.00 43.03 H new ATOM 1668 N MET A 117 -16.570 7.163 -9.331 1.00 1.43 N ATOM 1669 CA MET A 117 -15.554 8.183 -9.335 1.00 51.42 C ATOM 1670 C MET A 117 -16.169 9.544 -9.130 1.00 2.20 C ATOM 1671 O MET A 117 -17.365 9.748 -9.414 1.00 41.34 O ATOM 1672 CB MET A 117 -14.682 8.151 -10.608 1.00 63.33 C ATOM 1673 CG MET A 117 -15.416 8.442 -11.881 1.00 22.12 C ATOM 1674 SD MET A 117 -14.341 8.444 -13.318 1.00 21.02 S ATOM 1675 CE MET A 117 -15.552 8.697 -14.602 1.00 3.41 C ATOM 0 H MET A 117 -17.243 7.229 -10.095 1.00 1.43 H new ATOM 0 HA MET A 117 -14.886 7.972 -8.500 1.00 51.42 H new ATOM 0 HB2 MET A 117 -13.875 8.875 -10.497 1.00 63.33 H new ATOM 0 HB3 MET A 117 -14.219 7.168 -10.689 1.00 63.33 H new ATOM 0 HG2 MET A 117 -16.201 7.698 -12.021 1.00 22.12 H new ATOM 0 HG3 MET A 117 -15.907 9.412 -11.799 1.00 22.12 H new ATOM 0 HE1 MET A 117 -15.480 7.892 -15.334 1.00 3.41 H new ATOM 0 HE2 MET A 117 -16.550 8.702 -14.165 1.00 3.41 H new ATOM 0 HE3 MET A 117 -15.367 9.652 -15.094 1.00 3.41 H new ATOM 1685 N TRP A 118 -15.372 10.447 -8.620 1.00 15.11 N ATOM 1686 CA TRP A 118 -15.783 11.792 -8.322 1.00 72.02 C ATOM 1687 C TRP A 118 -15.937 12.555 -9.628 1.00 12.02 C ATOM 1688 O TRP A 118 -15.005 12.607 -10.435 1.00 51.34 O ATOM 1689 CB TRP A 118 -14.733 12.445 -7.425 1.00 51.02 C ATOM 1690 CG TRP A 118 -15.159 13.732 -6.832 1.00 21.42 C ATOM 1691 CD1 TRP A 118 -14.655 14.963 -7.070 1.00 45.24 C ATOM 1692 CD2 TRP A 118 -16.201 13.899 -5.892 1.00 1.23 C ATOM 1693 NE1 TRP A 118 -15.328 15.888 -6.326 1.00 52.43 N ATOM 1694 CE2 TRP A 118 -16.283 15.258 -5.590 1.00 21.14 C ATOM 1695 CE3 TRP A 118 -17.072 13.022 -5.278 1.00 21.02 C ATOM 1696 CZ2 TRP A 118 -17.212 15.767 -4.687 1.00 70.21 C ATOM 1697 CZ3 TRP A 118 -17.984 13.507 -4.396 1.00 32.05 C ATOM 1698 CH2 TRP A 118 -18.059 14.872 -4.098 1.00 70.13 C ATOM 0 H TRP A 118 -14.395 10.261 -8.395 1.00 15.11 H new ATOM 0 HA TRP A 118 -16.738 11.799 -7.797 1.00 72.02 H new ATOM 0 HB2 TRP A 118 -14.477 11.754 -6.621 1.00 51.02 H new ATOM 0 HB3 TRP A 118 -13.825 12.608 -8.006 1.00 51.02 H new ATOM 0 HD1 TRP A 118 -13.842 15.182 -7.747 1.00 45.24 H new ATOM 0 HE1 TRP A 118 -15.144 16.891 -6.322 1.00 52.43 H new ATOM 0 HE3 TRP A 118 -17.029 11.965 -5.496 1.00 21.02 H new ATOM 0 HZ2 TRP A 118 -17.261 16.822 -4.462 1.00 70.21 H new ATOM 0 HZ3 TRP A 118 -18.667 12.823 -3.914 1.00 32.05 H new ATOM 0 HH2 TRP A 118 -18.797 15.223 -3.392 1.00 70.13 H new ATOM 1709 N ILE A 119 -17.102 13.129 -9.838 1.00 60.31 N ATOM 1710 CA ILE A 119 -17.417 13.752 -11.120 1.00 44.40 C ATOM 1711 C ILE A 119 -16.678 15.085 -11.326 1.00 22.44 C ATOM 1712 O ILE A 119 -16.162 15.354 -12.421 1.00 13.12 O ATOM 1713 CB ILE A 119 -18.968 13.960 -11.386 1.00 55.04 C ATOM 1714 CG1 ILE A 119 -19.781 12.659 -11.288 1.00 1.44 C ATOM 1715 CG2 ILE A 119 -19.186 14.536 -12.757 1.00 33.32 C ATOM 1716 CD1 ILE A 119 -19.955 12.124 -9.907 1.00 71.20 C ATOM 0 H ILE A 119 -17.849 13.181 -9.145 1.00 60.31 H new ATOM 0 HA ILE A 119 -17.061 13.027 -11.852 1.00 44.40 H new ATOM 0 HB ILE A 119 -19.315 14.639 -10.607 1.00 55.04 H new ATOM 0 HG12 ILE A 119 -20.766 12.831 -11.721 1.00 1.44 H new ATOM 0 HG13 ILE A 119 -19.294 11.898 -11.897 1.00 1.44 H new ATOM 0 HG21 ILE A 119 -20.254 14.674 -12.928 1.00 33.32 H new ATOM 0 HG22 ILE A 119 -18.679 15.498 -12.832 1.00 33.32 H new ATOM 0 HG23 ILE A 119 -18.784 13.854 -13.506 1.00 33.32 H new ATOM 0 HD11 ILE A 119 -20.541 11.206 -9.944 1.00 71.20 H new ATOM 0 HD12 ILE A 119 -18.978 11.913 -9.473 1.00 71.20 H new ATOM 0 HD13 ILE A 119 -20.473 12.861 -9.294 1.00 71.20 H new ATOM 1728 N ASN A 120 -16.609 15.899 -10.281 1.00 53.05 N ATOM 1729 CA ASN A 120 -16.008 17.244 -10.402 1.00 33.00 C ATOM 1730 C ASN A 120 -14.494 17.171 -10.609 1.00 33.15 C ATOM 1731 O ASN A 120 -13.935 17.927 -11.391 1.00 72.25 O ATOM 1732 CB ASN A 120 -16.329 18.111 -9.188 1.00 33.55 C ATOM 1733 CG ASN A 120 -15.809 19.544 -9.327 1.00 14.52 C ATOM 1734 OD1 ASN A 120 -15.748 20.096 -10.421 1.00 10.45 O ATOM 1735 ND2 ASN A 120 -15.410 20.129 -8.238 1.00 34.23 N ATOM 0 H ASN A 120 -16.953 15.668 -9.349 1.00 53.05 H new ATOM 0 HA ASN A 120 -16.451 17.707 -11.284 1.00 33.00 H new ATOM 0 HB2 ASN A 120 -17.409 18.134 -9.039 1.00 33.55 H new ATOM 0 HB3 ASN A 120 -15.894 17.657 -8.298 1.00 33.55 H new ATOM 0 HD21 ASN A 120 -15.032 21.076 -8.277 1.00 34.23 H new ATOM 0 HD22 ASN A 120 -15.475 19.642 -7.344 1.00 34.23 H new ATOM 1742 N LYS A 121 -13.847 16.255 -9.886 1.00 63.22 N ATOM 1743 CA LYS A 121 -12.387 15.978 -9.998 1.00 41.33 C ATOM 1744 C LYS A 121 -11.477 17.129 -9.471 1.00 72.12 C ATOM 1745 O LYS A 121 -10.257 16.967 -9.421 1.00 62.34 O ATOM 1746 CB LYS A 121 -11.995 15.681 -11.469 1.00 20.10 C ATOM 1747 CG LYS A 121 -12.731 14.525 -12.138 1.00 63.11 C ATOM 1748 CD LYS A 121 -12.355 14.454 -13.611 1.00 41.42 C ATOM 1749 CE LYS A 121 -13.070 13.332 -14.354 1.00 62.10 C ATOM 1750 NZ LYS A 121 -12.722 13.334 -15.797 1.00 43.45 N ATOM 0 H LYS A 121 -14.315 15.670 -9.194 1.00 63.22 H new ATOM 0 HA LYS A 121 -12.217 15.109 -9.363 1.00 41.33 H new ATOM 0 HB2 LYS A 121 -12.164 16.582 -12.058 1.00 20.10 H new ATOM 0 HB3 LYS A 121 -10.926 15.473 -11.504 1.00 20.10 H new ATOM 0 HG2 LYS A 121 -12.478 13.587 -11.644 1.00 63.11 H new ATOM 0 HG3 LYS A 121 -13.808 14.660 -12.035 1.00 63.11 H new ATOM 0 HD2 LYS A 121 -12.591 15.406 -14.087 1.00 41.42 H new ATOM 0 HD3 LYS A 121 -11.278 14.312 -13.699 1.00 41.42 H new ATOM 0 HE2 LYS A 121 -12.800 12.372 -13.914 1.00 62.10 H new ATOM 0 HE3 LYS A 121 -14.148 13.445 -14.237 1.00 62.10 H new ATOM 0 HZ1 LYS A 121 -13.224 12.559 -16.276 1.00 43.45 H new ATOM 0 HZ2 LYS A 121 -13.002 14.242 -16.220 1.00 43.45 H new ATOM 0 HZ3 LYS A 121 -11.696 13.202 -15.907 1.00 43.45 H new ATOM 1764 N ALA A 122 -12.043 18.265 -9.061 1.00 10.31 N ATOM 1765 CA ALA A 122 -11.192 19.421 -8.733 1.00 62.23 C ATOM 1766 C ALA A 122 -11.462 20.061 -7.362 1.00 53.04 C ATOM 1767 O ALA A 122 -10.958 21.150 -7.081 1.00 35.43 O ATOM 1768 CB ALA A 122 -11.317 20.466 -9.832 1.00 73.15 C ATOM 0 H ALA A 122 -13.046 18.413 -8.949 1.00 10.31 H new ATOM 0 HA ALA A 122 -10.175 19.034 -8.669 1.00 62.23 H new ATOM 0 HB1 ALA A 122 -10.688 21.323 -9.592 1.00 73.15 H new ATOM 0 HB2 ALA A 122 -10.997 20.036 -10.781 1.00 73.15 H new ATOM 0 HB3 ALA A 122 -12.355 20.788 -9.911 1.00 73.15 H new ATOM 1774 N ASP A 123 -12.217 19.392 -6.509 1.00 71.21 N ATOM 1775 CA ASP A 123 -12.527 19.940 -5.166 1.00 42.13 C ATOM 1776 C ASP A 123 -11.285 20.002 -4.294 1.00 20.20 C ATOM 1777 O ASP A 123 -10.561 19.020 -4.178 1.00 1.00 O ATOM 1778 CB ASP A 123 -13.617 19.127 -4.463 1.00 54.14 C ATOM 1779 CG ASP A 123 -14.910 19.168 -5.208 1.00 44.12 C ATOM 1780 OD1 ASP A 123 -15.033 18.457 -6.201 1.00 21.03 O ATOM 1781 OD2 ASP A 123 -15.816 19.927 -4.830 1.00 13.13 O ATOM 0 H ASP A 123 -12.630 18.480 -6.702 1.00 71.21 H new ATOM 0 HA ASP A 123 -12.898 20.954 -5.317 1.00 42.13 H new ATOM 0 HB2 ASP A 123 -13.289 18.092 -4.361 1.00 54.14 H new ATOM 0 HB3 ASP A 123 -13.766 19.515 -3.455 1.00 54.14 H new ATOM 1786 N PRO A 124 -11.026 21.160 -3.654 1.00 72.10 N ATOM 1787 CA PRO A 124 -9.828 21.378 -2.815 1.00 72.41 C ATOM 1788 C PRO A 124 -9.885 20.667 -1.449 1.00 43.24 C ATOM 1789 O PRO A 124 -9.094 20.956 -0.549 1.00 24.54 O ATOM 1790 CB PRO A 124 -9.812 22.890 -2.624 1.00 51.01 C ATOM 1791 CG PRO A 124 -11.241 23.288 -2.701 1.00 73.24 C ATOM 1792 CD PRO A 124 -11.870 22.372 -3.714 1.00 24.23 C ATOM 0 HA PRO A 124 -8.936 20.969 -3.289 1.00 72.41 H new ATOM 0 HB2 PRO A 124 -9.374 23.165 -1.664 1.00 51.01 H new ATOM 0 HB3 PRO A 124 -9.221 23.382 -3.396 1.00 51.01 H new ATOM 0 HG2 PRO A 124 -11.727 23.189 -1.730 1.00 73.24 H new ATOM 0 HG3 PRO A 124 -11.340 24.331 -3.002 1.00 73.24 H new ATOM 0 HD2 PRO A 124 -12.908 22.151 -3.465 1.00 24.23 H new ATOM 0 HD3 PRO A 124 -11.868 22.814 -4.711 1.00 24.23 H new ATOM 1800 N ASP A 125 -10.806 19.751 -1.293 1.00 52.21 N ATOM 1801 CA ASP A 125 -10.879 18.962 -0.070 1.00 30.25 C ATOM 1802 C ASP A 125 -10.047 17.719 -0.196 1.00 42.32 C ATOM 1803 O ASP A 125 -9.799 17.006 0.788 1.00 72.20 O ATOM 1804 CB ASP A 125 -12.308 18.611 0.314 1.00 32.54 C ATOM 1805 CG ASP A 125 -13.087 19.794 0.795 1.00 53.20 C ATOM 1806 OD1 ASP A 125 -12.940 20.157 1.973 1.00 54.11 O ATOM 1807 OD2 ASP A 125 -13.854 20.375 0.017 1.00 12.24 O ATOM 0 H ASP A 125 -11.517 19.527 -1.989 1.00 52.21 H new ATOM 0 HA ASP A 125 -10.478 19.581 0.732 1.00 30.25 H new ATOM 0 HB2 ASP A 125 -12.814 18.175 -0.547 1.00 32.54 H new ATOM 0 HB3 ASP A 125 -12.293 17.850 1.094 1.00 32.54 H new ATOM 1812 N MET A 126 -9.622 17.456 -1.401 1.00 50.21 N ATOM 1813 CA MET A 126 -8.778 16.348 -1.694 1.00 11.12 C ATOM 1814 C MET A 126 -7.731 16.772 -2.697 1.00 64.34 C ATOM 1815 O MET A 126 -7.985 17.618 -3.543 1.00 45.43 O ATOM 1816 CB MET A 126 -9.604 15.112 -2.155 1.00 64.22 C ATOM 1817 CG MET A 126 -10.566 15.328 -3.336 1.00 33.23 C ATOM 1818 SD MET A 126 -9.775 15.684 -4.912 1.00 1.44 S ATOM 1819 CE MET A 126 -11.211 15.895 -5.943 1.00 14.41 C ATOM 0 H MET A 126 -9.861 18.020 -2.216 1.00 50.21 H new ATOM 0 HA MET A 126 -8.261 16.030 -0.789 1.00 11.12 H new ATOM 0 HB2 MET A 126 -8.908 14.318 -2.424 1.00 64.22 H new ATOM 0 HB3 MET A 126 -10.184 14.753 -1.305 1.00 64.22 H new ATOM 0 HG2 MET A 126 -11.182 14.436 -3.450 1.00 33.23 H new ATOM 0 HG3 MET A 126 -11.238 16.150 -3.091 1.00 33.23 H new ATOM 0 HE1 MET A 126 -11.219 15.128 -6.717 1.00 14.41 H new ATOM 0 HE2 MET A 126 -12.111 15.806 -5.335 1.00 14.41 H new ATOM 0 HE3 MET A 126 -11.183 16.880 -6.409 1.00 14.41 H new ATOM 2066 N LYS A 140 0.637 10.656 18.163 1.00 13.40 N ATOM 2067 CA LYS A 140 1.475 11.279 19.172 1.00 54.24 C ATOM 2068 C LYS A 140 0.731 11.309 20.496 1.00 65.35 C ATOM 2069 O LYS A 140 1.272 10.946 21.529 1.00 70.25 O ATOM 2070 CB LYS A 140 1.798 12.708 18.728 1.00 15.23 C ATOM 2071 CG LYS A 140 2.635 13.522 19.694 1.00 21.03 C ATOM 2072 CD LYS A 140 2.824 14.927 19.163 1.00 44.43 C ATOM 2073 CE LYS A 140 3.683 15.760 20.084 1.00 14.43 C ATOM 2074 NZ LYS A 140 3.823 17.147 19.598 1.00 52.14 N ATOM 0 HA LYS A 140 2.399 10.713 19.294 1.00 54.24 H new ATOM 0 HB2 LYS A 140 2.320 12.663 17.772 1.00 15.23 H new ATOM 0 HB3 LYS A 140 0.860 13.236 18.554 1.00 15.23 H new ATOM 0 HG2 LYS A 140 2.149 13.556 20.669 1.00 21.03 H new ATOM 0 HG3 LYS A 140 3.605 13.046 19.838 1.00 21.03 H new ATOM 0 HD2 LYS A 140 3.284 14.884 18.176 1.00 44.43 H new ATOM 0 HD3 LYS A 140 1.852 15.404 19.041 1.00 44.43 H new ATOM 0 HE2 LYS A 140 3.245 15.767 21.082 1.00 14.43 H new ATOM 0 HE3 LYS A 140 4.669 15.304 20.172 1.00 14.43 H new ATOM 0 HZ1 LYS A 140 4.419 17.687 20.257 1.00 52.14 H new ATOM 0 HZ2 LYS A 140 4.264 17.142 18.656 1.00 52.14 H new ATOM 0 HZ3 LYS A 140 2.884 17.590 19.538 1.00 52.14 H new ATOM 2088 N LYS A 141 -0.533 11.710 20.415 1.00 51.34 N ATOM 2089 CA LYS A 141 -1.463 11.860 21.546 1.00 71.04 C ATOM 2090 C LYS A 141 -1.455 10.626 22.450 1.00 32.25 C ATOM 2091 O LYS A 141 -1.495 10.745 23.684 1.00 51.05 O ATOM 2092 CB LYS A 141 -2.881 12.084 20.974 1.00 51.24 C ATOM 2093 CG LYS A 141 -4.009 12.215 21.987 1.00 14.33 C ATOM 2094 CD LYS A 141 -3.867 13.443 22.854 1.00 31.53 C ATOM 2095 CE LYS A 141 -5.020 13.541 23.836 1.00 12.22 C ATOM 2096 NZ LYS A 141 -4.908 14.721 24.710 1.00 12.02 N ATOM 0 H LYS A 141 -0.964 11.952 19.523 1.00 51.34 H new ATOM 0 HA LYS A 141 -1.151 12.709 22.155 1.00 71.04 H new ATOM 0 HB2 LYS A 141 -2.864 12.987 20.364 1.00 51.24 H new ATOM 0 HB3 LYS A 141 -3.115 11.254 20.308 1.00 51.24 H new ATOM 0 HG2 LYS A 141 -4.963 12.254 21.461 1.00 14.33 H new ATOM 0 HG3 LYS A 141 -4.030 11.328 22.620 1.00 14.33 H new ATOM 0 HD2 LYS A 141 -2.923 13.404 23.397 1.00 31.53 H new ATOM 0 HD3 LYS A 141 -3.839 14.335 22.228 1.00 31.53 H new ATOM 0 HE2 LYS A 141 -5.960 13.586 23.286 1.00 12.22 H new ATOM 0 HE3 LYS A 141 -5.051 12.640 24.448 1.00 12.22 H new ATOM 0 HZ1 LYS A 141 -5.716 14.747 25.364 1.00 12.02 H new ATOM 0 HZ2 LYS A 141 -4.024 14.667 25.255 1.00 12.02 H new ATOM 0 HZ3 LYS A 141 -4.904 15.584 24.129 1.00 12.02 H new ATOM 2110 N LYS A 142 -1.384 9.463 21.834 1.00 52.24 N ATOM 2111 CA LYS A 142 -1.369 8.213 22.553 1.00 41.45 C ATOM 2112 C LYS A 142 -0.110 8.091 23.424 1.00 23.24 C ATOM 2113 O LYS A 142 -0.178 7.633 24.567 1.00 54.11 O ATOM 2114 CB LYS A 142 -1.487 7.046 21.578 1.00 41.45 C ATOM 2115 CG LYS A 142 -1.549 5.682 22.244 1.00 22.35 C ATOM 2116 CD LYS A 142 -1.726 4.566 21.233 1.00 23.10 C ATOM 2117 CE LYS A 142 -3.028 4.714 20.449 1.00 10.24 C ATOM 2118 NZ LYS A 142 -3.214 3.613 19.492 1.00 51.43 N ATOM 0 H LYS A 142 -1.335 9.362 20.820 1.00 52.24 H new ATOM 0 HA LYS A 142 -2.228 8.187 23.223 1.00 41.45 H new ATOM 0 HB2 LYS A 142 -2.382 7.183 20.972 1.00 41.45 H new ATOM 0 HB3 LYS A 142 -0.635 7.068 20.898 1.00 41.45 H new ATOM 0 HG2 LYS A 142 -0.635 5.514 22.813 1.00 22.35 H new ATOM 0 HG3 LYS A 142 -2.375 5.662 22.955 1.00 22.35 H new ATOM 0 HD2 LYS A 142 -0.883 4.565 20.542 1.00 23.10 H new ATOM 0 HD3 LYS A 142 -1.718 3.605 21.747 1.00 23.10 H new ATOM 0 HE2 LYS A 142 -3.869 4.740 21.142 1.00 10.24 H new ATOM 0 HE3 LYS A 142 -3.025 5.664 19.915 1.00 10.24 H new ATOM 0 HZ1 LYS A 142 -4.108 3.747 18.978 1.00 51.43 H new ATOM 0 HZ2 LYS A 142 -2.424 3.604 18.816 1.00 51.43 H new ATOM 0 HZ3 LYS A 142 -3.242 2.708 20.005 1.00 51.43 H new ATOM 2132 N PHE A 143 1.021 8.529 22.896 1.00 64.44 N ATOM 2133 CA PHE A 143 2.277 8.489 23.636 1.00 25.22 C ATOM 2134 C PHE A 143 2.295 9.604 24.662 1.00 34.13 C ATOM 2135 O PHE A 143 2.881 9.467 25.739 1.00 73.41 O ATOM 2136 CB PHE A 143 3.492 8.633 22.714 1.00 32.45 C ATOM 2137 CG PHE A 143 3.564 7.612 21.623 1.00 72.32 C ATOM 2138 CD1 PHE A 143 3.690 6.268 21.917 1.00 5.30 C ATOM 2139 CD2 PHE A 143 3.496 7.999 20.302 1.00 20.24 C ATOM 2140 CE1 PHE A 143 3.748 5.330 20.909 1.00 75.14 C ATOM 2141 CE2 PHE A 143 3.554 7.068 19.292 1.00 73.31 C ATOM 2142 CZ PHE A 143 3.679 5.730 19.593 1.00 54.52 C ATOM 0 H PHE A 143 1.098 8.918 21.956 1.00 64.44 H new ATOM 0 HA PHE A 143 2.341 7.517 24.126 1.00 25.22 H new ATOM 0 HB2 PHE A 143 3.477 9.626 22.265 1.00 32.45 H new ATOM 0 HB3 PHE A 143 4.399 8.569 23.315 1.00 32.45 H new ATOM 0 HD1 PHE A 143 3.744 5.949 22.947 1.00 5.30 H new ATOM 0 HD2 PHE A 143 3.396 9.046 20.057 1.00 20.24 H new ATOM 0 HE1 PHE A 143 3.847 4.282 21.151 1.00 75.14 H new ATOM 0 HE2 PHE A 143 3.501 7.386 18.261 1.00 73.31 H new ATOM 0 HZ PHE A 143 3.723 4.998 18.801 1.00 54.52 H new ATOM 2152 N ILE A 144 1.646 10.707 24.314 1.00 15.20 N ATOM 2153 CA ILE A 144 1.573 11.879 25.167 1.00 63.32 C ATOM 2154 C ILE A 144 0.985 11.546 26.543 1.00 43.22 C ATOM 2155 O ILE A 144 1.400 12.105 27.515 1.00 4.22 O ATOM 2156 CB ILE A 144 0.835 13.086 24.485 1.00 3.12 C ATOM 2157 CG1 ILE A 144 1.542 13.475 23.184 1.00 14.30 C ATOM 2158 CG2 ILE A 144 0.774 14.302 25.397 1.00 55.21 C ATOM 2159 CD1 ILE A 144 3.003 13.861 23.352 1.00 13.20 C ATOM 0 H ILE A 144 1.154 10.811 23.427 1.00 15.20 H new ATOM 0 HA ILE A 144 2.600 12.207 25.326 1.00 63.32 H new ATOM 0 HB ILE A 144 -0.184 12.760 24.275 1.00 3.12 H new ATOM 0 HG12 ILE A 144 1.478 12.640 22.487 1.00 14.30 H new ATOM 0 HG13 ILE A 144 1.008 14.310 22.731 1.00 14.30 H new ATOM 0 HG21 ILE A 144 0.256 15.114 24.887 1.00 55.21 H new ATOM 0 HG22 ILE A 144 0.237 14.045 26.310 1.00 55.21 H new ATOM 0 HG23 ILE A 144 1.786 14.619 25.649 1.00 55.21 H new ATOM 0 HD11 ILE A 144 3.424 14.121 22.381 1.00 13.20 H new ATOM 0 HD12 ILE A 144 3.078 14.718 24.022 1.00 13.20 H new ATOM 0 HD13 ILE A 144 3.555 13.021 23.774 1.00 13.20 H new ATOM 2171 N GLU A 145 0.052 10.597 26.617 1.00 73.21 N ATOM 2172 CA GLU A 145 -0.476 10.160 27.933 1.00 43.40 C ATOM 2173 C GLU A 145 0.639 9.655 28.859 1.00 55.34 C ATOM 2174 O GLU A 145 0.568 9.806 30.074 1.00 44.13 O ATOM 2175 CB GLU A 145 -1.579 9.111 27.795 1.00 52.42 C ATOM 2176 CG GLU A 145 -2.886 9.665 27.272 1.00 21.22 C ATOM 2177 CD GLU A 145 -3.448 10.723 28.202 1.00 71.14 C ATOM 2178 OE1 GLU A 145 -4.100 10.372 29.215 1.00 60.21 O ATOM 2179 OE2 GLU A 145 -3.237 11.909 27.947 1.00 53.35 O ATOM 0 H GLU A 145 -0.352 10.120 25.811 1.00 73.21 H new ATOM 0 HA GLU A 145 -0.918 11.044 28.392 1.00 43.40 H new ATOM 0 HB2 GLU A 145 -1.236 8.322 27.126 1.00 52.42 H new ATOM 0 HB3 GLU A 145 -1.753 8.651 28.767 1.00 52.42 H new ATOM 0 HG2 GLU A 145 -2.731 10.093 26.282 1.00 21.22 H new ATOM 0 HG3 GLU A 145 -3.608 8.856 27.160 1.00 21.22 H new ATOM 2186 N THR A 146 1.664 9.086 28.276 1.00 11.45 N ATOM 2187 CA THR A 146 2.800 8.638 29.024 1.00 14.42 C ATOM 2188 C THR A 146 3.719 9.851 29.318 1.00 73.33 C ATOM 2189 O THR A 146 4.216 10.029 30.434 1.00 13.13 O ATOM 2190 CB THR A 146 3.561 7.566 28.217 1.00 71.23 C ATOM 2191 OG1 THR A 146 2.637 6.510 27.862 1.00 32.24 O ATOM 2192 CG2 THR A 146 4.715 6.981 29.022 1.00 64.02 C ATOM 0 H THR A 146 1.730 8.923 27.271 1.00 11.45 H new ATOM 0 HA THR A 146 2.477 8.197 29.967 1.00 14.42 H new ATOM 0 HB THR A 146 3.976 8.030 27.323 1.00 71.23 H new ATOM 0 HG1 THR A 146 3.108 5.822 27.347 1.00 32.24 H new ATOM 0 HG21 THR A 146 5.231 6.229 28.425 1.00 64.02 H new ATOM 0 HG22 THR A 146 5.413 7.775 29.287 1.00 64.02 H new ATOM 0 HG23 THR A 146 4.328 6.520 29.931 1.00 64.02 H new ATOM 2200 N PHE A 147 3.889 10.698 28.311 1.00 24.15 N ATOM 2201 CA PHE A 147 4.745 11.867 28.413 1.00 13.21 C ATOM 2202 C PHE A 147 4.225 12.973 29.296 1.00 24.00 C ATOM 2203 O PHE A 147 5.008 13.689 29.875 1.00 3.14 O ATOM 2204 CB PHE A 147 5.218 12.378 27.063 1.00 61.44 C ATOM 2205 CG PHE A 147 6.233 11.481 26.465 1.00 15.43 C ATOM 2206 CD1 PHE A 147 7.505 11.477 26.982 1.00 11.04 C ATOM 2207 CD2 PHE A 147 5.930 10.635 25.417 1.00 2.43 C ATOM 2208 CE1 PHE A 147 8.468 10.657 26.482 1.00 41.24 C ATOM 2209 CE2 PHE A 147 6.897 9.800 24.894 1.00 25.21 C ATOM 2210 CZ PHE A 147 8.173 9.810 25.431 1.00 14.42 C ATOM 0 H PHE A 147 3.437 10.592 27.403 1.00 24.15 H new ATOM 0 HA PHE A 147 5.623 11.493 28.939 1.00 13.21 H new ATOM 0 HB2 PHE A 147 4.367 12.466 26.388 1.00 61.44 H new ATOM 0 HB3 PHE A 147 5.638 13.377 27.178 1.00 61.44 H new ATOM 0 HD1 PHE A 147 7.745 12.138 27.802 1.00 11.04 H new ATOM 0 HD2 PHE A 147 4.932 10.626 25.004 1.00 2.43 H new ATOM 0 HE1 PHE A 147 9.461 10.668 26.906 1.00 41.24 H new ATOM 0 HE2 PHE A 147 6.659 9.143 24.071 1.00 25.21 H new ATOM 0 HZ PHE A 147 8.935 9.158 25.030 1.00 14.42 H new ATOM 2220 N LYS A 148 2.917 13.117 29.401 1.00 70.10 N ATOM 2221 CA LYS A 148 2.321 14.118 30.286 1.00 12.25 C ATOM 2222 C LYS A 148 2.818 13.943 31.702 1.00 12.33 C ATOM 2223 O LYS A 148 3.111 14.901 32.375 1.00 22.33 O ATOM 2224 CB LYS A 148 0.793 14.055 30.261 1.00 24.32 C ATOM 2225 CG LYS A 148 0.189 14.496 28.945 1.00 52.43 C ATOM 2226 CD LYS A 148 -1.317 14.307 28.907 1.00 34.03 C ATOM 2227 CE LYS A 148 -2.029 15.080 29.998 1.00 3.33 C ATOM 2228 NZ LYS A 148 -3.489 14.906 29.914 1.00 0.33 N ATOM 0 H LYS A 148 2.240 12.555 28.885 1.00 70.10 H new ATOM 0 HA LYS A 148 2.627 15.097 29.918 1.00 12.25 H new ATOM 0 HB2 LYS A 148 0.476 13.034 30.472 1.00 24.32 H new ATOM 0 HB3 LYS A 148 0.399 14.683 31.060 1.00 24.32 H new ATOM 0 HG2 LYS A 148 0.425 15.546 28.774 1.00 52.43 H new ATOM 0 HG3 LYS A 148 0.644 13.930 28.132 1.00 52.43 H new ATOM 0 HD2 LYS A 148 -1.695 14.625 27.935 1.00 34.03 H new ATOM 0 HD3 LYS A 148 -1.549 13.247 29.007 1.00 34.03 H new ATOM 0 HE2 LYS A 148 -1.676 14.744 30.973 1.00 3.33 H new ATOM 0 HE3 LYS A 148 -1.782 16.138 29.917 1.00 3.33 H new ATOM 0 HZ1 LYS A 148 -3.947 15.448 30.674 1.00 0.33 H new ATOM 0 HZ2 LYS A 148 -3.827 15.249 28.992 1.00 0.33 H new ATOM 0 HZ3 LYS A 148 -3.725 13.898 30.016 1.00 0.33 H new ATOM 2242 N LYS A 149 2.962 12.698 32.112 1.00 73.11 N ATOM 2243 CA LYS A 149 3.428 12.358 33.452 1.00 44.33 C ATOM 2244 C LYS A 149 4.883 12.781 33.603 1.00 25.11 C ATOM 2245 O LYS A 149 5.306 13.290 34.644 1.00 1.05 O ATOM 2246 CB LYS A 149 3.306 10.850 33.646 1.00 35.01 C ATOM 2247 CG LYS A 149 1.910 10.332 33.384 1.00 42.50 C ATOM 2248 CD LYS A 149 1.828 8.833 33.505 1.00 45.32 C ATOM 2249 CE LYS A 149 0.430 8.357 33.180 1.00 10.23 C ATOM 2250 NZ LYS A 149 0.306 6.897 33.299 1.00 74.20 N ATOM 0 H LYS A 149 2.760 11.887 31.527 1.00 73.11 H new ATOM 0 HA LYS A 149 2.827 12.875 34.200 1.00 44.33 H new ATOM 0 HB2 LYS A 149 4.006 10.346 32.980 1.00 35.01 H new ATOM 0 HB3 LYS A 149 3.597 10.596 34.665 1.00 35.01 H new ATOM 0 HG2 LYS A 149 1.216 10.790 34.089 1.00 42.50 H new ATOM 0 HG3 LYS A 149 1.594 10.632 32.385 1.00 42.50 H new ATOM 0 HD2 LYS A 149 2.545 8.367 32.829 1.00 45.32 H new ATOM 0 HD3 LYS A 149 2.098 8.527 34.516 1.00 45.32 H new ATOM 0 HE2 LYS A 149 -0.282 8.838 33.851 1.00 10.23 H new ATOM 0 HE3 LYS A 149 0.169 8.662 32.167 1.00 10.23 H new ATOM 0 HZ1 LYS A 149 -0.667 6.611 33.068 1.00 74.20 H new ATOM 0 HZ2 LYS A 149 0.967 6.438 32.641 1.00 74.20 H new ATOM 0 HZ3 LYS A 149 0.530 6.608 34.273 1.00 74.20 H new ATOM 2264 N ILE A 150 5.627 12.585 32.540 1.00 14.15 N ATOM 2265 CA ILE A 150 7.025 12.932 32.481 1.00 44.40 C ATOM 2266 C ILE A 150 7.179 14.468 32.470 1.00 13.44 C ATOM 2267 O ILE A 150 8.028 15.033 33.173 1.00 4.11 O ATOM 2268 CB ILE A 150 7.691 12.268 31.223 1.00 62.44 C ATOM 2269 CG1 ILE A 150 7.501 10.740 31.315 1.00 21.41 C ATOM 2270 CG2 ILE A 150 9.168 12.613 31.130 1.00 13.10 C ATOM 2271 CD1 ILE A 150 8.041 9.964 30.141 1.00 31.23 C ATOM 0 H ILE A 150 5.270 12.173 31.678 1.00 14.15 H new ATOM 0 HA ILE A 150 7.538 12.550 33.364 1.00 44.40 H new ATOM 0 HB ILE A 150 7.212 12.652 30.322 1.00 62.44 H new ATOM 0 HG12 ILE A 150 7.986 10.382 32.223 1.00 21.41 H new ATOM 0 HG13 ILE A 150 6.437 10.526 31.416 1.00 21.41 H new ATOM 0 HG21 ILE A 150 9.598 12.137 30.248 1.00 13.10 H new ATOM 0 HG22 ILE A 150 9.285 13.694 31.053 1.00 13.10 H new ATOM 0 HG23 ILE A 150 9.682 12.255 32.022 1.00 13.10 H new ATOM 0 HD11 ILE A 150 7.862 8.900 30.295 1.00 31.23 H new ATOM 0 HD12 ILE A 150 7.540 10.288 29.229 1.00 31.23 H new ATOM 0 HD13 ILE A 150 9.112 10.142 30.049 1.00 31.23 H new ATOM 2283 N MET A 151 6.319 15.128 31.718 1.00 71.01 N ATOM 2284 CA MET A 151 6.310 16.582 31.623 1.00 65.41 C ATOM 2285 C MET A 151 5.881 17.209 32.935 1.00 12.21 C ATOM 2286 O MET A 151 6.554 18.106 33.440 1.00 41.23 O ATOM 2287 CB MET A 151 5.378 17.064 30.502 1.00 23.22 C ATOM 2288 CG MET A 151 5.791 16.641 29.106 1.00 33.03 C ATOM 2289 SD MET A 151 4.628 17.203 27.846 1.00 41.12 S ATOM 2290 CE MET A 151 5.405 16.546 26.370 1.00 42.32 C ATOM 0 H MET A 151 5.603 14.672 31.152 1.00 71.01 H new ATOM 0 HA MET A 151 7.329 16.894 31.392 1.00 65.41 H new ATOM 0 HB2 MET A 151 4.373 16.689 30.698 1.00 23.22 H new ATOM 0 HB3 MET A 151 5.325 18.152 30.536 1.00 23.22 H new ATOM 0 HG2 MET A 151 6.781 17.040 28.886 1.00 33.03 H new ATOM 0 HG3 MET A 151 5.869 15.554 29.066 1.00 33.03 H new ATOM 0 HE1 MET A 151 5.023 17.070 25.494 1.00 42.32 H new ATOM 0 HE2 MET A 151 6.484 16.686 26.434 1.00 42.32 H new ATOM 0 HE3 MET A 151 5.181 15.483 26.284 1.00 42.32 H new ATOM 2300 N GLU A 152 4.777 16.716 33.506 1.00 63.40 N ATOM 2301 CA GLU A 152 4.251 17.252 34.759 1.00 5.32 C ATOM 2302 C GLU A 152 5.228 17.084 35.897 1.00 75.12 C ATOM 2303 O GLU A 152 5.252 17.891 36.815 1.00 61.33 O ATOM 2304 CB GLU A 152 2.877 16.670 35.142 1.00 62.35 C ATOM 2305 CG GLU A 152 1.762 16.960 34.143 1.00 51.03 C ATOM 2306 CD GLU A 152 0.400 16.611 34.681 1.00 52.53 C ATOM 2307 OE1 GLU A 152 -0.240 17.489 35.316 1.00 14.01 O ATOM 2308 OE2 GLU A 152 -0.060 15.473 34.498 1.00 53.14 O ATOM 0 H GLU A 152 4.232 15.946 33.118 1.00 63.40 H new ATOM 0 HA GLU A 152 4.107 18.317 34.579 1.00 5.32 H new ATOM 0 HB2 GLU A 152 2.974 15.590 35.255 1.00 62.35 H new ATOM 0 HB3 GLU A 152 2.587 17.068 36.115 1.00 62.35 H new ATOM 0 HG2 GLU A 152 1.784 18.017 33.876 1.00 51.03 H new ATOM 0 HG3 GLU A 152 1.943 16.396 33.228 1.00 51.03 H new ATOM 2315 N CYS A 153 6.027 16.035 35.835 1.00 0.12 N ATOM 2316 CA CYS A 153 7.021 15.774 36.850 1.00 73.04 C ATOM 2317 C CYS A 153 8.039 16.927 36.913 1.00 75.24 C ATOM 2318 O CYS A 153 8.417 17.378 37.999 1.00 61.12 O ATOM 2319 CB CYS A 153 7.724 14.438 36.572 1.00 43.14 C ATOM 2320 SG CYS A 153 8.906 13.927 37.837 1.00 43.31 S ATOM 0 H CYS A 153 6.003 15.346 35.083 1.00 0.12 H new ATOM 0 HA CYS A 153 6.526 15.706 37.819 1.00 73.04 H new ATOM 0 HB2 CYS A 153 6.967 13.660 36.466 1.00 43.14 H new ATOM 0 HB3 CYS A 153 8.244 14.509 35.617 1.00 43.14 H new ATOM 0 HG CYS A 153 9.436 12.789 37.501 1.00 43.31 H new ATOM 2326 N LYS A 154 8.461 17.412 35.755 1.00 60.21 N ATOM 2327 CA LYS A 154 9.415 18.513 35.705 1.00 14.21 C ATOM 2328 C LYS A 154 8.707 19.852 35.863 1.00 53.04 C ATOM 2329 O LYS A 154 9.150 20.707 36.627 1.00 61.51 O ATOM 2330 CB LYS A 154 10.195 18.501 34.384 1.00 23.13 C ATOM 2331 CG LYS A 154 11.020 17.251 34.146 1.00 63.14 C ATOM 2332 CD LYS A 154 12.091 17.064 35.213 1.00 5.12 C ATOM 2333 CE LYS A 154 12.925 15.824 34.937 1.00 44.53 C ATOM 2334 NZ LYS A 154 13.962 15.608 35.959 1.00 11.54 N ATOM 0 H LYS A 154 8.162 17.065 34.844 1.00 60.21 H new ATOM 0 HA LYS A 154 10.113 18.380 36.531 1.00 14.21 H new ATOM 0 HB2 LYS A 154 9.490 18.617 33.561 1.00 23.13 H new ATOM 0 HB3 LYS A 154 10.857 19.367 34.361 1.00 23.13 H new ATOM 0 HG2 LYS A 154 10.364 16.380 34.134 1.00 63.14 H new ATOM 0 HG3 LYS A 154 11.491 17.309 33.165 1.00 63.14 H new ATOM 0 HD2 LYS A 154 12.737 17.942 35.243 1.00 5.12 H new ATOM 0 HD3 LYS A 154 11.622 16.980 36.193 1.00 5.12 H new ATOM 0 HE2 LYS A 154 12.272 14.952 34.895 1.00 44.53 H new ATOM 0 HE3 LYS A 154 13.396 15.916 33.959 1.00 44.53 H new ATOM 0 HZ1 LYS A 154 14.504 14.751 35.728 1.00 11.54 H new ATOM 0 HZ2 LYS A 154 14.602 16.427 35.982 1.00 11.54 H new ATOM 0 HZ3 LYS A 154 13.513 15.493 36.890 1.00 11.54 H new