USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1066 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 GLN : amide:sc= 0 K(o=-2.4,f=-2.9) USER MOD Set 1.2: A 140 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3.9!) USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= -0.0732 USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 THR OG1 : rot -149:sc= 0.697 USER MOD Set 3.2: A 36 SER OG : rot 48:sc= 0.241 USER MOD Set 4.1: A 24 TYR OH : rot 13:sc= -1.43 USER MOD Set 4.2: A 151 GLN : amide:sc= 0.66 K(o=-0.77,f=-1.4) USER MOD Set 5.1: A 10 THR OG1 : rot 158:sc= 1.6 USER MOD Set 5.2: A 12 TYR OH : rot 180:sc=-0.00461 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -6:sc= 0.871 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.23) USER MOD Single : A 16 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.22) USER MOD Single : A 20 MET CE :methyl 161:sc= -0.725 (180deg=-1.68!) USER MOD Single : A 26 ASN : amide:sc= -0.722 K(o=-0.72,f=-7.6!) USER MOD Single : A 27 SER OG : rot -25:sc= 0.273 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0196 (180deg=-0.261) USER MOD Single : A 34 ASN : amide:sc= -0.226 K(o=-0.23,f=-7.9!) USER MOD Single : A 37 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00343) USER MOD Single : A 55 TYR OH : rot 41:sc= 0.0116 USER MOD Single : A 58 MET CE :methyl 155:sc= -1.06 (180deg=-1.53) USER MOD Single : A 62 THR OG1 : rot 110:sc= 0.511 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= 0.768 (180deg=0.0108) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0808 USER MOD Single : A 73 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.019) USER MOD Single : A 76 THR OG1 : rot -150:sc= -1.24 USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -0.0986 (180deg=-1.41) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc=6.09e-05 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 104 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.061) USER MOD Single : A 114 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.041) USER MOD Single : A 115 THR OG1 : rot 142:sc= 0.481 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.49) USER MOD Single : A 119 TYR OH : rot -156:sc= 0.73 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0.501 K(o=0.5,f=-1.7!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -8.987 3.545 -9.790 1.00 43.22 N ATOM 140 CA THR A 10 -8.470 3.411 -11.155 1.00 61.13 C ATOM 141 C THR A 10 -7.080 2.738 -11.168 1.00 64.35 C ATOM 142 O THR A 10 -6.394 2.683 -10.134 1.00 61.05 O ATOM 143 CB THR A 10 -8.390 4.819 -11.796 1.00 21.10 C ATOM 144 OG1 THR A 10 -7.617 5.684 -10.943 1.00 22.13 O ATOM 145 CG2 THR A 10 -9.786 5.434 -12.021 1.00 42.33 C ATOM 0 HA THR A 10 -9.145 2.775 -11.728 1.00 61.13 H new ATOM 0 HB THR A 10 -7.914 4.716 -12.771 1.00 21.10 H new ATOM 0 HG1 THR A 10 -7.259 6.429 -11.470 1.00 22.13 H new ATOM 0 HG21 THR A 10 -9.681 6.421 -12.472 1.00 42.33 H new ATOM 0 HG22 THR A 10 -10.364 4.791 -12.685 1.00 42.33 H new ATOM 0 HG23 THR A 10 -10.302 5.525 -11.065 1.00 42.33 H new ATOM 153 N THR A 11 -6.675 2.245 -12.357 1.00 44.04 N ATOM 154 CA THR A 11 -5.422 1.489 -12.538 1.00 35.42 C ATOM 155 C THR A 11 -4.181 2.404 -12.469 1.00 62.44 C ATOM 156 O THR A 11 -3.185 2.032 -11.853 1.00 54.23 O ATOM 157 CB THR A 11 -5.437 0.708 -13.894 1.00 54.53 C ATOM 158 OG1 THR A 11 -6.697 0.032 -14.032 1.00 65.31 O ATOM 159 CG2 THR A 11 -4.298 -0.331 -14.000 1.00 24.31 C ATOM 0 H THR A 11 -7.209 2.361 -13.218 1.00 44.04 H new ATOM 0 HA THR A 11 -5.357 0.776 -11.716 1.00 35.42 H new ATOM 0 HB THR A 11 -5.289 1.438 -14.690 1.00 54.53 H new ATOM 0 HG1 THR A 11 -6.714 -0.458 -14.880 1.00 65.31 H new ATOM 0 HG21 THR A 11 -4.359 -0.841 -14.961 1.00 24.31 H new ATOM 0 HG22 THR A 11 -3.336 0.174 -13.918 1.00 24.31 H new ATOM 0 HG23 THR A 11 -4.395 -1.060 -13.195 1.00 24.31 H new ATOM 167 N TYR A 12 -4.259 3.608 -13.088 1.00 13.21 N ATOM 168 CA TYR A 12 -3.120 4.563 -13.136 1.00 22.24 C ATOM 169 C TYR A 12 -2.642 4.975 -11.725 1.00 63.25 C ATOM 170 O TYR A 12 -1.443 5.184 -11.502 1.00 31.55 O ATOM 171 CB TYR A 12 -3.465 5.824 -13.991 1.00 42.14 C ATOM 172 CG TYR A 12 -4.723 6.622 -13.565 1.00 2.24 C ATOM 173 CD1 TYR A 12 -4.713 7.461 -12.447 1.00 51.35 C ATOM 174 CD2 TYR A 12 -5.913 6.543 -14.292 1.00 32.54 C ATOM 175 CE1 TYR A 12 -5.827 8.175 -12.075 1.00 43.05 C ATOM 176 CE2 TYR A 12 -7.030 7.264 -13.922 1.00 61.11 C ATOM 177 CZ TYR A 12 -6.980 8.078 -12.810 1.00 31.33 C ATOM 178 OH TYR A 12 -8.096 8.794 -12.428 1.00 64.33 O ATOM 0 H TYR A 12 -5.098 3.942 -13.561 1.00 13.21 H new ATOM 0 HA TYR A 12 -2.296 4.038 -13.620 1.00 22.24 H new ATOM 0 HB2 TYR A 12 -2.609 6.498 -13.967 1.00 42.14 H new ATOM 0 HB3 TYR A 12 -3.594 5.510 -15.027 1.00 42.14 H new ATOM 0 HD1 TYR A 12 -3.809 7.550 -11.862 1.00 51.35 H new ATOM 0 HD2 TYR A 12 -5.960 5.904 -15.162 1.00 32.54 H new ATOM 0 HE1 TYR A 12 -5.794 8.812 -11.204 1.00 43.05 H new ATOM 0 HE2 TYR A 12 -7.939 7.191 -14.501 1.00 61.11 H new ATOM 0 HH TYR A 12 -8.829 8.616 -13.054 1.00 64.33 H new ATOM 188 N ALA A 13 -3.605 5.071 -10.790 1.00 62.14 N ATOM 189 CA ALA A 13 -3.352 5.476 -9.402 1.00 52.43 C ATOM 190 C ALA A 13 -2.512 4.424 -8.670 1.00 24.10 C ATOM 191 O ALA A 13 -1.566 4.765 -7.962 1.00 45.33 O ATOM 192 CB ALA A 13 -4.682 5.712 -8.680 1.00 75.15 C ATOM 0 H ALA A 13 -4.586 4.868 -10.981 1.00 62.14 H new ATOM 0 HA ALA A 13 -2.785 6.407 -9.406 1.00 52.43 H new ATOM 0 HB1 ALA A 13 -4.489 6.012 -7.650 1.00 75.15 H new ATOM 0 HB2 ALA A 13 -5.238 6.499 -9.189 1.00 75.15 H new ATOM 0 HB3 ALA A 13 -5.267 4.793 -8.686 1.00 75.15 H new ATOM 198 N SER A 14 -2.865 3.143 -8.877 1.00 12.12 N ATOM 199 CA SER A 14 -2.191 2.007 -8.240 1.00 72.14 C ATOM 200 C SER A 14 -0.822 1.718 -8.892 1.00 73.11 C ATOM 201 O SER A 14 0.126 1.355 -8.194 1.00 21.51 O ATOM 202 CB SER A 14 -3.109 0.764 -8.286 1.00 3.54 C ATOM 203 OG SER A 14 -3.478 0.425 -9.612 1.00 61.04 O ATOM 0 H SER A 14 -3.630 2.870 -9.494 1.00 12.12 H new ATOM 0 HA SER A 14 -1.995 2.262 -7.198 1.00 72.14 H new ATOM 0 HB2 SER A 14 -2.598 -0.081 -7.825 1.00 3.54 H new ATOM 0 HB3 SER A 14 -4.006 0.954 -7.697 1.00 3.54 H new ATOM 0 HG SER A 14 -3.154 1.115 -10.228 1.00 61.04 H new ATOM 209 N LYS A 15 -0.738 1.913 -10.222 1.00 61.13 N ATOM 210 CA LYS A 15 0.489 1.672 -11.013 1.00 11.03 C ATOM 211 C LYS A 15 1.627 2.614 -10.596 1.00 61.33 C ATOM 212 O LYS A 15 2.748 2.170 -10.350 1.00 3.32 O ATOM 213 CB LYS A 15 0.196 1.849 -12.530 1.00 0.52 C ATOM 214 CG LYS A 15 -0.634 0.715 -13.170 1.00 64.33 C ATOM 215 CD LYS A 15 0.149 -0.618 -13.254 1.00 23.32 C ATOM 216 CE LYS A 15 -0.627 -1.718 -13.997 1.00 40.50 C ATOM 217 NZ LYS A 15 0.228 -2.897 -14.305 1.00 30.42 N ATOM 0 H LYS A 15 -1.523 2.244 -10.783 1.00 61.13 H new ATOM 0 HA LYS A 15 0.807 0.648 -10.818 1.00 11.03 H new ATOM 0 HB2 LYS A 15 -0.331 2.792 -12.675 1.00 0.52 H new ATOM 0 HB3 LYS A 15 1.144 1.929 -13.061 1.00 0.52 H new ATOM 0 HG2 LYS A 15 -1.543 0.562 -12.589 1.00 64.33 H new ATOM 0 HG3 LYS A 15 -0.942 1.015 -14.171 1.00 64.33 H new ATOM 0 HD2 LYS A 15 1.099 -0.445 -13.760 1.00 23.32 H new ATOM 0 HD3 LYS A 15 0.382 -0.961 -12.246 1.00 23.32 H new ATOM 0 HE2 LYS A 15 -1.476 -2.035 -13.391 1.00 40.50 H new ATOM 0 HE3 LYS A 15 -1.032 -1.312 -14.924 1.00 40.50 H new ATOM 0 HZ1 LYS A 15 -0.205 -3.448 -15.073 1.00 30.42 H new ATOM 0 HZ2 LYS A 15 1.172 -2.574 -14.600 1.00 30.42 H new ATOM 0 HZ3 LYS A 15 0.315 -3.493 -13.458 1.00 30.42 H new ATOM 231 N GLN A 16 1.321 3.917 -10.537 1.00 2.23 N ATOM 232 CA GLN A 16 2.325 4.959 -10.258 1.00 10.10 C ATOM 233 C GLN A 16 2.610 5.076 -8.752 1.00 65.54 C ATOM 234 O GLN A 16 3.671 5.582 -8.359 1.00 4.03 O ATOM 235 CB GLN A 16 1.869 6.306 -10.852 1.00 24.42 C ATOM 236 CG GLN A 16 1.591 6.264 -12.375 1.00 53.11 C ATOM 237 CD GLN A 16 2.811 5.891 -13.231 1.00 20.23 C ATOM 238 OE1 GLN A 16 3.952 6.195 -12.888 1.00 14.05 O ATOM 239 NE2 GLN A 16 2.577 5.247 -14.367 1.00 0.43 N ATOM 0 H GLN A 16 0.378 4.279 -10.680 1.00 2.23 H new ATOM 0 HA GLN A 16 3.261 4.672 -10.737 1.00 10.10 H new ATOM 0 HB2 GLN A 16 0.965 6.630 -10.337 1.00 24.42 H new ATOM 0 HB3 GLN A 16 2.635 7.056 -10.654 1.00 24.42 H new ATOM 0 HG2 GLN A 16 0.794 5.546 -12.567 1.00 53.11 H new ATOM 0 HG3 GLN A 16 1.224 7.240 -12.692 1.00 53.11 H new ATOM 0 HE21 GLN A 16 1.621 5.006 -14.629 1.00 0.43 H new ATOM 0 HE22 GLN A 16 3.353 4.993 -14.978 1.00 0.43 H new ATOM 248 N ALA A 17 1.660 4.604 -7.920 1.00 71.23 N ATOM 249 CA ALA A 17 1.855 4.506 -6.468 1.00 75.34 C ATOM 250 C ALA A 17 2.919 3.457 -6.153 1.00 50.14 C ATOM 251 O ALA A 17 3.865 3.722 -5.403 1.00 23.32 O ATOM 252 CB ALA A 17 0.546 4.149 -5.756 1.00 64.12 C ATOM 0 H ALA A 17 0.745 4.284 -8.237 1.00 71.23 H new ATOM 0 HA ALA A 17 2.186 5.479 -6.105 1.00 75.34 H new ATOM 0 HB1 ALA A 17 0.722 4.083 -4.682 1.00 64.12 H new ATOM 0 HB2 ALA A 17 -0.199 4.920 -5.955 1.00 64.12 H new ATOM 0 HB3 ALA A 17 0.182 3.189 -6.123 1.00 64.12 H new ATOM 258 N THR A 18 2.753 2.264 -6.745 1.00 61.31 N ATOM 259 CA THR A 18 3.676 1.147 -6.546 1.00 63.22 C ATOM 260 C THR A 18 5.055 1.473 -7.125 1.00 23.42 C ATOM 261 O THR A 18 6.073 1.214 -6.483 1.00 34.03 O ATOM 262 CB THR A 18 3.126 -0.160 -7.186 1.00 12.11 C ATOM 263 OG1 THR A 18 2.810 0.048 -8.571 1.00 31.14 O ATOM 264 CG2 THR A 18 1.885 -0.681 -6.452 1.00 25.13 C ATOM 0 H THR A 18 1.977 2.052 -7.372 1.00 61.31 H new ATOM 0 HA THR A 18 3.773 0.989 -5.472 1.00 63.22 H new ATOM 0 HB THR A 18 3.912 -0.910 -7.099 1.00 12.11 H new ATOM 0 HG1 THR A 18 2.061 -0.530 -8.826 1.00 31.14 H new ATOM 0 HG21 THR A 18 1.535 -1.595 -6.933 1.00 25.13 H new ATOM 0 HG22 THR A 18 2.138 -0.892 -5.413 1.00 25.13 H new ATOM 0 HG23 THR A 18 1.098 0.072 -6.488 1.00 25.13 H new ATOM 272 N ASP A 19 5.044 2.089 -8.323 1.00 72.00 N ATOM 273 CA ASP A 19 6.244 2.592 -9.026 1.00 13.54 C ATOM 274 C ASP A 19 7.065 3.529 -8.114 1.00 44.43 C ATOM 275 O ASP A 19 8.300 3.490 -8.120 1.00 11.41 O ATOM 276 CB ASP A 19 5.794 3.334 -10.318 1.00 53.13 C ATOM 277 CG ASP A 19 6.941 3.972 -11.132 1.00 62.04 C ATOM 278 OD1 ASP A 19 7.538 3.274 -11.973 1.00 22.11 O ATOM 279 OD2 ASP A 19 7.219 5.175 -10.956 1.00 61.52 O ATOM 0 H ASP A 19 4.182 2.255 -8.842 1.00 72.00 H new ATOM 0 HA ASP A 19 6.886 1.753 -9.292 1.00 13.54 H new ATOM 0 HB2 ASP A 19 5.262 2.630 -10.958 1.00 53.13 H new ATOM 0 HB3 ASP A 19 5.085 4.115 -10.043 1.00 53.13 H new ATOM 284 N MET A 20 6.342 4.332 -7.312 1.00 75.00 N ATOM 285 CA MET A 20 6.931 5.282 -6.354 1.00 21.03 C ATOM 286 C MET A 20 7.581 4.537 -5.161 1.00 50.43 C ATOM 287 O MET A 20 8.638 4.950 -4.667 1.00 44.14 O ATOM 288 CB MET A 20 5.836 6.244 -5.826 1.00 62.03 C ATOM 289 CG MET A 20 6.352 7.583 -5.262 1.00 44.42 C ATOM 290 SD MET A 20 6.837 8.729 -6.569 1.00 45.35 S ATOM 291 CE MET A 20 5.296 8.848 -7.487 1.00 31.01 C ATOM 0 H MET A 20 5.322 4.339 -7.312 1.00 75.00 H new ATOM 0 HA MET A 20 7.704 5.851 -6.871 1.00 21.03 H new ATOM 0 HB2 MET A 20 5.139 6.455 -6.637 1.00 62.03 H new ATOM 0 HB3 MET A 20 5.272 5.733 -5.046 1.00 62.03 H new ATOM 0 HG2 MET A 20 5.576 8.041 -4.649 1.00 44.42 H new ATOM 0 HG3 MET A 20 7.205 7.396 -4.609 1.00 44.42 H new ATOM 0 HE1 MET A 20 5.309 9.745 -8.105 1.00 31.01 H new ATOM 0 HE2 MET A 20 5.183 7.970 -8.123 1.00 31.01 H new ATOM 0 HE3 MET A 20 4.460 8.900 -6.789 1.00 31.01 H new ATOM 301 N GLY A 21 6.927 3.442 -4.704 1.00 0.13 N ATOM 302 CA GLY A 21 7.439 2.636 -3.583 1.00 33.12 C ATOM 303 C GLY A 21 6.364 1.856 -2.829 1.00 65.33 C ATOM 304 O GLY A 21 6.702 1.025 -1.972 1.00 40.41 O ATOM 0 H GLY A 21 6.049 3.103 -5.096 1.00 0.13 H new ATOM 0 HA2 GLY A 21 8.181 1.934 -3.964 1.00 33.12 H new ATOM 0 HA3 GLY A 21 7.953 3.294 -2.882 1.00 33.12 H new ATOM 308 N ALA A 22 5.073 2.116 -3.143 1.00 42.34 N ATOM 309 CA ALA A 22 3.926 1.504 -2.428 1.00 42.52 C ATOM 310 C ALA A 22 3.845 -0.020 -2.644 1.00 73.40 C ATOM 311 O ALA A 22 4.190 -0.530 -3.714 1.00 34.11 O ATOM 312 CB ALA A 22 2.610 2.181 -2.834 1.00 22.21 C ATOM 0 H ALA A 22 4.798 2.750 -3.893 1.00 42.34 H new ATOM 0 HA ALA A 22 4.091 1.666 -1.363 1.00 42.52 H new ATOM 0 HB1 ALA A 22 1.782 1.717 -2.298 1.00 22.21 H new ATOM 0 HB2 ALA A 22 2.655 3.241 -2.585 1.00 22.21 H new ATOM 0 HB3 ALA A 22 2.458 2.066 -3.907 1.00 22.21 H new ATOM 318 N ILE A 23 3.368 -0.728 -1.609 1.00 54.12 N ATOM 319 CA ILE A 23 3.304 -2.208 -1.575 1.00 32.23 C ATOM 320 C ILE A 23 1.853 -2.684 -1.411 1.00 34.12 C ATOM 321 O ILE A 23 0.972 -1.904 -1.039 1.00 11.53 O ATOM 322 CB ILE A 23 4.162 -2.783 -0.382 1.00 12.22 C ATOM 323 CG1 ILE A 23 3.623 -2.248 0.990 1.00 60.32 C ATOM 324 CG2 ILE A 23 5.663 -2.453 -0.569 1.00 55.04 C ATOM 325 CD1 ILE A 23 4.319 -2.794 2.222 1.00 3.21 C ATOM 0 H ILE A 23 3.011 -0.290 -0.760 1.00 54.12 H new ATOM 0 HA ILE A 23 3.707 -2.573 -2.520 1.00 32.23 H new ATOM 0 HB ILE A 23 4.065 -3.869 -0.380 1.00 12.22 H new ATOM 0 HG12 ILE A 23 3.710 -1.162 0.996 1.00 60.32 H new ATOM 0 HG13 ILE A 23 2.561 -2.483 1.060 1.00 60.32 H new ATOM 0 HG21 ILE A 23 6.232 -2.860 0.267 1.00 55.04 H new ATOM 0 HG22 ILE A 23 6.019 -2.894 -1.500 1.00 55.04 H new ATOM 0 HG23 ILE A 23 5.796 -1.372 -0.606 1.00 55.04 H new ATOM 0 HD11 ILE A 23 3.870 -2.360 3.116 1.00 3.21 H new ATOM 0 HD12 ILE A 23 4.210 -3.878 2.251 1.00 3.21 H new ATOM 0 HD13 ILE A 23 5.377 -2.536 2.186 1.00 3.21 H new ATOM 337 N TYR A 24 1.624 -3.979 -1.674 1.00 33.42 N ATOM 338 CA TYR A 24 0.340 -4.639 -1.403 1.00 34.23 C ATOM 339 C TYR A 24 0.487 -5.639 -0.259 1.00 71.23 C ATOM 340 O TYR A 24 1.436 -6.438 -0.227 1.00 51.02 O ATOM 341 CB TYR A 24 -0.193 -5.366 -2.659 1.00 21.24 C ATOM 342 CG TYR A 24 -0.738 -4.427 -3.733 1.00 64.35 C ATOM 343 CD1 TYR A 24 -2.014 -3.873 -3.616 1.00 14.24 C ATOM 344 CD2 TYR A 24 0.010 -4.100 -4.860 1.00 41.22 C ATOM 345 CE1 TYR A 24 -2.516 -3.036 -4.591 1.00 0.51 C ATOM 346 CE2 TYR A 24 -0.494 -3.262 -5.827 1.00 51.13 C ATOM 347 CZ TYR A 24 -1.754 -2.732 -5.690 1.00 33.42 C ATOM 348 OH TYR A 24 -2.255 -1.897 -6.658 1.00 30.14 O ATOM 0 H TYR A 24 2.325 -4.598 -2.081 1.00 33.42 H new ATOM 0 HA TYR A 24 -0.375 -3.866 -1.120 1.00 34.23 H new ATOM 0 HB2 TYR A 24 0.610 -5.966 -3.088 1.00 21.24 H new ATOM 0 HB3 TYR A 24 -0.982 -6.057 -2.360 1.00 21.24 H new ATOM 0 HD1 TYR A 24 -2.617 -4.103 -2.750 1.00 14.24 H new ATOM 0 HD2 TYR A 24 1.002 -4.511 -4.977 1.00 41.22 H new ATOM 0 HE1 TYR A 24 -3.508 -2.621 -4.489 1.00 0.51 H new ATOM 0 HE2 TYR A 24 0.101 -3.020 -6.695 1.00 51.13 H new ATOM 0 HH TYR A 24 -3.060 -1.451 -6.321 1.00 30.14 H new ATOM 358 N VAL A 25 -0.467 -5.571 0.674 1.00 3.34 N ATOM 359 CA VAL A 25 -0.630 -6.537 1.763 1.00 0.24 C ATOM 360 C VAL A 25 -2.083 -7.017 1.788 1.00 75.43 C ATOM 361 O VAL A 25 -2.981 -6.285 1.392 1.00 23.31 O ATOM 362 CB VAL A 25 -0.232 -5.921 3.161 1.00 33.24 C ATOM 363 CG1 VAL A 25 1.260 -5.525 3.199 1.00 21.14 C ATOM 364 CG2 VAL A 25 -1.139 -4.726 3.552 1.00 41.03 C ATOM 0 H VAL A 25 -1.163 -4.826 0.693 1.00 3.34 H new ATOM 0 HA VAL A 25 0.040 -7.378 1.582 1.00 0.24 H new ATOM 0 HB VAL A 25 -0.390 -6.701 3.906 1.00 33.24 H new ATOM 0 HG11 VAL A 25 1.500 -5.104 4.176 1.00 21.14 H new ATOM 0 HG12 VAL A 25 1.875 -6.407 3.023 1.00 21.14 H new ATOM 0 HG13 VAL A 25 1.459 -4.783 2.426 1.00 21.14 H new ATOM 0 HG21 VAL A 25 -0.828 -4.335 4.521 1.00 41.03 H new ATOM 0 HG22 VAL A 25 -1.053 -3.942 2.799 1.00 41.03 H new ATOM 0 HG23 VAL A 25 -2.175 -5.060 3.611 1.00 41.03 H new ATOM 374 N ASN A 26 -2.314 -8.254 2.231 1.00 25.25 N ATOM 375 CA ASN A 26 -3.684 -8.801 2.390 1.00 50.51 C ATOM 376 C ASN A 26 -4.342 -8.245 3.672 1.00 13.14 C ATOM 377 O ASN A 26 -3.789 -7.349 4.329 1.00 31.24 O ATOM 378 CB ASN A 26 -3.638 -10.353 2.417 1.00 43.34 C ATOM 379 CG ASN A 26 -2.836 -10.927 3.587 1.00 41.01 C ATOM 380 OD1 ASN A 26 -1.886 -10.330 4.070 1.00 65.42 O ATOM 381 ND2 ASN A 26 -3.224 -12.090 4.060 1.00 2.04 N ATOM 0 H ASN A 26 -1.574 -8.907 2.490 1.00 25.25 H new ATOM 0 HA ASN A 26 -4.290 -8.490 1.539 1.00 50.51 H new ATOM 0 HB2 ASN A 26 -4.657 -10.737 2.464 1.00 43.34 H new ATOM 0 HB3 ASN A 26 -3.206 -10.711 1.482 1.00 43.34 H new ATOM 0 HD21 ASN A 26 -2.729 -12.512 4.846 1.00 2.04 H new ATOM 0 HD22 ASN A 26 -4.020 -12.571 3.641 1.00 2.04 H new ATOM 388 N SER A 27 -5.519 -8.791 4.032 1.00 52.22 N ATOM 389 CA SER A 27 -6.266 -8.377 5.234 1.00 13.44 C ATOM 390 C SER A 27 -5.582 -8.868 6.535 1.00 34.40 C ATOM 391 O SER A 27 -5.970 -8.467 7.641 1.00 21.51 O ATOM 392 CB SER A 27 -7.724 -8.876 5.137 1.00 31.11 C ATOM 393 OG SER A 27 -8.491 -8.496 6.265 1.00 64.41 O ATOM 0 H SER A 27 -5.978 -9.530 3.499 1.00 52.22 H new ATOM 0 HA SER A 27 -6.270 -7.288 5.280 1.00 13.44 H new ATOM 0 HB2 SER A 27 -8.185 -8.476 4.234 1.00 31.11 H new ATOM 0 HB3 SER A 27 -7.730 -9.962 5.044 1.00 31.11 H new ATOM 0 HG SER A 27 -7.898 -8.362 7.034 1.00 64.41 H new ATOM 399 N LYS A 28 -4.568 -9.743 6.398 1.00 0.45 N ATOM 400 CA LYS A 28 -3.672 -10.115 7.508 1.00 35.02 C ATOM 401 C LYS A 28 -2.497 -9.128 7.608 1.00 5.01 C ATOM 402 O LYS A 28 -1.943 -8.932 8.679 1.00 0.34 O ATOM 403 CB LYS A 28 -3.139 -11.551 7.315 1.00 5.15 C ATOM 404 CG LYS A 28 -4.243 -12.608 7.145 1.00 35.44 C ATOM 405 CD LYS A 28 -5.171 -12.733 8.375 1.00 61.41 C ATOM 406 CE LYS A 28 -6.393 -13.615 8.085 1.00 13.55 C ATOM 407 NZ LYS A 28 -7.294 -12.984 7.081 1.00 1.22 N ATOM 0 H LYS A 28 -4.348 -10.210 5.518 1.00 0.45 H new ATOM 0 HA LYS A 28 -4.244 -10.074 8.435 1.00 35.02 H new ATOM 0 HB2 LYS A 28 -2.491 -11.573 6.439 1.00 5.15 H new ATOM 0 HB3 LYS A 28 -2.523 -11.818 8.174 1.00 5.15 H new ATOM 0 HG2 LYS A 28 -4.844 -12.357 6.271 1.00 35.44 H new ATOM 0 HG3 LYS A 28 -3.781 -13.576 6.948 1.00 35.44 H new ATOM 0 HD2 LYS A 28 -4.611 -13.153 9.211 1.00 61.41 H new ATOM 0 HD3 LYS A 28 -5.504 -11.741 8.680 1.00 61.41 H new ATOM 0 HE2 LYS A 28 -6.063 -14.587 7.719 1.00 13.55 H new ATOM 0 HE3 LYS A 28 -6.943 -13.792 9.009 1.00 13.55 H new ATOM 0 HZ1 LYS A 28 -8.222 -13.453 7.104 1.00 1.22 H new ATOM 0 HZ2 LYS A 28 -7.410 -11.975 7.305 1.00 1.22 H new ATOM 0 HZ3 LYS A 28 -6.880 -13.083 6.132 1.00 1.22 H new ATOM 421 N GLY A 29 -2.132 -8.516 6.474 1.00 4.31 N ATOM 422 CA GLY A 29 -1.019 -7.570 6.426 1.00 12.13 C ATOM 423 C GLY A 29 0.297 -8.272 6.161 1.00 64.25 C ATOM 424 O GLY A 29 1.221 -8.199 6.967 1.00 64.02 O ATOM 0 H GLY A 29 -2.595 -8.662 5.577 1.00 4.31 H new ATOM 0 HA2 GLY A 29 -1.202 -6.831 5.646 1.00 12.13 H new ATOM 0 HA3 GLY A 29 -0.960 -7.028 7.370 1.00 12.13 H new ATOM 428 N ASP A 30 0.372 -8.956 5.015 1.00 22.34 N ATOM 429 CA ASP A 30 1.530 -9.784 4.639 1.00 63.24 C ATOM 430 C ASP A 30 1.903 -9.545 3.175 1.00 2.32 C ATOM 431 O ASP A 30 1.052 -9.189 2.354 1.00 74.12 O ATOM 432 CB ASP A 30 1.206 -11.285 4.871 1.00 32.53 C ATOM 433 CG ASP A 30 2.367 -12.233 4.524 1.00 73.52 C ATOM 434 OD1 ASP A 30 3.439 -12.105 5.133 1.00 1.04 O ATOM 435 OD2 ASP A 30 2.222 -13.092 3.637 1.00 55.50 O ATOM 0 H ASP A 30 -0.371 -8.953 4.316 1.00 22.34 H new ATOM 0 HA ASP A 30 2.379 -9.504 5.263 1.00 63.24 H new ATOM 0 HB2 ASP A 30 0.931 -11.430 5.916 1.00 32.53 H new ATOM 0 HB3 ASP A 30 0.337 -11.556 4.272 1.00 32.53 H new ATOM 440 N ARG A 31 3.193 -9.755 2.871 1.00 62.11 N ATOM 441 CA ARG A 31 3.746 -9.651 1.516 1.00 23.15 C ATOM 442 C ARG A 31 3.102 -10.701 0.580 1.00 24.24 C ATOM 443 O ARG A 31 3.475 -11.871 0.601 1.00 13.23 O ATOM 444 CB ARG A 31 5.288 -9.841 1.590 1.00 3.25 C ATOM 445 CG ARG A 31 6.038 -8.722 2.363 1.00 14.22 C ATOM 446 CD ARG A 31 6.009 -7.377 1.616 1.00 34.20 C ATOM 447 NE ARG A 31 6.565 -7.506 0.248 1.00 74.31 N ATOM 448 CZ ARG A 31 5.916 -7.201 -0.889 1.00 42.41 C ATOM 449 NH1 ARG A 31 4.666 -6.729 -0.868 1.00 31.34 N ATOM 450 NH2 ARG A 31 6.506 -7.418 -2.056 1.00 12.23 N ATOM 0 H ARG A 31 3.890 -10.006 3.572 1.00 62.11 H new ATOM 0 HA ARG A 31 3.522 -8.667 1.103 1.00 23.15 H new ATOM 0 HB2 ARG A 31 5.501 -10.799 2.065 1.00 3.25 H new ATOM 0 HB3 ARG A 31 5.684 -9.893 0.576 1.00 3.25 H new ATOM 0 HG2 ARG A 31 5.587 -8.598 3.347 1.00 14.22 H new ATOM 0 HG3 ARG A 31 7.073 -9.024 2.522 1.00 14.22 H new ATOM 0 HD2 ARG A 31 4.983 -7.012 1.561 1.00 34.20 H new ATOM 0 HD3 ARG A 31 6.581 -6.636 2.175 1.00 34.20 H new ATOM 0 HE ARG A 31 7.519 -7.855 0.162 1.00 74.31 H new ATOM 0 HH11 ARG A 31 4.187 -6.594 0.022 1.00 31.34 H new ATOM 0 HH12 ARG A 31 4.191 -6.504 -1.742 1.00 31.34 H new ATOM 0 HH21 ARG A 31 7.446 -7.814 -2.087 1.00 12.23 H new ATOM 0 HH22 ARG A 31 6.020 -7.189 -2.923 1.00 12.23 H new ATOM 464 N ILE A 32 2.089 -10.266 -0.188 1.00 75.14 N ATOM 465 CA ILE A 32 1.351 -11.143 -1.131 1.00 43.22 C ATOM 466 C ILE A 32 1.960 -11.090 -2.547 1.00 62.03 C ATOM 467 O ILE A 32 2.145 -12.130 -3.186 1.00 41.33 O ATOM 468 CB ILE A 32 -0.185 -10.768 -1.177 1.00 62.24 C ATOM 469 CG1 ILE A 32 -0.387 -9.238 -1.434 1.00 5.55 C ATOM 470 CG2 ILE A 32 -0.894 -11.212 0.121 1.00 61.30 C ATOM 471 CD1 ILE A 32 -1.831 -8.792 -1.544 1.00 51.45 C ATOM 0 H ILE A 32 1.755 -9.302 -0.178 1.00 75.14 H new ATOM 0 HA ILE A 32 1.445 -12.164 -0.762 1.00 43.22 H new ATOM 0 HB ILE A 32 -0.638 -11.304 -2.011 1.00 62.24 H new ATOM 0 HG12 ILE A 32 0.088 -8.683 -0.625 1.00 5.55 H new ATOM 0 HG13 ILE A 32 0.132 -8.968 -2.354 1.00 5.55 H new ATOM 0 HG21 ILE A 32 -1.949 -10.945 0.069 1.00 61.30 H new ATOM 0 HG22 ILE A 32 -0.798 -12.292 0.237 1.00 61.30 H new ATOM 0 HG23 ILE A 32 -0.435 -10.714 0.975 1.00 61.30 H new ATOM 0 HD11 ILE A 32 -1.867 -7.717 -1.722 1.00 51.45 H new ATOM 0 HD12 ILE A 32 -2.311 -9.313 -2.372 1.00 51.45 H new ATOM 0 HD13 ILE A 32 -2.355 -9.024 -0.617 1.00 51.45 H new ATOM 483 N VAL A 33 2.287 -9.870 -3.016 1.00 51.53 N ATOM 484 CA VAL A 33 2.827 -9.628 -4.369 1.00 5.15 C ATOM 485 C VAL A 33 3.815 -8.450 -4.312 1.00 52.44 C ATOM 486 O VAL A 33 3.753 -7.634 -3.380 1.00 43.11 O ATOM 487 CB VAL A 33 1.668 -9.350 -5.414 1.00 44.24 C ATOM 488 CG1 VAL A 33 0.885 -8.062 -5.079 1.00 33.20 C ATOM 489 CG2 VAL A 33 2.186 -9.336 -6.876 1.00 32.01 C ATOM 0 H VAL A 33 2.183 -9.019 -2.463 1.00 51.53 H new ATOM 0 HA VAL A 33 3.350 -10.522 -4.707 1.00 5.15 H new ATOM 0 HB VAL A 33 0.971 -10.184 -5.331 1.00 44.24 H new ATOM 0 HG11 VAL A 33 0.101 -7.910 -5.820 1.00 33.20 H new ATOM 0 HG12 VAL A 33 0.436 -8.156 -4.090 1.00 33.20 H new ATOM 0 HG13 VAL A 33 1.565 -7.210 -5.090 1.00 33.20 H new ATOM 0 HG21 VAL A 33 1.355 -9.142 -7.554 1.00 32.01 H new ATOM 0 HG22 VAL A 33 2.937 -8.554 -6.988 1.00 32.01 H new ATOM 0 HG23 VAL A 33 2.630 -10.302 -7.114 1.00 32.01 H new ATOM 499 N ASN A 34 4.740 -8.392 -5.295 1.00 3.02 N ATOM 500 CA ASN A 34 5.706 -7.287 -5.435 1.00 30.04 C ATOM 501 C ASN A 34 5.001 -5.918 -5.513 1.00 4.24 C ATOM 502 O ASN A 34 5.344 -4.997 -4.763 1.00 41.12 O ATOM 503 CB ASN A 34 6.666 -7.512 -6.652 1.00 64.30 C ATOM 504 CG ASN A 34 5.998 -7.897 -7.986 1.00 3.31 C ATOM 505 OD1 ASN A 34 4.844 -7.578 -8.264 1.00 43.14 O ATOM 506 ND2 ASN A 34 6.746 -8.583 -8.843 1.00 11.41 N ATOM 0 H ASN A 34 4.836 -9.111 -6.012 1.00 3.02 H new ATOM 0 HA ASN A 34 6.320 -7.281 -4.534 1.00 30.04 H new ATOM 0 HB2 ASN A 34 7.241 -6.599 -6.808 1.00 64.30 H new ATOM 0 HB3 ASN A 34 7.377 -8.295 -6.387 1.00 64.30 H new ATOM 0 HD21 ASN A 34 6.365 -8.854 -9.749 1.00 11.41 H new ATOM 0 HD22 ASN A 34 7.702 -8.839 -8.595 1.00 11.41 H new ATOM 513 N GLU A 35 3.975 -5.840 -6.384 1.00 4.34 N ATOM 514 CA GLU A 35 3.266 -4.598 -6.714 1.00 5.31 C ATOM 515 C GLU A 35 2.115 -4.894 -7.699 1.00 23.23 C ATOM 516 O GLU A 35 1.701 -6.048 -7.858 1.00 21.34 O ATOM 517 CB GLU A 35 4.255 -3.562 -7.326 1.00 12.41 C ATOM 518 CG GLU A 35 4.911 -3.983 -8.649 1.00 23.40 C ATOM 519 CD GLU A 35 5.759 -2.873 -9.270 1.00 40.20 C ATOM 520 OE1 GLU A 35 5.186 -1.875 -9.754 1.00 64.21 O ATOM 521 OE2 GLU A 35 6.996 -2.980 -9.249 1.00 3.41 O ATOM 0 H GLU A 35 3.614 -6.653 -6.883 1.00 4.34 H new ATOM 0 HA GLU A 35 2.845 -4.176 -5.802 1.00 5.31 H new ATOM 0 HB2 GLU A 35 3.721 -2.625 -7.486 1.00 12.41 H new ATOM 0 HB3 GLU A 35 5.041 -3.360 -6.598 1.00 12.41 H new ATOM 0 HG2 GLU A 35 5.537 -4.858 -8.476 1.00 23.40 H new ATOM 0 HG3 GLU A 35 4.136 -4.280 -9.355 1.00 23.40 H new ATOM 528 N SER A 36 1.609 -3.834 -8.366 1.00 3.31 N ATOM 529 CA SER A 36 0.558 -3.930 -9.400 1.00 42.23 C ATOM 530 C SER A 36 1.154 -4.248 -10.798 1.00 0.34 C ATOM 531 O SER A 36 0.469 -4.034 -11.800 1.00 24.12 O ATOM 532 CB SER A 36 -0.230 -2.591 -9.439 1.00 21.44 C ATOM 533 OG SER A 36 0.628 -1.489 -9.713 1.00 24.21 O ATOM 0 H SER A 36 1.923 -2.878 -8.199 1.00 3.31 H new ATOM 0 HA SER A 36 -0.111 -4.751 -9.143 1.00 42.23 H new ATOM 0 HB2 SER A 36 -1.007 -2.647 -10.201 1.00 21.44 H new ATOM 0 HB3 SER A 36 -0.731 -2.435 -8.484 1.00 21.44 H new ATOM 0 HG SER A 36 1.204 -1.705 -10.476 1.00 24.21 H new ATOM 539 N ASN A 37 2.402 -4.816 -10.818 1.00 73.31 N ATOM 540 CA ASN A 37 3.225 -5.111 -12.037 1.00 74.44 C ATOM 541 C ASN A 37 2.360 -5.539 -13.237 1.00 45.13 C ATOM 542 O ASN A 37 2.370 -4.897 -14.298 1.00 13.25 O ATOM 543 CB ASN A 37 4.258 -6.232 -11.680 1.00 50.04 C ATOM 544 CG ASN A 37 5.283 -6.577 -12.785 1.00 62.21 C ATOM 545 OD1 ASN A 37 5.028 -6.441 -13.983 1.00 74.53 O ATOM 546 ND2 ASN A 37 6.454 -7.052 -12.381 1.00 22.52 N ATOM 0 H ASN A 37 2.877 -5.089 -9.958 1.00 73.31 H new ATOM 0 HA ASN A 37 3.741 -4.198 -12.336 1.00 74.44 H new ATOM 0 HB2 ASN A 37 4.803 -5.927 -10.787 1.00 50.04 H new ATOM 0 HB3 ASN A 37 3.709 -7.138 -11.424 1.00 50.04 H new ATOM 0 HD21 ASN A 37 7.163 -7.312 -13.067 1.00 22.52 H new ATOM 0 HD22 ASN A 37 6.645 -7.157 -11.385 1.00 22.52 H new ATOM 553 N VAL A 38 1.598 -6.610 -13.022 1.00 75.12 N ATOM 554 CA VAL A 38 0.613 -7.113 -13.971 1.00 32.23 C ATOM 555 C VAL A 38 -0.543 -7.724 -13.172 1.00 24.02 C ATOM 556 O VAL A 38 -0.311 -8.338 -12.119 1.00 70.22 O ATOM 557 CB VAL A 38 1.242 -8.145 -14.981 1.00 31.21 C ATOM 558 CG1 VAL A 38 1.963 -9.301 -14.252 1.00 65.13 C ATOM 559 CG2 VAL A 38 0.187 -8.672 -15.990 1.00 10.25 C ATOM 0 H VAL A 38 1.651 -7.162 -12.166 1.00 75.12 H new ATOM 0 HA VAL A 38 0.242 -6.293 -14.586 1.00 32.23 H new ATOM 0 HB VAL A 38 2.000 -7.610 -15.554 1.00 31.21 H new ATOM 0 HG11 VAL A 38 2.382 -9.989 -14.986 1.00 65.13 H new ATOM 0 HG12 VAL A 38 2.765 -8.897 -13.634 1.00 65.13 H new ATOM 0 HG13 VAL A 38 1.251 -9.833 -13.621 1.00 65.13 H new ATOM 0 HG21 VAL A 38 0.657 -9.381 -16.671 1.00 10.25 H new ATOM 0 HG22 VAL A 38 -0.618 -9.168 -15.448 1.00 10.25 H new ATOM 0 HG23 VAL A 38 -0.220 -7.837 -16.560 1.00 10.25 H new ATOM 569 N TYR A 39 -1.778 -7.535 -13.679 1.00 25.12 N ATOM 570 CA TYR A 39 -3.014 -8.002 -13.027 1.00 63.10 C ATOM 571 C TYR A 39 -2.986 -9.523 -12.765 1.00 25.33 C ATOM 572 O TYR A 39 -3.648 -9.991 -11.849 1.00 11.20 O ATOM 573 CB TYR A 39 -4.257 -7.628 -13.885 1.00 11.02 C ATOM 574 CG TYR A 39 -4.384 -8.439 -15.194 1.00 22.21 C ATOM 575 CD1 TYR A 39 -3.556 -8.181 -16.291 1.00 13.30 C ATOM 576 CD2 TYR A 39 -5.301 -9.490 -15.304 1.00 43.22 C ATOM 577 CE1 TYR A 39 -3.645 -8.933 -17.443 1.00 24.24 C ATOM 578 CE2 TYR A 39 -5.387 -10.247 -16.448 1.00 35.05 C ATOM 579 CZ TYR A 39 -4.562 -9.964 -17.516 1.00 34.01 C ATOM 580 OH TYR A 39 -4.639 -10.726 -18.657 1.00 34.22 O ATOM 0 H TYR A 39 -1.945 -7.049 -14.560 1.00 25.12 H new ATOM 0 HA TYR A 39 -3.082 -7.501 -12.062 1.00 63.10 H new ATOM 0 HB2 TYR A 39 -5.156 -7.778 -13.288 1.00 11.02 H new ATOM 0 HB3 TYR A 39 -4.211 -6.567 -14.130 1.00 11.02 H new ATOM 0 HD1 TYR A 39 -2.835 -7.379 -16.235 1.00 13.30 H new ATOM 0 HD2 TYR A 39 -5.955 -9.711 -14.473 1.00 43.22 H new ATOM 0 HE1 TYR A 39 -3.002 -8.718 -18.283 1.00 24.24 H new ATOM 0 HE2 TYR A 39 -6.097 -11.059 -16.510 1.00 35.05 H new ATOM 0 HH TYR A 39 -5.333 -11.410 -18.548 1.00 34.22 H new ATOM 590 N THR A 40 -2.224 -10.279 -13.593 1.00 41.03 N ATOM 591 CA THR A 40 -2.101 -11.734 -13.451 1.00 61.32 C ATOM 592 C THR A 40 -1.355 -12.086 -12.152 1.00 65.15 C ATOM 593 O THR A 40 -1.933 -12.705 -11.268 1.00 43.34 O ATOM 594 CB THR A 40 -1.372 -12.376 -14.678 1.00 30.24 C ATOM 595 OG1 THR A 40 -0.085 -11.767 -14.854 1.00 12.23 O ATOM 596 CG2 THR A 40 -2.185 -12.232 -15.976 1.00 2.10 C ATOM 0 H THR A 40 -1.686 -9.893 -14.368 1.00 41.03 H new ATOM 0 HA THR A 40 -3.110 -12.145 -13.408 1.00 61.32 H new ATOM 0 HB THR A 40 -1.261 -13.440 -14.469 1.00 30.24 H new ATOM 0 HG1 THR A 40 0.367 -12.174 -15.622 1.00 12.23 H new ATOM 0 HG21 THR A 40 -1.640 -12.692 -16.800 1.00 2.10 H new ATOM 0 HG22 THR A 40 -3.149 -12.726 -15.858 1.00 2.10 H new ATOM 0 HG23 THR A 40 -2.343 -11.175 -16.191 1.00 2.10 H new ATOM 604 N THR A 41 -0.093 -11.625 -12.026 1.00 63.10 N ATOM 605 CA THR A 41 0.752 -11.894 -10.846 1.00 12.20 C ATOM 606 C THR A 41 0.128 -11.302 -9.560 1.00 42.14 C ATOM 607 O THR A 41 0.260 -11.878 -8.474 1.00 32.52 O ATOM 608 CB THR A 41 2.193 -11.333 -11.071 1.00 10.32 C ATOM 609 OG1 THR A 41 2.730 -11.880 -12.292 1.00 11.21 O ATOM 610 CG2 THR A 41 3.148 -11.659 -9.907 1.00 64.14 C ATOM 0 H THR A 41 0.367 -11.057 -12.738 1.00 63.10 H new ATOM 0 HA THR A 41 0.815 -12.974 -10.715 1.00 12.20 H new ATOM 0 HB THR A 41 2.113 -10.248 -11.131 1.00 10.32 H new ATOM 0 HG1 THR A 41 3.633 -11.529 -12.438 1.00 11.21 H new ATOM 0 HG21 THR A 41 4.134 -11.245 -10.118 1.00 64.14 H new ATOM 0 HG22 THR A 41 2.761 -11.223 -8.986 1.00 64.14 H new ATOM 0 HG23 THR A 41 3.226 -12.740 -9.792 1.00 64.14 H new ATOM 618 N PHE A 42 -0.573 -10.171 -9.724 1.00 35.02 N ATOM 619 CA PHE A 42 -1.322 -9.510 -8.651 1.00 41.14 C ATOM 620 C PHE A 42 -2.471 -10.415 -8.153 1.00 2.20 C ATOM 621 O PHE A 42 -2.561 -10.706 -6.962 1.00 34.40 O ATOM 622 CB PHE A 42 -1.865 -8.148 -9.172 1.00 13.42 C ATOM 623 CG PHE A 42 -2.771 -7.394 -8.200 1.00 31.21 C ATOM 624 CD1 PHE A 42 -2.261 -6.869 -7.014 1.00 65.13 C ATOM 625 CD2 PHE A 42 -4.132 -7.202 -8.474 1.00 14.42 C ATOM 626 CE1 PHE A 42 -3.076 -6.184 -6.139 1.00 45.43 C ATOM 627 CE2 PHE A 42 -4.945 -6.513 -7.591 1.00 44.41 C ATOM 628 CZ PHE A 42 -4.415 -6.001 -6.423 1.00 2.41 C ATOM 0 H PHE A 42 -0.635 -9.685 -10.619 1.00 35.02 H new ATOM 0 HA PHE A 42 -0.660 -9.327 -7.804 1.00 41.14 H new ATOM 0 HB2 PHE A 42 -1.018 -7.510 -9.424 1.00 13.42 H new ATOM 0 HB3 PHE A 42 -2.417 -8.324 -10.095 1.00 13.42 H new ATOM 0 HD1 PHE A 42 -1.215 -7.000 -6.778 1.00 65.13 H new ATOM 0 HD2 PHE A 42 -4.552 -7.597 -9.387 1.00 14.42 H new ATOM 0 HE1 PHE A 42 -2.664 -5.787 -5.223 1.00 45.43 H new ATOM 0 HE2 PHE A 42 -5.993 -6.376 -7.815 1.00 44.41 H new ATOM 0 HZ PHE A 42 -5.046 -5.459 -5.734 1.00 2.41 H new ATOM 638 N ARG A 43 -3.305 -10.885 -9.101 1.00 51.24 N ATOM 639 CA ARG A 43 -4.542 -11.627 -8.795 1.00 51.25 C ATOM 640 C ARG A 43 -4.221 -13.025 -8.239 1.00 22.55 C ATOM 641 O ARG A 43 -4.738 -13.392 -7.195 1.00 70.35 O ATOM 642 CB ARG A 43 -5.433 -11.737 -10.057 1.00 51.15 C ATOM 643 CG ARG A 43 -6.841 -12.326 -9.812 1.00 63.41 C ATOM 644 CD ARG A 43 -7.605 -12.578 -11.120 1.00 0.33 C ATOM 645 NE ARG A 43 -7.804 -11.345 -11.915 1.00 13.55 N ATOM 646 CZ ARG A 43 -7.901 -11.311 -13.260 1.00 22.14 C ATOM 647 NH1 ARG A 43 -7.807 -12.423 -13.978 1.00 25.15 N ATOM 648 NH2 ARG A 43 -8.124 -10.161 -13.869 1.00 73.00 N ATOM 0 H ARG A 43 -3.139 -10.761 -10.100 1.00 51.24 H new ATOM 0 HA ARG A 43 -5.089 -11.075 -8.030 1.00 51.25 H new ATOM 0 HB2 ARG A 43 -5.542 -10.745 -10.495 1.00 51.15 H new ATOM 0 HB3 ARG A 43 -4.920 -12.356 -10.793 1.00 51.15 H new ATOM 0 HG2 ARG A 43 -6.750 -13.262 -9.261 1.00 63.41 H new ATOM 0 HG3 ARG A 43 -7.414 -11.642 -9.185 1.00 63.41 H new ATOM 0 HD2 ARG A 43 -7.060 -13.307 -11.719 1.00 0.33 H new ATOM 0 HD3 ARG A 43 -8.576 -13.017 -10.890 1.00 0.33 H new ATOM 0 HE ARG A 43 -7.872 -10.461 -11.411 1.00 13.55 H new ATOM 0 HH11 ARG A 43 -7.659 -13.319 -13.514 1.00 25.15 H new ATOM 0 HH12 ARG A 43 -7.882 -12.382 -14.994 1.00 25.15 H new ATOM 0 HH21 ARG A 43 -8.222 -9.305 -13.323 1.00 73.00 H new ATOM 0 HH22 ARG A 43 -8.198 -10.128 -14.886 1.00 73.00 H new ATOM 662 N ASN A 44 -3.338 -13.769 -8.947 1.00 35.42 N ATOM 663 CA ASN A 44 -2.934 -15.148 -8.571 1.00 40.01 C ATOM 664 C ASN A 44 -2.296 -15.201 -7.165 1.00 1.03 C ATOM 665 O ASN A 44 -2.427 -16.209 -6.464 1.00 43.14 O ATOM 666 CB ASN A 44 -1.958 -15.769 -9.617 1.00 1.53 C ATOM 667 CG ASN A 44 -2.634 -16.162 -10.938 1.00 74.32 C ATOM 668 OD1 ASN A 44 -3.269 -17.206 -11.028 1.00 13.22 O ATOM 669 ND2 ASN A 44 -2.446 -15.384 -11.988 1.00 44.30 N ATOM 0 H ASN A 44 -2.885 -13.431 -9.796 1.00 35.42 H new ATOM 0 HA ASN A 44 -3.849 -15.740 -8.555 1.00 40.01 H new ATOM 0 HB2 ASN A 44 -1.161 -15.055 -9.826 1.00 1.53 H new ATOM 0 HB3 ASN A 44 -1.489 -16.652 -9.183 1.00 1.53 H new ATOM 0 HD21 ASN A 44 -2.832 -15.648 -12.894 1.00 44.30 H new ATOM 0 HD22 ASN A 44 -1.914 -14.519 -11.893 1.00 44.30 H new ATOM 676 N ALA A 45 -1.612 -14.103 -6.778 1.00 3.23 N ATOM 677 CA ALA A 45 -1.024 -13.952 -5.431 1.00 45.31 C ATOM 678 C ALA A 45 -2.117 -13.975 -4.351 1.00 31.43 C ATOM 679 O ALA A 45 -2.019 -14.693 -3.356 1.00 61.43 O ATOM 680 CB ALA A 45 -0.233 -12.639 -5.348 1.00 12.22 C ATOM 0 H ALA A 45 -1.453 -13.301 -7.387 1.00 3.23 H new ATOM 0 HA ALA A 45 -0.350 -14.790 -5.255 1.00 45.31 H new ATOM 0 HB1 ALA A 45 0.197 -12.536 -4.352 1.00 12.22 H new ATOM 0 HB2 ALA A 45 0.566 -12.648 -6.089 1.00 12.22 H new ATOM 0 HB3 ALA A 45 -0.900 -11.799 -5.544 1.00 12.22 H new ATOM 686 N ILE A 46 -3.171 -13.198 -4.592 1.00 4.01 N ATOM 687 CA ILE A 46 -4.276 -13.015 -3.645 1.00 43.15 C ATOM 688 C ILE A 46 -5.216 -14.254 -3.667 1.00 33.42 C ATOM 689 O ILE A 46 -5.799 -14.619 -2.647 1.00 4.05 O ATOM 690 CB ILE A 46 -5.042 -11.684 -3.989 1.00 41.33 C ATOM 691 CG1 ILE A 46 -4.036 -10.502 -4.158 1.00 75.02 C ATOM 692 CG2 ILE A 46 -6.087 -11.338 -2.908 1.00 71.40 C ATOM 693 CD1 ILE A 46 -4.649 -9.210 -4.657 1.00 22.04 C ATOM 0 H ILE A 46 -3.286 -12.671 -5.458 1.00 4.01 H new ATOM 0 HA ILE A 46 -3.886 -12.928 -2.631 1.00 43.15 H new ATOM 0 HB ILE A 46 -5.569 -11.841 -4.930 1.00 41.33 H new ATOM 0 HG12 ILE A 46 -3.556 -10.312 -3.198 1.00 75.02 H new ATOM 0 HG13 ILE A 46 -3.252 -10.807 -4.852 1.00 75.02 H new ATOM 0 HG21 ILE A 46 -6.597 -10.413 -3.178 1.00 71.40 H new ATOM 0 HG22 ILE A 46 -6.815 -12.146 -2.834 1.00 71.40 H new ATOM 0 HG23 ILE A 46 -5.588 -11.210 -1.947 1.00 71.40 H new ATOM 0 HD11 ILE A 46 -3.874 -8.449 -4.742 1.00 22.04 H new ATOM 0 HD12 ILE A 46 -5.104 -9.376 -5.634 1.00 22.04 H new ATOM 0 HD13 ILE A 46 -5.412 -8.874 -3.954 1.00 22.04 H new ATOM 705 N LEU A 47 -5.296 -14.923 -4.839 1.00 30.11 N ATOM 706 CA LEU A 47 -6.062 -16.179 -5.015 1.00 60.55 C ATOM 707 C LEU A 47 -5.350 -17.361 -4.341 1.00 65.14 C ATOM 708 O LEU A 47 -5.991 -18.337 -3.955 1.00 21.15 O ATOM 709 CB LEU A 47 -6.281 -16.492 -6.521 1.00 1.10 C ATOM 710 CG LEU A 47 -7.217 -15.520 -7.293 1.00 73.23 C ATOM 711 CD1 LEU A 47 -7.346 -15.933 -8.773 1.00 52.15 C ATOM 712 CD2 LEU A 47 -8.598 -15.414 -6.614 1.00 51.25 C ATOM 0 H LEU A 47 -4.831 -14.608 -5.690 1.00 30.11 H new ATOM 0 HA LEU A 47 -7.032 -16.036 -4.539 1.00 60.55 H new ATOM 0 HB2 LEU A 47 -5.309 -16.497 -7.015 1.00 1.10 H new ATOM 0 HB3 LEU A 47 -6.687 -17.500 -6.606 1.00 1.10 H new ATOM 0 HG LEU A 47 -6.764 -14.529 -7.265 1.00 73.23 H new ATOM 0 HD11 LEU A 47 -8.006 -15.236 -9.289 1.00 52.15 H new ATOM 0 HD12 LEU A 47 -6.362 -15.916 -9.242 1.00 52.15 H new ATOM 0 HD13 LEU A 47 -7.761 -16.939 -8.835 1.00 52.15 H new ATOM 0 HD21 LEU A 47 -9.229 -14.727 -7.178 1.00 51.25 H new ATOM 0 HD22 LEU A 47 -9.067 -16.398 -6.587 1.00 51.25 H new ATOM 0 HD23 LEU A 47 -8.476 -15.042 -5.597 1.00 51.25 H new ATOM 724 N LYS A 48 -4.012 -17.253 -4.221 1.00 15.11 N ATOM 725 CA LYS A 48 -3.169 -18.258 -3.535 1.00 42.43 C ATOM 726 C LYS A 48 -3.557 -18.382 -2.049 1.00 0.11 C ATOM 727 O LYS A 48 -3.402 -19.439 -1.437 1.00 33.43 O ATOM 728 CB LYS A 48 -1.677 -17.866 -3.687 1.00 61.40 C ATOM 729 CG LYS A 48 -0.652 -18.881 -3.122 1.00 52.25 C ATOM 730 CD LYS A 48 0.815 -18.438 -3.359 1.00 15.32 C ATOM 731 CE LYS A 48 1.153 -18.258 -4.852 1.00 71.14 C ATOM 732 NZ LYS A 48 2.584 -17.913 -5.068 1.00 70.41 N ATOM 0 H LYS A 48 -3.483 -16.466 -4.597 1.00 15.11 H new ATOM 0 HA LYS A 48 -3.331 -19.232 -3.996 1.00 42.43 H new ATOM 0 HB2 LYS A 48 -1.466 -17.717 -4.746 1.00 61.40 H new ATOM 0 HB3 LYS A 48 -1.521 -16.907 -3.193 1.00 61.40 H new ATOM 0 HG2 LYS A 48 -0.822 -19.007 -2.053 1.00 52.25 H new ATOM 0 HG3 LYS A 48 -0.814 -19.853 -3.587 1.00 52.25 H new ATOM 0 HD2 LYS A 48 0.995 -17.499 -2.835 1.00 15.32 H new ATOM 0 HD3 LYS A 48 1.487 -19.179 -2.926 1.00 15.32 H new ATOM 0 HE2 LYS A 48 0.918 -19.177 -5.389 1.00 71.14 H new ATOM 0 HE3 LYS A 48 0.525 -17.473 -5.273 1.00 71.14 H new ATOM 0 HZ1 LYS A 48 2.764 -17.802 -6.086 1.00 70.41 H new ATOM 0 HZ2 LYS A 48 2.804 -17.022 -4.578 1.00 70.41 H new ATOM 0 HZ3 LYS A 48 3.185 -18.673 -4.691 1.00 70.41 H new ATOM 785 N LYS A 52 -9.239 -12.485 -0.330 1.00 22.51 N ATOM 786 CA LYS A 52 -9.511 -12.086 -1.736 1.00 74.50 C ATOM 787 C LYS A 52 -9.570 -10.552 -1.857 1.00 52.34 C ATOM 788 O LYS A 52 -10.258 -9.999 -2.729 1.00 3.13 O ATOM 789 CB LYS A 52 -10.819 -12.760 -2.236 1.00 71.34 C ATOM 790 CG LYS A 52 -10.783 -14.308 -2.170 1.00 13.05 C ATOM 791 CD LYS A 52 -9.621 -14.914 -3.004 1.00 33.22 C ATOM 792 CE LYS A 52 -9.501 -16.440 -2.843 1.00 74.13 C ATOM 793 NZ LYS A 52 -10.732 -17.159 -3.265 1.00 10.20 N ATOM 0 HA LYS A 52 -8.696 -12.430 -2.373 1.00 74.50 H new ATOM 0 HB2 LYS A 52 -11.656 -12.398 -1.638 1.00 71.34 H new ATOM 0 HB3 LYS A 52 -11.006 -12.453 -3.265 1.00 71.34 H new ATOM 0 HG2 LYS A 52 -10.682 -14.622 -1.131 1.00 13.05 H new ATOM 0 HG3 LYS A 52 -11.731 -14.706 -2.532 1.00 13.05 H new ATOM 0 HD2 LYS A 52 -9.773 -14.676 -4.057 1.00 33.22 H new ATOM 0 HD3 LYS A 52 -8.683 -14.447 -2.704 1.00 33.22 H new ATOM 0 HE2 LYS A 52 -8.656 -16.798 -3.431 1.00 74.13 H new ATOM 0 HE3 LYS A 52 -9.287 -16.676 -1.801 1.00 74.13 H new ATOM 0 HZ1 LYS A 52 -10.592 -18.183 -3.152 1.00 10.20 H new ATOM 0 HZ2 LYS A 52 -11.532 -16.852 -2.676 1.00 10.20 H new ATOM 0 HZ3 LYS A 52 -10.934 -16.945 -4.262 1.00 10.20 H new ATOM 807 N VAL A 53 -8.789 -9.875 -0.991 1.00 50.31 N ATOM 808 CA VAL A 53 -8.637 -8.419 -0.998 1.00 3.45 C ATOM 809 C VAL A 53 -7.200 -8.031 -0.580 1.00 11.30 C ATOM 810 O VAL A 53 -6.646 -8.567 0.387 1.00 14.24 O ATOM 811 CB VAL A 53 -9.715 -7.707 -0.082 1.00 31.21 C ATOM 812 CG1 VAL A 53 -9.718 -8.238 1.370 1.00 23.23 C ATOM 813 CG2 VAL A 53 -9.553 -6.170 -0.107 1.00 70.34 C ATOM 0 H VAL A 53 -8.243 -10.335 -0.262 1.00 50.31 H new ATOM 0 HA VAL A 53 -8.810 -8.068 -2.016 1.00 3.45 H new ATOM 0 HB VAL A 53 -10.686 -7.957 -0.509 1.00 31.21 H new ATOM 0 HG11 VAL A 53 -10.477 -7.712 1.948 1.00 23.23 H new ATOM 0 HG12 VAL A 53 -9.939 -9.305 1.367 1.00 23.23 H new ATOM 0 HG13 VAL A 53 -8.739 -8.072 1.820 1.00 23.23 H new ATOM 0 HG21 VAL A 53 -10.309 -5.714 0.532 1.00 70.34 H new ATOM 0 HG22 VAL A 53 -8.561 -5.903 0.257 1.00 70.34 H new ATOM 0 HG23 VAL A 53 -9.675 -5.808 -1.128 1.00 70.34 H new ATOM 823 N ALA A 54 -6.614 -7.101 -1.342 1.00 51.12 N ATOM 824 CA ALA A 54 -5.303 -6.500 -1.072 1.00 12.34 C ATOM 825 C ALA A 54 -5.494 -5.085 -0.530 1.00 64.10 C ATOM 826 O ALA A 54 -6.603 -4.543 -0.543 1.00 70.44 O ATOM 827 CB ALA A 54 -4.464 -6.456 -2.354 1.00 32.43 C ATOM 0 H ALA A 54 -7.051 -6.735 -2.188 1.00 51.12 H new ATOM 0 HA ALA A 54 -4.780 -7.106 -0.333 1.00 12.34 H new ATOM 0 HB1 ALA A 54 -3.494 -6.008 -2.139 1.00 32.43 H new ATOM 0 HB2 ALA A 54 -4.320 -7.469 -2.730 1.00 32.43 H new ATOM 0 HB3 ALA A 54 -4.980 -5.860 -3.106 1.00 32.43 H new ATOM 833 N TYR A 55 -4.406 -4.504 -0.030 1.00 33.32 N ATOM 834 CA TYR A 55 -4.390 -3.180 0.592 1.00 62.12 C ATOM 835 C TYR A 55 -3.101 -2.473 0.188 1.00 3.25 C ATOM 836 O TYR A 55 -2.005 -2.869 0.609 1.00 75.42 O ATOM 837 CB TYR A 55 -4.509 -3.293 2.139 1.00 4.01 C ATOM 838 CG TYR A 55 -5.889 -3.784 2.605 1.00 22.35 C ATOM 839 CD1 TYR A 55 -6.938 -2.887 2.825 1.00 2.02 C ATOM 840 CD2 TYR A 55 -6.155 -5.144 2.794 1.00 45.04 C ATOM 841 CE1 TYR A 55 -8.188 -3.326 3.207 1.00 63.52 C ATOM 842 CE2 TYR A 55 -7.403 -5.583 3.178 1.00 63.12 C ATOM 843 CZ TYR A 55 -8.415 -4.675 3.382 1.00 11.54 C ATOM 844 OH TYR A 55 -9.665 -5.120 3.751 1.00 53.14 O ATOM 0 H TYR A 55 -3.489 -4.950 -0.046 1.00 33.32 H new ATOM 0 HA TYR A 55 -5.246 -2.599 0.248 1.00 62.12 H new ATOM 0 HB2 TYR A 55 -3.744 -3.977 2.507 1.00 4.01 H new ATOM 0 HB3 TYR A 55 -4.307 -2.319 2.585 1.00 4.01 H new ATOM 0 HD1 TYR A 55 -6.766 -1.829 2.693 1.00 2.02 H new ATOM 0 HD2 TYR A 55 -5.366 -5.864 2.636 1.00 45.04 H new ATOM 0 HE1 TYR A 55 -8.986 -2.616 3.368 1.00 63.52 H new ATOM 0 HE2 TYR A 55 -7.586 -6.638 3.318 1.00 63.12 H new ATOM 0 HH TYR A 55 -10.349 -4.623 3.255 1.00 53.14 H new ATOM 854 N LEU A 56 -3.247 -1.468 -0.679 1.00 72.14 N ATOM 855 CA LEU A 56 -2.131 -0.679 -1.189 1.00 51.42 C ATOM 856 C LEU A 56 -1.723 0.362 -0.136 1.00 32.33 C ATOM 857 O LEU A 56 -2.417 1.368 0.067 1.00 24.15 O ATOM 858 CB LEU A 56 -2.534 -0.010 -2.527 1.00 43.12 C ATOM 859 CG LEU A 56 -1.419 0.791 -3.266 1.00 13.21 C ATOM 860 CD1 LEU A 56 -0.186 -0.085 -3.552 1.00 14.14 C ATOM 861 CD2 LEU A 56 -1.970 1.420 -4.559 1.00 22.22 C ATOM 0 H LEU A 56 -4.153 -1.179 -1.048 1.00 72.14 H new ATOM 0 HA LEU A 56 -1.272 -1.322 -1.383 1.00 51.42 H new ATOM 0 HB2 LEU A 56 -2.900 -0.785 -3.200 1.00 43.12 H new ATOM 0 HB3 LEU A 56 -3.368 0.665 -2.334 1.00 43.12 H new ATOM 0 HG LEU A 56 -1.094 1.596 -2.607 1.00 13.21 H new ATOM 0 HD11 LEU A 56 0.570 0.508 -4.068 1.00 14.14 H new ATOM 0 HD12 LEU A 56 0.223 -0.456 -2.612 1.00 14.14 H new ATOM 0 HD13 LEU A 56 -0.476 -0.928 -4.179 1.00 14.14 H new ATOM 0 HD21 LEU A 56 -1.177 1.975 -5.060 1.00 22.22 H new ATOM 0 HD22 LEU A 56 -2.336 0.633 -5.219 1.00 22.22 H new ATOM 0 HD23 LEU A 56 -2.788 2.098 -4.314 1.00 22.22 H new ATOM 873 N VAL A 57 -0.619 0.068 0.566 1.00 54.12 N ATOM 874 CA VAL A 57 -0.076 0.920 1.631 1.00 5.24 C ATOM 875 C VAL A 57 1.021 1.824 1.050 1.00 71.53 C ATOM 876 O VAL A 57 2.013 1.325 0.499 1.00 3.25 O ATOM 877 CB VAL A 57 0.507 0.054 2.813 1.00 14.32 C ATOM 878 CG1 VAL A 57 0.989 0.949 3.989 1.00 32.52 C ATOM 879 CG2 VAL A 57 -0.529 -0.992 3.290 1.00 71.01 C ATOM 0 H VAL A 57 -0.072 -0.778 0.407 1.00 54.12 H new ATOM 0 HA VAL A 57 -0.884 1.532 2.032 1.00 5.24 H new ATOM 0 HB VAL A 57 1.378 -0.482 2.436 1.00 14.32 H new ATOM 0 HG11 VAL A 57 1.385 0.320 4.786 1.00 32.52 H new ATOM 0 HG12 VAL A 57 1.770 1.623 3.637 1.00 32.52 H new ATOM 0 HG13 VAL A 57 0.151 1.533 4.369 1.00 32.52 H new ATOM 0 HG21 VAL A 57 -0.105 -1.578 4.106 1.00 71.01 H new ATOM 0 HG22 VAL A 57 -1.427 -0.482 3.638 1.00 71.01 H new ATOM 0 HG23 VAL A 57 -0.785 -1.654 2.463 1.00 71.01 H new ATOM 889 N MET A 58 0.820 3.147 1.149 1.00 61.55 N ATOM 890 CA MET A 58 1.811 4.155 0.742 1.00 24.45 C ATOM 891 C MET A 58 2.001 5.183 1.866 1.00 45.04 C ATOM 892 O MET A 58 1.273 5.171 2.857 1.00 51.11 O ATOM 893 CB MET A 58 1.375 4.868 -0.577 1.00 4.14 C ATOM 894 CG MET A 58 0.163 5.824 -0.470 1.00 34.13 C ATOM 895 SD MET A 58 -1.408 4.978 -0.214 1.00 11.00 S ATOM 896 CE MET A 58 -1.636 4.139 -1.775 1.00 63.31 C ATOM 0 H MET A 58 -0.042 3.550 1.517 1.00 61.55 H new ATOM 0 HA MET A 58 2.759 3.651 0.554 1.00 24.45 H new ATOM 0 HB2 MET A 58 2.225 5.434 -0.957 1.00 4.14 H new ATOM 0 HB3 MET A 58 1.144 4.104 -1.319 1.00 4.14 H new ATOM 0 HG2 MET A 58 0.330 6.518 0.354 1.00 34.13 H new ATOM 0 HG3 MET A 58 0.100 6.420 -1.380 1.00 34.13 H new ATOM 0 HE1 MET A 58 -2.275 3.268 -1.630 1.00 63.31 H new ATOM 0 HE2 MET A 58 -2.104 4.818 -2.488 1.00 63.31 H new ATOM 0 HE3 MET A 58 -0.668 3.818 -2.161 1.00 63.31 H new ATOM 906 N ASP A 59 2.998 6.055 1.706 1.00 51.41 N ATOM 907 CA ASP A 59 3.190 7.240 2.565 1.00 74.05 C ATOM 908 C ASP A 59 2.461 8.448 1.956 1.00 31.55 C ATOM 909 O ASP A 59 1.900 8.357 0.854 1.00 74.41 O ATOM 910 CB ASP A 59 4.703 7.543 2.734 1.00 51.41 C ATOM 911 CG ASP A 59 5.425 7.723 1.385 1.00 14.02 C ATOM 912 OD1 ASP A 59 5.807 6.707 0.760 1.00 71.15 O ATOM 913 OD2 ASP A 59 5.571 8.864 0.926 1.00 21.14 O ATOM 0 H ASP A 59 3.703 5.964 0.974 1.00 51.41 H new ATOM 0 HA ASP A 59 2.770 7.038 3.550 1.00 74.05 H new ATOM 0 HB2 ASP A 59 4.824 8.447 3.330 1.00 51.41 H new ATOM 0 HB3 ASP A 59 5.173 6.730 3.288 1.00 51.41 H new ATOM 918 N GLU A 60 2.508 9.582 2.669 1.00 60.41 N ATOM 919 CA GLU A 60 1.832 10.825 2.269 1.00 63.11 C ATOM 920 C GLU A 60 2.422 11.425 0.975 1.00 51.33 C ATOM 921 O GLU A 60 1.673 11.967 0.165 1.00 52.40 O ATOM 922 CB GLU A 60 1.885 11.853 3.428 1.00 65.10 C ATOM 923 CG GLU A 60 1.162 13.190 3.142 1.00 64.11 C ATOM 924 CD GLU A 60 1.180 14.170 4.326 1.00 45.33 C ATOM 925 OE1 GLU A 60 2.237 14.787 4.574 1.00 34.22 O ATOM 926 OE2 GLU A 60 0.149 14.326 5.004 1.00 1.43 O ATOM 0 H GLU A 60 3.021 9.663 3.547 1.00 60.41 H new ATOM 0 HA GLU A 60 0.792 10.580 2.054 1.00 63.11 H new ATOM 0 HB2 GLU A 60 1.445 11.401 4.317 1.00 65.10 H new ATOM 0 HB3 GLU A 60 2.929 12.063 3.661 1.00 65.10 H new ATOM 0 HG2 GLU A 60 1.628 13.667 2.280 1.00 64.11 H new ATOM 0 HG3 GLU A 60 0.127 12.982 2.870 1.00 64.11 H new ATOM 933 N ARG A 61 3.751 11.296 0.772 1.00 62.23 N ATOM 934 CA ARG A 61 4.435 11.876 -0.414 1.00 65.11 C ATOM 935 C ARG A 61 4.067 11.096 -1.690 1.00 42.13 C ATOM 936 O ARG A 61 3.874 11.689 -2.757 1.00 64.12 O ATOM 937 CB ARG A 61 5.972 11.898 -0.212 1.00 61.13 C ATOM 938 CG ARG A 61 6.451 12.732 0.998 1.00 20.35 C ATOM 939 CD ARG A 61 6.022 14.206 0.916 1.00 41.00 C ATOM 940 NE ARG A 61 6.501 14.846 -0.329 1.00 30.43 N ATOM 941 CZ ARG A 61 5.964 15.937 -0.901 1.00 45.43 C ATOM 942 NH1 ARG A 61 4.919 16.556 -0.368 1.00 74.24 N ATOM 943 NH2 ARG A 61 6.475 16.395 -2.034 1.00 13.22 N ATOM 0 H ARG A 61 4.373 10.798 1.409 1.00 62.23 H new ATOM 0 HA ARG A 61 4.094 12.905 -0.530 1.00 65.11 H new ATOM 0 HB2 ARG A 61 6.324 10.873 -0.092 1.00 61.13 H new ATOM 0 HB3 ARG A 61 6.438 12.292 -1.115 1.00 61.13 H new ATOM 0 HG2 ARG A 61 6.055 12.294 1.914 1.00 20.35 H new ATOM 0 HG3 ARG A 61 7.538 12.678 1.063 1.00 20.35 H new ATOM 0 HD2 ARG A 61 4.935 14.272 0.964 1.00 41.00 H new ATOM 0 HD3 ARG A 61 6.413 14.747 1.777 1.00 41.00 H new ATOM 0 HE ARG A 61 7.306 14.424 -0.792 1.00 30.43 H new ATOM 0 HH11 ARG A 61 4.505 16.206 0.496 1.00 74.24 H new ATOM 0 HH12 ARG A 61 4.530 17.382 -0.822 1.00 74.24 H new ATOM 0 HH21 ARG A 61 7.269 15.920 -2.464 1.00 13.22 H new ATOM 0 HH22 ARG A 61 6.075 17.222 -2.476 1.00 13.22 H new ATOM 957 N THR A 62 3.950 9.765 -1.564 1.00 3.44 N ATOM 958 CA THR A 62 3.453 8.903 -2.649 1.00 63.10 C ATOM 959 C THR A 62 1.972 9.226 -2.945 1.00 53.54 C ATOM 960 O THR A 62 1.555 9.272 -4.113 1.00 24.35 O ATOM 961 CB THR A 62 3.641 7.397 -2.289 1.00 33.15 C ATOM 962 OG1 THR A 62 5.039 7.127 -2.091 1.00 13.32 O ATOM 963 CG2 THR A 62 3.086 6.447 -3.373 1.00 34.34 C ATOM 0 H THR A 62 4.195 9.258 -0.713 1.00 3.44 H new ATOM 0 HA THR A 62 4.034 9.101 -3.550 1.00 63.10 H new ATOM 0 HB THR A 62 3.075 7.210 -1.376 1.00 33.15 H new ATOM 0 HG1 THR A 62 5.208 6.955 -1.141 1.00 13.32 H new ATOM 0 HG21 THR A 62 3.245 5.413 -3.067 1.00 34.34 H new ATOM 0 HG22 THR A 62 2.019 6.627 -3.502 1.00 34.34 H new ATOM 0 HG23 THR A 62 3.602 6.630 -4.316 1.00 34.34 H new ATOM 971 N TRP A 63 1.208 9.504 -1.865 1.00 32.31 N ATOM 972 CA TRP A 63 -0.199 9.914 -1.948 1.00 10.53 C ATOM 973 C TRP A 63 -0.352 11.266 -2.676 1.00 34.41 C ATOM 974 O TRP A 63 -1.347 11.472 -3.370 1.00 30.44 O ATOM 975 CB TRP A 63 -0.827 9.983 -0.535 1.00 22.42 C ATOM 976 CG TRP A 63 -2.252 10.494 -0.520 1.00 52.51 C ATOM 977 CD1 TRP A 63 -2.682 11.743 -0.158 1.00 35.24 C ATOM 978 CD2 TRP A 63 -3.422 9.770 -0.919 1.00 5.04 C ATOM 979 NE1 TRP A 63 -4.043 11.827 -0.286 1.00 2.54 N ATOM 980 CE2 TRP A 63 -4.519 10.635 -0.758 1.00 52.12 C ATOM 981 CE3 TRP A 63 -3.647 8.478 -1.399 1.00 43.21 C ATOM 982 CZ2 TRP A 63 -5.817 10.245 -1.044 1.00 15.04 C ATOM 983 CZ3 TRP A 63 -4.938 8.094 -1.688 1.00 14.25 C ATOM 984 CH2 TRP A 63 -6.007 8.978 -1.517 1.00 72.33 C ATOM 0 H TRP A 63 1.559 9.448 -0.909 1.00 32.31 H new ATOM 0 HA TRP A 63 -0.731 9.162 -2.531 1.00 10.53 H new ATOM 0 HB2 TRP A 63 -0.803 8.989 -0.089 1.00 22.42 H new ATOM 0 HB3 TRP A 63 -0.213 10.629 0.093 1.00 22.42 H new ATOM 0 HD1 TRP A 63 -2.041 12.545 0.179 1.00 35.24 H new ATOM 0 HE1 TRP A 63 -4.610 12.646 -0.065 1.00 2.54 H new ATOM 0 HE3 TRP A 63 -2.824 7.793 -1.541 1.00 43.21 H new ATOM 0 HZ2 TRP A 63 -6.649 10.918 -0.898 1.00 15.04 H new ATOM 0 HZ3 TRP A 63 -5.127 7.095 -2.052 1.00 14.25 H new ATOM 0 HH2 TRP A 63 -7.006 8.652 -1.765 1.00 72.33 H new ATOM 995 N LYS A 64 0.641 12.172 -2.527 1.00 63.12 N ATOM 996 CA LYS A 64 0.645 13.477 -3.226 1.00 13.55 C ATOM 997 C LYS A 64 0.593 13.315 -4.753 1.00 32.10 C ATOM 998 O LYS A 64 0.282 14.271 -5.462 1.00 3.25 O ATOM 999 CB LYS A 64 1.867 14.345 -2.815 1.00 61.24 C ATOM 1000 CG LYS A 64 1.907 14.731 -1.321 1.00 21.13 C ATOM 1001 CD LYS A 64 0.549 15.289 -0.815 1.00 31.21 C ATOM 1002 CE LYS A 64 0.641 15.939 0.564 1.00 21.22 C ATOM 1003 NZ LYS A 64 -0.663 16.495 0.998 1.00 24.24 N ATOM 0 H LYS A 64 1.452 12.022 -1.927 1.00 63.12 H new ATOM 0 HA LYS A 64 -0.262 13.995 -2.915 1.00 13.55 H new ATOM 0 HB2 LYS A 64 2.780 13.803 -3.061 1.00 61.24 H new ATOM 0 HB3 LYS A 64 1.866 15.257 -3.412 1.00 61.24 H new ATOM 0 HG2 LYS A 64 2.180 13.857 -0.730 1.00 21.13 H new ATOM 0 HG3 LYS A 64 2.685 15.478 -1.163 1.00 21.13 H new ATOM 0 HD2 LYS A 64 0.175 16.022 -1.530 1.00 31.21 H new ATOM 0 HD3 LYS A 64 -0.179 14.478 -0.779 1.00 31.21 H new ATOM 0 HE2 LYS A 64 0.982 15.202 1.291 1.00 21.22 H new ATOM 0 HE3 LYS A 64 1.386 16.734 0.542 1.00 21.22 H new ATOM 0 HZ1 LYS A 64 -0.560 16.928 1.938 1.00 24.24 H new ATOM 0 HZ2 LYS A 64 -0.977 17.216 0.317 1.00 24.24 H new ATOM 0 HZ3 LYS A 64 -1.368 15.732 1.043 1.00 24.24 H new ATOM 1017 N LYS A 65 0.960 12.115 -5.254 1.00 53.21 N ATOM 1018 CA LYS A 65 0.804 11.759 -6.672 1.00 62.23 C ATOM 1019 C LYS A 65 -0.428 10.875 -6.924 1.00 45.42 C ATOM 1020 O LYS A 65 -1.011 10.984 -7.986 1.00 64.54 O ATOM 1021 CB LYS A 65 2.096 11.109 -7.229 1.00 71.44 C ATOM 1022 CG LYS A 65 3.299 12.081 -7.324 1.00 30.41 C ATOM 1023 CD LYS A 65 2.967 13.390 -8.099 1.00 43.54 C ATOM 1024 CE LYS A 65 2.499 13.154 -9.553 1.00 51.03 C ATOM 1025 NZ LYS A 65 2.078 14.418 -10.219 1.00 41.25 N ATOM 0 H LYS A 65 1.370 11.373 -4.686 1.00 53.21 H new ATOM 0 HA LYS A 65 0.633 12.688 -7.216 1.00 62.23 H new ATOM 0 HB2 LYS A 65 2.371 10.268 -6.593 1.00 71.44 H new ATOM 0 HB3 LYS A 65 1.889 10.705 -8.220 1.00 71.44 H new ATOM 0 HG2 LYS A 65 3.633 12.336 -6.318 1.00 30.41 H new ATOM 0 HG3 LYS A 65 4.129 11.575 -7.816 1.00 30.41 H new ATOM 0 HD2 LYS A 65 2.190 13.932 -7.561 1.00 43.54 H new ATOM 0 HD3 LYS A 65 3.851 14.028 -8.111 1.00 43.54 H new ATOM 0 HE2 LYS A 65 3.307 12.696 -10.123 1.00 51.03 H new ATOM 0 HE3 LYS A 65 1.668 12.449 -9.556 1.00 51.03 H new ATOM 0 HZ1 LYS A 65 2.410 14.418 -11.205 1.00 41.25 H new ATOM 0 HZ2 LYS A 65 1.041 14.490 -10.203 1.00 41.25 H new ATOM 0 HZ3 LYS A 65 2.489 15.230 -9.715 1.00 41.25 H new ATOM 1039 N VAL A 66 -0.828 10.016 -5.968 1.00 61.01 N ATOM 1040 CA VAL A 66 -2.049 9.169 -6.128 1.00 10.54 C ATOM 1041 C VAL A 66 -3.309 10.062 -6.218 1.00 40.34 C ATOM 1042 O VAL A 66 -4.026 10.031 -7.220 1.00 53.32 O ATOM 1043 CB VAL A 66 -2.205 8.129 -4.954 1.00 71.02 C ATOM 1044 CG1 VAL A 66 -3.466 7.239 -5.130 1.00 25.55 C ATOM 1045 CG2 VAL A 66 -0.933 7.269 -4.827 1.00 45.21 C ATOM 0 H VAL A 66 -0.338 9.883 -5.083 1.00 61.01 H new ATOM 0 HA VAL A 66 -1.936 8.604 -7.054 1.00 10.54 H new ATOM 0 HB VAL A 66 -2.339 8.691 -4.030 1.00 71.02 H new ATOM 0 HG11 VAL A 66 -3.535 6.537 -4.299 1.00 25.55 H new ATOM 0 HG12 VAL A 66 -4.356 7.868 -5.148 1.00 25.55 H new ATOM 0 HG13 VAL A 66 -3.394 6.686 -6.067 1.00 25.55 H new ATOM 0 HG21 VAL A 66 -1.056 6.556 -4.012 1.00 45.21 H new ATOM 0 HG22 VAL A 66 -0.764 6.730 -5.759 1.00 45.21 H new ATOM 0 HG23 VAL A 66 -0.078 7.912 -4.620 1.00 45.21 H new ATOM 1055 N TYR A 67 -3.508 10.877 -5.162 1.00 22.03 N ATOM 1056 CA TYR A 67 -4.573 11.902 -5.065 1.00 30.42 C ATOM 1057 C TYR A 67 -4.568 12.844 -6.291 1.00 0.14 C ATOM 1058 O TYR A 67 -5.629 13.216 -6.813 1.00 32.25 O ATOM 1059 CB TYR A 67 -4.352 12.721 -3.761 1.00 64.43 C ATOM 1060 CG TYR A 67 -5.396 13.810 -3.476 1.00 4.13 C ATOM 1061 CD1 TYR A 67 -6.580 13.510 -2.808 1.00 64.35 C ATOM 1062 CD2 TYR A 67 -5.199 15.138 -3.873 1.00 65.22 C ATOM 1063 CE1 TYR A 67 -7.528 14.480 -2.553 1.00 12.55 C ATOM 1064 CE2 TYR A 67 -6.142 16.108 -3.617 1.00 51.31 C ATOM 1065 CZ TYR A 67 -7.305 15.774 -2.959 1.00 71.51 C ATOM 1066 OH TYR A 67 -8.252 16.740 -2.717 1.00 54.23 O ATOM 0 H TYR A 67 -2.918 10.841 -4.330 1.00 22.03 H new ATOM 0 HA TYR A 67 -5.542 11.404 -5.042 1.00 30.42 H new ATOM 0 HB2 TYR A 67 -4.335 12.030 -2.918 1.00 64.43 H new ATOM 0 HB3 TYR A 67 -3.369 13.189 -3.810 1.00 64.43 H new ATOM 0 HD1 TYR A 67 -6.761 12.496 -2.482 1.00 64.35 H new ATOM 0 HD2 TYR A 67 -4.290 15.407 -4.390 1.00 65.22 H new ATOM 0 HE1 TYR A 67 -8.441 14.223 -2.037 1.00 12.55 H new ATOM 0 HE2 TYR A 67 -5.970 17.127 -3.931 1.00 51.31 H new ATOM 0 HH TYR A 67 -7.939 17.600 -3.067 1.00 54.23 H new ATOM 1076 N ASP A 68 -3.339 13.206 -6.715 1.00 23.51 N ATOM 1077 CA ASP A 68 -3.086 14.099 -7.854 1.00 21.23 C ATOM 1078 C ASP A 68 -3.637 13.492 -9.143 1.00 41.25 C ATOM 1079 O ASP A 68 -4.493 14.096 -9.772 1.00 40.55 O ATOM 1080 CB ASP A 68 -1.566 14.356 -8.001 1.00 22.32 C ATOM 1081 CG ASP A 68 -1.199 15.289 -9.166 1.00 3.25 C ATOM 1082 OD1 ASP A 68 -1.225 16.521 -8.978 1.00 64.03 O ATOM 1083 OD2 ASP A 68 -0.852 14.797 -10.261 1.00 21.41 O ATOM 0 H ASP A 68 -2.484 12.878 -6.265 1.00 23.51 H new ATOM 0 HA ASP A 68 -3.593 15.046 -7.669 1.00 21.23 H new ATOM 0 HB2 ASP A 68 -1.189 14.785 -7.073 1.00 22.32 H new ATOM 0 HB3 ASP A 68 -1.058 13.401 -8.140 1.00 22.32 H new ATOM 1088 N LEU A 69 -3.155 12.272 -9.475 1.00 4.35 N ATOM 1089 CA LEU A 69 -3.484 11.558 -10.725 1.00 23.41 C ATOM 1090 C LEU A 69 -4.985 11.312 -10.857 1.00 54.24 C ATOM 1091 O LEU A 69 -5.518 11.349 -11.971 1.00 5.54 O ATOM 1092 CB LEU A 69 -2.737 10.203 -10.806 1.00 42.12 C ATOM 1093 CG LEU A 69 -1.192 10.276 -10.949 1.00 53.24 C ATOM 1094 CD1 LEU A 69 -0.574 8.877 -10.870 1.00 41.20 C ATOM 1095 CD2 LEU A 69 -0.780 11.004 -12.243 1.00 20.54 C ATOM 0 H LEU A 69 -2.518 11.751 -8.872 1.00 4.35 H new ATOM 0 HA LEU A 69 -3.161 12.198 -11.546 1.00 23.41 H new ATOM 0 HB2 LEU A 69 -2.971 9.629 -9.909 1.00 42.12 H new ATOM 0 HB3 LEU A 69 -3.133 9.644 -11.654 1.00 42.12 H new ATOM 0 HG LEU A 69 -0.804 10.861 -10.115 1.00 53.24 H new ATOM 0 HD11 LEU A 69 0.509 8.951 -10.972 1.00 41.20 H new ATOM 0 HD12 LEU A 69 -0.817 8.425 -9.908 1.00 41.20 H new ATOM 0 HD13 LEU A 69 -0.973 8.257 -11.673 1.00 41.20 H new ATOM 0 HD21 LEU A 69 0.307 11.037 -12.311 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -1.182 10.470 -13.104 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -1.174 12.020 -12.230 1.00 20.54 H new ATOM 1107 N LEU A 70 -5.646 11.039 -9.719 1.00 72.52 N ATOM 1108 CA LEU A 70 -7.097 10.836 -9.667 1.00 61.32 C ATOM 1109 C LEU A 70 -7.822 12.036 -10.302 1.00 73.35 C ATOM 1110 O LEU A 70 -8.508 11.879 -11.310 1.00 21.20 O ATOM 1111 CB LEU A 70 -7.553 10.577 -8.206 1.00 35.41 C ATOM 1112 CG LEU A 70 -7.104 9.205 -7.602 1.00 3.02 C ATOM 1113 CD1 LEU A 70 -7.490 9.079 -6.115 1.00 15.54 C ATOM 1114 CD2 LEU A 70 -7.664 8.032 -8.433 1.00 54.22 C ATOM 0 H LEU A 70 -5.187 10.954 -8.812 1.00 72.52 H new ATOM 0 HA LEU A 70 -7.362 9.952 -10.247 1.00 61.32 H new ATOM 0 HB2 LEU A 70 -7.168 11.378 -7.575 1.00 35.41 H new ATOM 0 HB3 LEU A 70 -8.641 10.635 -8.166 1.00 35.41 H new ATOM 0 HG LEU A 70 -6.016 9.163 -7.650 1.00 3.02 H new ATOM 0 HD11 LEU A 70 -7.160 8.112 -5.734 1.00 15.54 H new ATOM 0 HD12 LEU A 70 -7.011 9.876 -5.546 1.00 15.54 H new ATOM 0 HD13 LEU A 70 -8.572 9.160 -6.012 1.00 15.54 H new ATOM 0 HD21 LEU A 70 -7.339 7.088 -7.995 1.00 54.22 H new ATOM 0 HD22 LEU A 70 -8.753 8.075 -8.436 1.00 54.22 H new ATOM 0 HD23 LEU A 70 -7.296 8.103 -9.456 1.00 54.22 H new ATOM 1126 N ILE A 71 -7.549 13.232 -9.772 1.00 3.35 N ATOM 1127 CA ILE A 71 -8.159 14.489 -10.246 1.00 71.20 C ATOM 1128 C ILE A 71 -7.592 14.902 -11.630 1.00 33.12 C ATOM 1129 O ILE A 71 -8.308 15.465 -12.464 1.00 55.54 O ATOM 1130 CB ILE A 71 -7.921 15.637 -9.198 1.00 32.21 C ATOM 1131 CG1 ILE A 71 -8.370 15.164 -7.777 1.00 12.25 C ATOM 1132 CG2 ILE A 71 -8.650 16.941 -9.610 1.00 32.31 C ATOM 1133 CD1 ILE A 71 -8.112 16.158 -6.666 1.00 22.11 C ATOM 0 H ILE A 71 -6.897 13.362 -8.999 1.00 3.35 H new ATOM 0 HA ILE A 71 -9.231 14.323 -10.356 1.00 71.20 H new ATOM 0 HB ILE A 71 -6.855 15.861 -9.170 1.00 32.21 H new ATOM 0 HG12 ILE A 71 -9.436 14.940 -7.804 1.00 12.25 H new ATOM 0 HG13 ILE A 71 -7.855 14.233 -7.540 1.00 12.25 H new ATOM 0 HG21 ILE A 71 -8.464 17.713 -8.864 1.00 32.31 H new ATOM 0 HG22 ILE A 71 -8.278 17.275 -10.578 1.00 32.31 H new ATOM 0 HG23 ILE A 71 -9.721 16.753 -9.678 1.00 32.31 H new ATOM 0 HD11 ILE A 71 -8.456 15.742 -5.719 1.00 22.11 H new ATOM 0 HD12 ILE A 71 -7.044 16.366 -6.604 1.00 22.11 H new ATOM 0 HD13 ILE A 71 -8.650 17.083 -6.873 1.00 22.11 H new ATOM 1145 N LEU A 72 -6.314 14.557 -11.856 1.00 41.23 N ATOM 1146 CA LEU A 72 -5.543 14.948 -13.056 1.00 43.03 C ATOM 1147 C LEU A 72 -6.174 14.318 -14.315 1.00 52.11 C ATOM 1148 O LEU A 72 -6.319 14.986 -15.346 1.00 22.53 O ATOM 1149 CB LEU A 72 -4.050 14.511 -12.860 1.00 73.13 C ATOM 1150 CG LEU A 72 -2.946 15.139 -13.781 1.00 24.50 C ATOM 1151 CD1 LEU A 72 -2.959 14.563 -15.208 1.00 24.11 C ATOM 1152 CD2 LEU A 72 -3.043 16.681 -13.783 1.00 31.31 C ATOM 0 H LEU A 72 -5.775 13.989 -11.202 1.00 41.23 H new ATOM 0 HA LEU A 72 -5.568 16.029 -13.193 1.00 43.03 H new ATOM 0 HB2 LEU A 72 -3.777 14.725 -11.827 1.00 73.13 H new ATOM 0 HB3 LEU A 72 -4.005 13.429 -12.984 1.00 73.13 H new ATOM 0 HG LEU A 72 -1.982 14.861 -13.356 1.00 24.50 H new ATOM 0 HD11 LEU A 72 -2.174 15.035 -15.798 1.00 24.11 H new ATOM 0 HD12 LEU A 72 -2.786 13.488 -15.168 1.00 24.11 H new ATOM 0 HD13 LEU A 72 -3.927 14.757 -15.670 1.00 24.11 H new ATOM 0 HD21 LEU A 72 -2.268 17.094 -14.428 1.00 31.31 H new ATOM 0 HD22 LEU A 72 -4.022 16.983 -14.154 1.00 31.31 H new ATOM 0 HD23 LEU A 72 -2.908 17.055 -12.768 1.00 31.31 H new ATOM 1164 N HIS A 73 -6.538 13.027 -14.213 1.00 44.53 N ATOM 1165 CA HIS A 73 -7.211 12.303 -15.301 1.00 70.31 C ATOM 1166 C HIS A 73 -8.721 12.601 -15.252 1.00 43.11 C ATOM 1167 O HIS A 73 -9.247 13.275 -16.150 1.00 41.02 O ATOM 1168 CB HIS A 73 -6.954 10.777 -15.180 1.00 24.31 C ATOM 1169 CG HIS A 73 -5.522 10.327 -15.380 1.00 10.40 C ATOM 1170 ND1 HIS A 73 -5.163 9.398 -16.334 1.00 61.15 N ATOM 1171 CD2 HIS A 73 -4.382 10.625 -14.711 1.00 70.42 C ATOM 1172 CE1 HIS A 73 -3.874 9.148 -16.234 1.00 34.11 C ATOM 1173 NE2 HIS A 73 -3.382 9.879 -15.261 1.00 22.23 N ATOM 0 H HIS A 73 -6.375 12.462 -13.380 1.00 44.53 H new ATOM 0 HA HIS A 73 -6.809 12.637 -16.257 1.00 70.31 H new ATOM 0 HB2 HIS A 73 -7.282 10.451 -14.193 1.00 24.31 H new ATOM 0 HB3 HIS A 73 -7.580 10.264 -15.910 1.00 24.31 H new ATOM 0 HD2 HIS A 73 -4.284 11.324 -13.894 1.00 70.42 H new ATOM 0 HE1 HIS A 73 -3.316 8.458 -16.849 1.00 34.11 H new ATOM 0 HE2 HIS A 73 -2.406 9.888 -14.964 1.00 22.23 H new ATOM 1182 N ASP A 74 -9.377 12.160 -14.147 1.00 22.34 N ATOM 1183 CA ASP A 74 -10.837 12.310 -13.916 1.00 73.45 C ATOM 1184 C ASP A 74 -11.242 11.485 -12.678 1.00 72.41 C ATOM 1185 O ASP A 74 -11.365 10.262 -12.779 1.00 31.51 O ATOM 1186 CB ASP A 74 -11.685 11.855 -15.148 1.00 72.13 C ATOM 1187 CG ASP A 74 -13.200 12.045 -14.949 1.00 32.13 C ATOM 1188 OD1 ASP A 74 -13.671 13.200 -14.987 1.00 34.14 O ATOM 1189 OD2 ASP A 74 -13.918 11.045 -14.746 1.00 53.35 O ATOM 0 H ASP A 74 -8.900 11.684 -13.382 1.00 22.34 H new ATOM 0 HA ASP A 74 -11.040 13.369 -13.755 1.00 73.45 H new ATOM 0 HB2 ASP A 74 -11.368 12.417 -16.026 1.00 72.13 H new ATOM 0 HB3 ASP A 74 -11.481 10.804 -15.352 1.00 72.13 H new ATOM 1194 N PHE A 75 -11.372 12.164 -11.520 1.00 15.01 N ATOM 1195 CA PHE A 75 -11.861 11.587 -10.243 1.00 62.31 C ATOM 1196 C PHE A 75 -11.791 12.714 -9.197 1.00 50.11 C ATOM 1197 O PHE A 75 -10.742 12.927 -8.576 1.00 43.43 O ATOM 1198 CB PHE A 75 -11.032 10.335 -9.788 1.00 1.43 C ATOM 1199 CG PHE A 75 -11.674 9.457 -8.704 1.00 3.23 C ATOM 1200 CD1 PHE A 75 -12.796 8.679 -8.991 1.00 52.40 C ATOM 1201 CD2 PHE A 75 -11.146 9.386 -7.412 1.00 24.22 C ATOM 1202 CE1 PHE A 75 -13.366 7.866 -8.023 1.00 55.23 C ATOM 1203 CE2 PHE A 75 -11.715 8.569 -6.449 1.00 33.54 C ATOM 1204 CZ PHE A 75 -12.825 7.809 -6.755 1.00 12.14 C ATOM 0 H PHE A 75 -11.135 13.153 -11.441 1.00 15.01 H new ATOM 0 HA PHE A 75 -12.881 11.222 -10.366 1.00 62.31 H new ATOM 0 HB2 PHE A 75 -10.840 9.714 -10.663 1.00 1.43 H new ATOM 0 HB3 PHE A 75 -10.064 10.679 -9.423 1.00 1.43 H new ATOM 0 HD1 PHE A 75 -13.227 8.710 -9.981 1.00 52.40 H new ATOM 0 HD2 PHE A 75 -10.279 9.979 -7.160 1.00 24.22 H new ATOM 0 HE1 PHE A 75 -14.237 7.275 -8.263 1.00 55.23 H new ATOM 0 HE2 PHE A 75 -11.289 8.527 -5.457 1.00 33.54 H new ATOM 0 HZ PHE A 75 -13.269 7.172 -6.005 1.00 12.14 H new ATOM 1214 N THR A 76 -12.907 13.452 -9.072 1.00 4.52 N ATOM 1215 CA THR A 76 -13.004 14.709 -8.301 1.00 44.44 C ATOM 1216 C THR A 76 -12.590 14.505 -6.816 1.00 44.15 C ATOM 1217 O THR A 76 -12.760 13.399 -6.269 1.00 51.43 O ATOM 1218 CB THR A 76 -14.472 15.289 -8.419 1.00 2.50 C ATOM 1219 OG1 THR A 76 -14.539 16.651 -7.963 1.00 23.00 O ATOM 1220 CG2 THR A 76 -15.479 14.460 -7.624 1.00 71.50 C ATOM 0 H THR A 76 -13.788 13.188 -9.513 1.00 4.52 H new ATOM 0 HA THR A 76 -12.305 15.431 -8.722 1.00 44.44 H new ATOM 0 HB THR A 76 -14.729 15.245 -9.477 1.00 2.50 H new ATOM 0 HG1 THR A 76 -15.429 16.828 -7.592 1.00 23.00 H new ATOM 0 HG21 THR A 76 -16.473 14.893 -7.733 1.00 71.50 H new ATOM 0 HG22 THR A 76 -15.486 13.437 -8.000 1.00 71.50 H new ATOM 0 HG23 THR A 76 -15.197 14.457 -6.571 1.00 71.50 H new ATOM 1228 N PRO A 77 -12.030 15.572 -6.139 1.00 71.24 N ATOM 1229 CA PRO A 77 -11.609 15.500 -4.715 1.00 60.14 C ATOM 1230 C PRO A 77 -12.760 15.082 -3.786 1.00 52.40 C ATOM 1231 O PRO A 77 -12.517 14.454 -2.760 1.00 13.31 O ATOM 1232 CB PRO A 77 -11.129 16.947 -4.398 1.00 0.42 C ATOM 1233 CG PRO A 77 -11.739 17.793 -5.476 1.00 71.41 C ATOM 1234 CD PRO A 77 -11.745 16.921 -6.705 1.00 74.04 C ATOM 0 HA PRO A 77 -10.837 14.747 -4.555 1.00 60.14 H new ATOM 0 HB2 PRO A 77 -11.459 17.266 -3.409 1.00 0.42 H new ATOM 0 HB3 PRO A 77 -10.041 17.015 -4.409 1.00 0.42 H new ATOM 0 HG2 PRO A 77 -12.749 18.104 -5.209 1.00 71.41 H new ATOM 0 HG3 PRO A 77 -11.159 18.701 -5.640 1.00 71.41 H new ATOM 0 HD2 PRO A 77 -12.508 17.231 -7.419 1.00 74.04 H new ATOM 0 HD3 PRO A 77 -10.789 16.949 -7.227 1.00 74.04 H new ATOM 1242 N GLU A 78 -14.002 15.421 -4.207 1.00 42.25 N ATOM 1243 CA GLU A 78 -15.247 15.124 -3.468 1.00 4.13 C ATOM 1244 C GLU A 78 -15.401 13.611 -3.235 1.00 74.10 C ATOM 1245 O GLU A 78 -15.777 13.192 -2.142 1.00 74.22 O ATOM 1246 CB GLU A 78 -16.471 15.666 -4.251 1.00 3.34 C ATOM 1247 CG GLU A 78 -16.399 17.170 -4.577 1.00 22.12 C ATOM 1248 CD GLU A 78 -17.534 17.631 -5.500 1.00 40.53 C ATOM 1249 OE1 GLU A 78 -17.396 17.506 -6.732 1.00 62.42 O ATOM 1250 OE2 GLU A 78 -18.574 18.110 -5.003 1.00 54.31 O ATOM 0 H GLU A 78 -14.167 15.916 -5.083 1.00 42.25 H new ATOM 0 HA GLU A 78 -15.194 15.617 -2.497 1.00 4.13 H new ATOM 0 HB2 GLU A 78 -16.568 15.108 -5.183 1.00 3.34 H new ATOM 0 HB3 GLU A 78 -17.373 15.475 -3.670 1.00 3.34 H new ATOM 0 HG2 GLU A 78 -16.436 17.741 -3.649 1.00 22.12 H new ATOM 0 HG3 GLU A 78 -15.441 17.390 -5.048 1.00 22.12 H new ATOM 1257 N GLU A 79 -15.090 12.818 -4.277 1.00 21.33 N ATOM 1258 CA GLU A 79 -15.111 11.343 -4.209 1.00 21.11 C ATOM 1259 C GLU A 79 -14.088 10.830 -3.194 1.00 22.54 C ATOM 1260 O GLU A 79 -14.452 10.150 -2.228 1.00 50.14 O ATOM 1261 CB GLU A 79 -14.819 10.738 -5.609 1.00 63.12 C ATOM 1262 CG GLU A 79 -15.929 10.962 -6.653 1.00 64.34 C ATOM 1263 CD GLU A 79 -17.220 10.201 -6.323 1.00 5.31 C ATOM 1264 OE1 GLU A 79 -17.356 9.039 -6.743 1.00 51.15 O ATOM 1265 OE2 GLU A 79 -18.108 10.756 -5.638 1.00 50.41 O ATOM 0 H GLU A 79 -14.817 13.181 -5.190 1.00 21.33 H new ATOM 0 HA GLU A 79 -16.104 11.031 -3.885 1.00 21.11 H new ATOM 0 HB2 GLU A 79 -13.891 11.166 -5.988 1.00 63.12 H new ATOM 0 HB3 GLU A 79 -14.654 9.666 -5.499 1.00 63.12 H new ATOM 0 HG2 GLU A 79 -16.148 12.028 -6.720 1.00 64.34 H new ATOM 0 HG3 GLU A 79 -15.568 10.648 -7.633 1.00 64.34 H new ATOM 1272 N ILE A 80 -12.828 11.240 -3.416 1.00 41.24 N ATOM 1273 CA ILE A 80 -11.652 10.764 -2.667 1.00 3.42 C ATOM 1274 C ILE A 80 -11.836 10.986 -1.154 1.00 72.32 C ATOM 1275 O ILE A 80 -11.777 10.038 -0.362 1.00 4.35 O ATOM 1276 CB ILE A 80 -10.354 11.518 -3.148 1.00 3.33 C ATOM 1277 CG1 ILE A 80 -10.235 11.508 -4.709 1.00 54.43 C ATOM 1278 CG2 ILE A 80 -9.094 10.911 -2.492 1.00 1.24 C ATOM 1279 CD1 ILE A 80 -9.130 12.392 -5.266 1.00 1.10 C ATOM 0 H ILE A 80 -12.593 11.925 -4.135 1.00 41.24 H new ATOM 0 HA ILE A 80 -11.546 9.696 -2.858 1.00 3.42 H new ATOM 0 HB ILE A 80 -10.435 12.558 -2.831 1.00 3.33 H new ATOM 0 HG12 ILE A 80 -10.065 10.484 -5.041 1.00 54.43 H new ATOM 0 HG13 ILE A 80 -11.186 11.827 -5.135 1.00 54.43 H new ATOM 0 HG21 ILE A 80 -8.210 11.446 -2.838 1.00 1.24 H new ATOM 0 HG22 ILE A 80 -9.170 10.998 -1.408 1.00 1.24 H new ATOM 0 HG23 ILE A 80 -9.012 9.859 -2.766 1.00 1.24 H new ATOM 0 HD11 ILE A 80 -9.122 12.322 -6.354 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -9.307 13.426 -4.970 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -8.168 12.062 -4.874 1.00 1.10 H new ATOM 1291 N LYS A 81 -12.158 12.244 -0.801 1.00 73.04 N ATOM 1292 CA LYS A 81 -12.274 12.696 0.591 1.00 3.22 C ATOM 1293 C LYS A 81 -13.475 12.039 1.295 1.00 43.44 C ATOM 1294 O LYS A 81 -13.421 11.804 2.498 1.00 21.24 O ATOM 1295 CB LYS A 81 -12.369 14.244 0.648 1.00 63.41 C ATOM 1296 CG LYS A 81 -13.704 14.854 0.147 1.00 32.00 C ATOM 1297 CD LYS A 81 -13.632 16.372 -0.174 1.00 70.35 C ATOM 1298 CE LYS A 81 -13.374 17.273 1.052 1.00 53.33 C ATOM 1299 NZ LYS A 81 -11.960 17.251 1.511 1.00 21.14 N ATOM 0 H LYS A 81 -12.346 12.979 -1.483 1.00 73.04 H new ATOM 0 HA LYS A 81 -11.376 12.387 1.126 1.00 3.22 H new ATOM 0 HB2 LYS A 81 -12.209 14.562 1.678 1.00 63.41 H new ATOM 0 HB3 LYS A 81 -11.555 14.662 0.056 1.00 63.41 H new ATOM 0 HG2 LYS A 81 -14.021 14.320 -0.749 1.00 32.00 H new ATOM 0 HG3 LYS A 81 -14.471 14.690 0.904 1.00 32.00 H new ATOM 0 HD2 LYS A 81 -12.841 16.539 -0.905 1.00 70.35 H new ATOM 0 HD3 LYS A 81 -14.568 16.676 -0.642 1.00 70.35 H new ATOM 0 HE2 LYS A 81 -13.653 18.298 0.806 1.00 53.33 H new ATOM 0 HE3 LYS A 81 -14.019 16.954 1.871 1.00 53.33 H new ATOM 0 HZ1 LYS A 81 -11.674 18.208 1.801 1.00 21.14 H new ATOM 0 HZ2 LYS A 81 -11.867 16.602 2.318 1.00 21.14 H new ATOM 0 HZ3 LYS A 81 -11.348 16.928 0.735 1.00 21.14 H new ATOM 1313 N SER A 82 -14.528 11.710 0.517 1.00 75.03 N ATOM 1314 CA SER A 82 -15.785 11.162 1.050 1.00 44.50 C ATOM 1315 C SER A 82 -15.599 9.745 1.621 1.00 34.22 C ATOM 1316 O SER A 82 -16.311 9.351 2.553 1.00 54.43 O ATOM 1317 CB SER A 82 -16.874 11.162 -0.039 1.00 64.01 C ATOM 1318 OG SER A 82 -18.133 10.784 0.487 1.00 65.53 O ATOM 0 H SER A 82 -14.527 11.818 -0.497 1.00 75.03 H new ATOM 0 HA SER A 82 -16.100 11.806 1.871 1.00 44.50 H new ATOM 0 HB2 SER A 82 -16.947 12.155 -0.482 1.00 64.01 H new ATOM 0 HB3 SER A 82 -16.591 10.476 -0.838 1.00 64.01 H new ATOM 0 HG SER A 82 -18.803 10.795 -0.228 1.00 65.53 H new ATOM 1324 N PHE A 83 -14.630 8.984 1.063 1.00 4.40 N ATOM 1325 CA PHE A 83 -14.270 7.659 1.594 1.00 65.11 C ATOM 1326 C PHE A 83 -13.594 7.799 2.976 1.00 32.41 C ATOM 1327 O PHE A 83 -13.753 6.933 3.827 1.00 53.34 O ATOM 1328 CB PHE A 83 -13.347 6.895 0.622 1.00 11.23 C ATOM 1329 CG PHE A 83 -13.978 6.527 -0.723 1.00 35.05 C ATOM 1330 CD1 PHE A 83 -14.871 5.459 -0.824 1.00 4.31 C ATOM 1331 CD2 PHE A 83 -13.660 7.227 -1.887 1.00 34.25 C ATOM 1332 CE1 PHE A 83 -15.424 5.111 -2.044 1.00 30.30 C ATOM 1333 CE2 PHE A 83 -14.211 6.876 -3.107 1.00 51.05 C ATOM 1334 CZ PHE A 83 -15.093 5.819 -3.184 1.00 0.55 C ATOM 0 H PHE A 83 -14.087 9.268 0.247 1.00 4.40 H new ATOM 0 HA PHE A 83 -15.189 7.084 1.706 1.00 65.11 H new ATOM 0 HB2 PHE A 83 -12.461 7.502 0.435 1.00 11.23 H new ATOM 0 HB3 PHE A 83 -13.010 5.980 1.110 1.00 11.23 H new ATOM 0 HD1 PHE A 83 -15.134 4.898 0.060 1.00 4.31 H new ATOM 0 HD2 PHE A 83 -12.972 8.058 -1.835 1.00 34.25 H new ATOM 0 HE1 PHE A 83 -16.116 4.284 -2.105 1.00 30.30 H new ATOM 0 HE2 PHE A 83 -13.951 7.429 -3.997 1.00 51.05 H new ATOM 0 HZ PHE A 83 -15.525 5.544 -4.135 1.00 0.55 H new ATOM 1344 N PHE A 84 -12.873 8.923 3.191 1.00 54.11 N ATOM 1345 CA PHE A 84 -12.232 9.232 4.486 1.00 2.11 C ATOM 1346 C PHE A 84 -13.289 9.695 5.513 1.00 72.32 C ATOM 1347 O PHE A 84 -13.135 9.460 6.716 1.00 25.04 O ATOM 1348 CB PHE A 84 -11.160 10.345 4.329 1.00 11.20 C ATOM 1349 CG PHE A 84 -9.953 9.974 3.472 1.00 20.22 C ATOM 1350 CD1 PHE A 84 -8.890 9.266 4.015 1.00 24.33 C ATOM 1351 CD2 PHE A 84 -9.867 10.356 2.134 1.00 74.21 C ATOM 1352 CE1 PHE A 84 -7.788 8.949 3.252 1.00 63.41 C ATOM 1353 CE2 PHE A 84 -8.761 10.042 1.372 1.00 1.50 C ATOM 1354 CZ PHE A 84 -7.721 9.336 1.935 1.00 34.12 C ATOM 0 H PHE A 84 -12.721 9.635 2.477 1.00 54.11 H new ATOM 0 HA PHE A 84 -11.749 8.321 4.839 1.00 2.11 H new ATOM 0 HB2 PHE A 84 -11.635 11.225 3.896 1.00 11.20 H new ATOM 0 HB3 PHE A 84 -10.807 10.629 5.321 1.00 11.20 H new ATOM 0 HD1 PHE A 84 -8.927 8.959 5.050 1.00 24.33 H new ATOM 0 HD2 PHE A 84 -10.681 10.907 1.686 1.00 74.21 H new ATOM 0 HE1 PHE A 84 -6.972 8.393 3.691 1.00 63.41 H new ATOM 0 HE2 PHE A 84 -8.711 10.349 0.338 1.00 1.50 H new ATOM 0 HZ PHE A 84 -6.854 9.087 1.342 1.00 34.12 H new ATOM 1364 N GLU A 85 -14.349 10.378 5.022 1.00 23.02 N ATOM 1365 CA GLU A 85 -15.452 10.886 5.875 1.00 11.43 C ATOM 1366 C GLU A 85 -16.372 9.747 6.365 1.00 30.32 C ATOM 1367 O GLU A 85 -17.119 9.939 7.333 1.00 2.44 O ATOM 1368 CB GLU A 85 -16.322 11.938 5.118 1.00 32.24 C ATOM 1369 CG GLU A 85 -15.556 13.097 4.449 1.00 31.32 C ATOM 1370 CD GLU A 85 -14.594 13.839 5.387 1.00 4.23 C ATOM 1371 OE1 GLU A 85 -15.037 14.739 6.132 1.00 22.31 O ATOM 1372 OE2 GLU A 85 -13.384 13.533 5.378 1.00 33.24 O ATOM 0 H GLU A 85 -14.465 10.592 4.031 1.00 23.02 H new ATOM 0 HA GLU A 85 -14.977 11.357 6.736 1.00 11.43 H new ATOM 0 HB2 GLU A 85 -16.897 11.419 4.351 1.00 32.24 H new ATOM 0 HB3 GLU A 85 -17.038 12.361 5.822 1.00 32.24 H new ATOM 0 HG2 GLU A 85 -14.991 12.704 3.604 1.00 31.32 H new ATOM 0 HG3 GLU A 85 -16.276 13.810 4.047 1.00 31.32 H new ATOM 1444 N ARG A 90 -16.529 0.686 6.711 1.00 54.05 N ATOM 1445 CA ARG A 90 -15.072 0.834 6.594 1.00 3.13 C ATOM 1446 C ARG A 90 -14.727 1.827 5.461 1.00 5.23 C ATOM 1447 O ARG A 90 -15.298 1.719 4.363 1.00 11.21 O ATOM 1448 CB ARG A 90 -14.417 -0.548 6.303 1.00 74.35 C ATOM 1449 CG ARG A 90 -12.885 -0.509 6.074 1.00 42.34 C ATOM 1450 CD ARG A 90 -12.322 -1.855 5.597 1.00 33.34 C ATOM 1451 NE ARG A 90 -12.497 -2.927 6.597 1.00 62.31 N ATOM 1452 CZ ARG A 90 -12.355 -4.240 6.349 1.00 22.13 C ATOM 1453 NH1 ARG A 90 -12.046 -4.670 5.135 1.00 30.54 N ATOM 1454 NH2 ARG A 90 -12.502 -5.118 7.330 1.00 55.14 N ATOM 0 HA ARG A 90 -14.682 1.222 7.535 1.00 3.13 H new ATOM 0 HB2 ARG A 90 -14.628 -1.217 7.138 1.00 74.35 H new ATOM 0 HB3 ARG A 90 -14.891 -0.980 5.421 1.00 74.35 H new ATOM 0 HG2 ARG A 90 -12.652 0.259 5.337 1.00 42.34 H new ATOM 0 HG3 ARG A 90 -12.390 -0.221 7.002 1.00 42.34 H new ATOM 0 HD2 ARG A 90 -12.816 -2.144 4.669 1.00 33.34 H new ATOM 0 HD3 ARG A 90 -11.262 -1.742 5.372 1.00 33.34 H new ATOM 0 HE ARG A 90 -12.744 -2.650 7.547 1.00 62.31 H new ATOM 0 HH11 ARG A 90 -11.913 -4.002 4.376 1.00 30.54 H new ATOM 0 HH12 ARG A 90 -11.941 -5.669 4.959 1.00 30.54 H new ATOM 0 HH21 ARG A 90 -12.723 -4.797 8.273 1.00 55.14 H new ATOM 0 HH22 ARG A 90 -12.394 -6.115 7.143 1.00 55.14 H new ATOM 1468 N PRO A 91 -13.832 2.833 5.717 1.00 5.24 N ATOM 1469 CA PRO A 91 -13.247 3.661 4.644 1.00 54.31 C ATOM 1470 C PRO A 91 -12.476 2.797 3.618 1.00 63.20 C ATOM 1471 O PRO A 91 -11.652 1.966 4.007 1.00 34.23 O ATOM 1472 CB PRO A 91 -12.286 4.624 5.407 1.00 72.04 C ATOM 1473 CG PRO A 91 -12.813 4.661 6.811 1.00 24.03 C ATOM 1474 CD PRO A 91 -13.356 3.269 7.067 1.00 34.44 C ATOM 0 HA PRO A 91 -14.003 4.189 4.062 1.00 54.31 H new ATOM 0 HB2 PRO A 91 -11.259 4.261 5.380 1.00 72.04 H new ATOM 0 HB3 PRO A 91 -12.285 5.618 4.959 1.00 72.04 H new ATOM 0 HG2 PRO A 91 -12.025 4.913 7.521 1.00 24.03 H new ATOM 0 HG3 PRO A 91 -13.593 5.414 6.919 1.00 24.03 H new ATOM 0 HD2 PRO A 91 -12.587 2.602 7.457 1.00 34.44 H new ATOM 0 HD3 PRO A 91 -14.167 3.281 7.795 1.00 34.44 H new ATOM 1482 N VAL A 92 -12.795 2.956 2.321 1.00 22.10 N ATOM 1483 CA VAL A 92 -12.017 2.328 1.229 1.00 21.34 C ATOM 1484 C VAL A 92 -10.665 3.053 1.117 1.00 43.11 C ATOM 1485 O VAL A 92 -9.617 2.436 0.940 1.00 53.23 O ATOM 1486 CB VAL A 92 -12.783 2.366 -0.151 1.00 14.44 C ATOM 1487 CG1 VAL A 92 -11.966 1.681 -1.285 1.00 61.35 C ATOM 1488 CG2 VAL A 92 -14.189 1.729 -0.015 1.00 21.12 C ATOM 0 H VAL A 92 -13.586 3.514 2.000 1.00 22.10 H new ATOM 0 HA VAL A 92 -11.866 1.275 1.469 1.00 21.34 H new ATOM 0 HB VAL A 92 -12.906 3.413 -0.430 1.00 14.44 H new ATOM 0 HG11 VAL A 92 -12.528 1.728 -2.218 1.00 61.35 H new ATOM 0 HG12 VAL A 92 -11.013 2.196 -1.409 1.00 61.35 H new ATOM 0 HG13 VAL A 92 -11.784 0.639 -1.024 1.00 61.35 H new ATOM 0 HG21 VAL A 92 -14.700 1.766 -0.977 1.00 21.12 H new ATOM 0 HG22 VAL A 92 -14.089 0.691 0.304 1.00 21.12 H new ATOM 0 HG23 VAL A 92 -14.769 2.281 0.725 1.00 21.12 H new ATOM 1498 N PHE A 93 -10.722 4.385 1.234 1.00 40.11 N ATOM 1499 CA PHE A 93 -9.541 5.249 1.315 1.00 3.14 C ATOM 1500 C PHE A 93 -9.297 5.579 2.798 1.00 60.21 C ATOM 1501 O PHE A 93 -10.076 6.319 3.406 1.00 24.54 O ATOM 1502 CB PHE A 93 -9.752 6.550 0.485 1.00 3.41 C ATOM 1503 CG PHE A 93 -9.836 6.375 -1.041 1.00 54.23 C ATOM 1504 CD1 PHE A 93 -10.634 5.390 -1.626 1.00 22.21 C ATOM 1505 CD2 PHE A 93 -9.118 7.209 -1.892 1.00 23.22 C ATOM 1506 CE1 PHE A 93 -10.706 5.246 -2.998 1.00 23.42 C ATOM 1507 CE2 PHE A 93 -9.189 7.067 -3.263 1.00 3.32 C ATOM 1508 CZ PHE A 93 -9.982 6.084 -3.816 1.00 71.44 C ATOM 0 H PHE A 93 -11.602 4.899 1.276 1.00 40.11 H new ATOM 0 HA PHE A 93 -8.673 4.739 0.898 1.00 3.14 H new ATOM 0 HB2 PHE A 93 -10.670 7.029 0.826 1.00 3.41 H new ATOM 0 HB3 PHE A 93 -8.933 7.235 0.707 1.00 3.41 H new ATOM 0 HD1 PHE A 93 -11.206 4.728 -0.993 1.00 22.21 H new ATOM 0 HD2 PHE A 93 -8.493 7.983 -1.472 1.00 23.22 H new ATOM 0 HE1 PHE A 93 -11.330 4.477 -3.429 1.00 23.42 H new ATOM 0 HE2 PHE A 93 -8.623 7.727 -3.904 1.00 3.32 H new ATOM 0 HZ PHE A 93 -10.035 5.972 -4.889 1.00 71.44 H new ATOM 1518 N VAL A 94 -8.236 4.990 3.369 1.00 54.12 N ATOM 1519 CA VAL A 94 -7.870 5.146 4.796 1.00 53.31 C ATOM 1520 C VAL A 94 -6.563 5.956 4.909 1.00 35.13 C ATOM 1521 O VAL A 94 -5.768 5.986 3.965 1.00 33.43 O ATOM 1522 CB VAL A 94 -7.683 3.736 5.491 1.00 22.42 C ATOM 1523 CG1 VAL A 94 -7.418 3.867 7.002 1.00 32.43 C ATOM 1524 CG2 VAL A 94 -8.890 2.814 5.233 1.00 25.20 C ATOM 0 H VAL A 94 -7.598 4.385 2.853 1.00 54.12 H new ATOM 0 HA VAL A 94 -8.677 5.675 5.303 1.00 53.31 H new ATOM 0 HB VAL A 94 -6.802 3.280 5.038 1.00 22.42 H new ATOM 0 HG11 VAL A 94 -7.296 2.875 7.437 1.00 32.43 H new ATOM 0 HG12 VAL A 94 -6.510 4.448 7.163 1.00 32.43 H new ATOM 0 HG13 VAL A 94 -8.260 4.371 7.477 1.00 32.43 H new ATOM 0 HG21 VAL A 94 -8.727 1.855 5.725 1.00 25.20 H new ATOM 0 HG22 VAL A 94 -9.793 3.277 5.631 1.00 25.20 H new ATOM 0 HG23 VAL A 94 -9.005 2.657 4.161 1.00 25.20 H new ATOM 1534 N LYS A 95 -6.366 6.620 6.063 1.00 11.51 N ATOM 1535 CA LYS A 95 -5.139 7.374 6.382 1.00 25.02 C ATOM 1536 C LYS A 95 -4.815 7.273 7.875 1.00 1.04 C ATOM 1537 O LYS A 95 -5.568 6.676 8.643 1.00 34.30 O ATOM 1538 CB LYS A 95 -5.291 8.859 5.988 1.00 34.13 C ATOM 1539 CG LYS A 95 -6.411 9.612 6.740 1.00 61.50 C ATOM 1540 CD LYS A 95 -6.431 11.119 6.414 1.00 52.13 C ATOM 1541 CE LYS A 95 -5.138 11.835 6.852 1.00 14.22 C ATOM 1542 NZ LYS A 95 -5.229 13.304 6.667 1.00 52.33 N ATOM 0 H LYS A 95 -7.062 6.648 6.808 1.00 11.51 H new ATOM 0 HA LYS A 95 -4.321 6.936 5.809 1.00 25.02 H new ATOM 0 HB2 LYS A 95 -4.344 9.368 6.169 1.00 34.13 H new ATOM 0 HB3 LYS A 95 -5.486 8.919 4.917 1.00 34.13 H new ATOM 0 HG2 LYS A 95 -7.375 9.175 6.481 1.00 61.50 H new ATOM 0 HG3 LYS A 95 -6.278 9.477 7.813 1.00 61.50 H new ATOM 0 HD2 LYS A 95 -6.572 11.254 5.342 1.00 52.13 H new ATOM 0 HD3 LYS A 95 -7.285 11.583 6.908 1.00 52.13 H new ATOM 0 HE2 LYS A 95 -4.937 11.613 7.900 1.00 14.22 H new ATOM 0 HE3 LYS A 95 -4.296 11.448 6.277 1.00 14.22 H new ATOM 0 HZ1 LYS A 95 -4.340 13.748 6.973 1.00 52.33 H new ATOM 0 HZ2 LYS A 95 -5.395 13.518 5.663 1.00 52.33 H new ATOM 0 HZ3 LYS A 95 -6.016 13.677 7.235 1.00 52.33 H new ATOM 1556 N GLY A 96 -3.678 7.858 8.267 1.00 71.32 N ATOM 1557 CA GLY A 96 -3.278 7.958 9.670 1.00 44.45 C ATOM 1558 C GLY A 96 -1.837 7.544 9.859 1.00 31.14 C ATOM 1559 O GLY A 96 -1.073 7.544 8.906 1.00 35.43 O ATOM 0 H GLY A 96 -3.011 8.275 7.618 1.00 71.32 H new ATOM 0 HA2 GLY A 96 -3.413 8.982 10.017 1.00 44.45 H new ATOM 0 HA3 GLY A 96 -3.923 7.327 10.281 1.00 44.45 H new ATOM 1563 N SER A 97 -1.459 7.210 11.097 1.00 74.33 N ATOM 1564 CA SER A 97 -0.153 6.587 11.386 1.00 43.34 C ATOM 1565 C SER A 97 -0.180 5.099 10.935 1.00 13.54 C ATOM 1566 O SER A 97 -1.234 4.606 10.515 1.00 25.12 O ATOM 1567 CB SER A 97 0.165 6.735 12.896 1.00 33.25 C ATOM 1568 OG SER A 97 1.509 6.383 13.181 1.00 3.43 O ATOM 0 H SER A 97 -2.039 7.360 11.923 1.00 74.33 H new ATOM 0 HA SER A 97 0.641 7.087 10.830 1.00 43.34 H new ATOM 0 HB2 SER A 97 -0.017 7.763 13.208 1.00 33.25 H new ATOM 0 HB3 SER A 97 -0.508 6.102 13.474 1.00 33.25 H new ATOM 0 HG SER A 97 1.678 6.489 14.140 1.00 3.43 H new ATOM 1574 N LEU A 98 0.969 4.389 11.037 1.00 4.31 N ATOM 1575 CA LEU A 98 1.094 2.992 10.548 1.00 40.22 C ATOM 1576 C LEU A 98 0.059 2.065 11.235 1.00 52.14 C ATOM 1577 O LEU A 98 -0.627 1.280 10.570 1.00 62.05 O ATOM 1578 CB LEU A 98 2.534 2.452 10.776 1.00 24.00 C ATOM 1579 CG LEU A 98 2.807 1.002 10.250 1.00 34.53 C ATOM 1580 CD1 LEU A 98 2.574 0.902 8.727 1.00 62.22 C ATOM 1581 CD2 LEU A 98 4.223 0.515 10.630 1.00 54.43 C ATOM 0 H LEU A 98 1.823 4.760 11.453 1.00 4.31 H new ATOM 0 HA LEU A 98 0.891 2.998 9.477 1.00 40.22 H new ATOM 0 HB2 LEU A 98 3.237 3.132 10.295 1.00 24.00 H new ATOM 0 HB3 LEU A 98 2.747 2.477 11.845 1.00 24.00 H new ATOM 0 HG LEU A 98 2.091 0.342 10.740 1.00 34.53 H new ATOM 0 HD11 LEU A 98 2.772 -0.117 8.395 1.00 62.22 H new ATOM 0 HD12 LEU A 98 1.541 1.163 8.499 1.00 62.22 H new ATOM 0 HD13 LEU A 98 3.244 1.589 8.210 1.00 62.22 H new ATOM 0 HD21 LEU A 98 4.375 -0.494 10.248 1.00 54.43 H new ATOM 0 HD22 LEU A 98 4.966 1.183 10.196 1.00 54.43 H new ATOM 0 HD23 LEU A 98 4.328 0.512 11.715 1.00 54.43 H new ATOM 1593 N GLU A 99 -0.056 2.209 12.569 1.00 52.13 N ATOM 1594 CA GLU A 99 -1.016 1.445 13.391 1.00 73.34 C ATOM 1595 C GLU A 99 -2.447 1.947 13.153 1.00 14.52 C ATOM 1596 O GLU A 99 -3.341 1.150 12.890 1.00 75.15 O ATOM 1597 CB GLU A 99 -0.640 1.546 14.895 1.00 31.04 C ATOM 1598 CG GLU A 99 0.755 0.967 15.220 1.00 31.02 C ATOM 1599 CD GLU A 99 1.192 1.230 16.666 1.00 74.11 C ATOM 1600 OE1 GLU A 99 1.512 2.390 16.985 1.00 24.53 O ATOM 1601 OE2 GLU A 99 1.213 0.292 17.486 1.00 30.24 O ATOM 0 H GLU A 99 0.515 2.859 13.109 1.00 52.13 H new ATOM 0 HA GLU A 99 -0.970 0.397 13.095 1.00 73.34 H new ATOM 0 HB2 GLU A 99 -0.671 2.592 15.200 1.00 31.04 H new ATOM 0 HB3 GLU A 99 -1.390 1.020 15.485 1.00 31.04 H new ATOM 0 HG2 GLU A 99 0.747 -0.108 15.039 1.00 31.02 H new ATOM 0 HG3 GLU A 99 1.489 1.400 14.540 1.00 31.02 H new ATOM 1608 N SER A 100 -2.614 3.286 13.192 1.00 34.14 N ATOM 1609 CA SER A 100 -3.931 3.964 13.106 1.00 13.34 C ATOM 1610 C SER A 100 -4.715 3.542 11.848 1.00 13.31 C ATOM 1611 O SER A 100 -5.880 3.128 11.934 1.00 35.02 O ATOM 1612 CB SER A 100 -3.720 5.495 13.095 1.00 34.41 C ATOM 1613 OG SER A 100 -2.923 5.913 14.187 1.00 62.03 O ATOM 0 H SER A 100 -1.833 3.935 13.285 1.00 34.14 H new ATOM 0 HA SER A 100 -4.517 3.669 13.976 1.00 13.34 H new ATOM 0 HB2 SER A 100 -3.244 5.792 12.160 1.00 34.41 H new ATOM 0 HB3 SER A 100 -4.686 5.998 13.134 1.00 34.41 H new ATOM 0 HG SER A 100 -2.805 6.885 14.153 1.00 62.03 H new ATOM 1619 N ALA A 101 -4.031 3.628 10.695 1.00 22.52 N ATOM 1620 CA ALA A 101 -4.597 3.309 9.379 1.00 32.24 C ATOM 1621 C ALA A 101 -4.969 1.818 9.277 1.00 75.11 C ATOM 1622 O ALA A 101 -5.938 1.459 8.611 1.00 31.23 O ATOM 1623 CB ALA A 101 -3.612 3.717 8.272 1.00 3.35 C ATOM 0 H ALA A 101 -3.056 3.925 10.653 1.00 22.52 H new ATOM 0 HA ALA A 101 -5.518 3.878 9.250 1.00 32.24 H new ATOM 0 HB1 ALA A 101 -4.039 3.477 7.298 1.00 3.35 H new ATOM 0 HB2 ALA A 101 -3.422 4.789 8.331 1.00 3.35 H new ATOM 0 HB3 ALA A 101 -2.675 3.175 8.401 1.00 3.35 H new ATOM 1629 N ALA A 102 -4.189 0.972 9.968 1.00 24.03 N ATOM 1630 CA ALA A 102 -4.422 -0.478 10.031 1.00 65.13 C ATOM 1631 C ALA A 102 -5.703 -0.805 10.820 1.00 74.41 C ATOM 1632 O ALA A 102 -6.455 -1.704 10.446 1.00 53.43 O ATOM 1633 CB ALA A 102 -3.214 -1.158 10.672 1.00 15.44 C ATOM 0 H ALA A 102 -3.375 1.277 10.501 1.00 24.03 H new ATOM 0 HA ALA A 102 -4.556 -0.853 9.016 1.00 65.13 H new ATOM 0 HB1 ALA A 102 -3.385 -2.233 10.720 1.00 15.44 H new ATOM 0 HB2 ALA A 102 -2.324 -0.958 10.075 1.00 15.44 H new ATOM 0 HB3 ALA A 102 -3.069 -0.769 11.680 1.00 15.44 H new ATOM 1639 N GLU A 103 -5.930 -0.048 11.909 1.00 55.21 N ATOM 1640 CA GLU A 103 -7.088 -0.237 12.813 1.00 10.22 C ATOM 1641 C GLU A 103 -8.397 0.196 12.138 1.00 52.35 C ATOM 1642 O GLU A 103 -9.450 -0.411 12.349 1.00 11.04 O ATOM 1643 CB GLU A 103 -6.851 0.550 14.127 1.00 60.13 C ATOM 1644 CG GLU A 103 -5.553 0.144 14.841 1.00 13.22 C ATOM 1645 CD GLU A 103 -5.250 0.959 16.100 1.00 75.42 C ATOM 1646 OE1 GLU A 103 -5.839 0.670 17.163 1.00 62.42 O ATOM 1647 OE2 GLU A 103 -4.428 1.903 16.035 1.00 13.34 O ATOM 0 H GLU A 103 -5.315 0.716 12.191 1.00 55.21 H new ATOM 0 HA GLU A 103 -7.183 -1.297 13.047 1.00 10.22 H new ATOM 0 HB2 GLU A 103 -6.819 1.617 13.905 1.00 60.13 H new ATOM 0 HB3 GLU A 103 -7.695 0.389 14.798 1.00 60.13 H new ATOM 0 HG2 GLU A 103 -5.614 -0.911 15.110 1.00 13.22 H new ATOM 0 HG3 GLU A 103 -4.721 0.248 14.145 1.00 13.22 H new ATOM 1654 N GLN A 104 -8.306 1.251 11.318 1.00 74.14 N ATOM 1655 CA GLN A 104 -9.447 1.784 10.546 1.00 54.21 C ATOM 1656 C GLN A 104 -9.781 0.874 9.345 1.00 3.03 C ATOM 1657 O GLN A 104 -10.957 0.673 9.014 1.00 54.12 O ATOM 1658 CB GLN A 104 -9.125 3.218 10.073 1.00 73.12 C ATOM 1659 CG GLN A 104 -8.905 4.219 11.219 1.00 33.51 C ATOM 1660 CD GLN A 104 -8.425 5.580 10.725 1.00 45.40 C ATOM 1661 OE1 GLN A 104 -9.224 6.448 10.384 1.00 40.44 O ATOM 1662 NE2 GLN A 104 -7.120 5.775 10.691 1.00 5.11 N ATOM 0 H GLN A 104 -7.437 1.764 11.168 1.00 74.14 H new ATOM 0 HA GLN A 104 -10.325 1.809 11.191 1.00 54.21 H new ATOM 0 HB2 GLN A 104 -8.231 3.192 9.450 1.00 73.12 H new ATOM 0 HB3 GLN A 104 -9.941 3.574 9.445 1.00 73.12 H new ATOM 0 HG2 GLN A 104 -9.837 4.345 11.771 1.00 33.51 H new ATOM 0 HG3 GLN A 104 -8.174 3.811 11.917 1.00 33.51 H new ATOM 0 HE21 GLN A 104 -6.485 5.031 10.982 1.00 5.11 H new ATOM 0 HE22 GLN A 104 -6.746 6.669 10.374 1.00 5.11 H new ATOM 1671 N ALA A 105 -8.730 0.325 8.702 1.00 11.21 N ATOM 1672 CA ALA A 105 -8.880 -0.610 7.569 1.00 30.33 C ATOM 1673 C ALA A 105 -9.184 -2.043 8.055 1.00 4.50 C ATOM 1674 O ALA A 105 -9.559 -2.900 7.252 1.00 24.40 O ATOM 1675 CB ALA A 105 -7.622 -0.588 6.688 1.00 20.14 C ATOM 0 H ALA A 105 -7.760 0.516 8.952 1.00 11.21 H new ATOM 0 HA ALA A 105 -9.730 -0.280 6.972 1.00 30.33 H new ATOM 0 HB1 ALA A 105 -7.748 -1.282 5.857 1.00 20.14 H new ATOM 0 HB2 ALA A 105 -7.467 0.419 6.300 1.00 20.14 H new ATOM 0 HB3 ALA A 105 -6.757 -0.885 7.281 1.00 20.14 H new ATOM 1681 N GLY A 106 -8.989 -2.295 9.366 1.00 23.13 N ATOM 1682 CA GLY A 106 -9.338 -3.581 9.992 1.00 1.42 C ATOM 1683 C GLY A 106 -8.358 -4.707 9.676 1.00 11.44 C ATOM 1684 O GLY A 106 -8.725 -5.883 9.729 1.00 51.03 O ATOM 0 H GLY A 106 -8.588 -1.617 10.014 1.00 23.13 H new ATOM 0 HA2 GLY A 106 -9.386 -3.447 11.073 1.00 1.42 H new ATOM 0 HA3 GLY A 106 -10.334 -3.876 9.663 1.00 1.42 H new ATOM 1688 N ILE A 107 -7.114 -4.337 9.335 1.00 31.43 N ATOM 1689 CA ILE A 107 -6.033 -5.292 9.006 1.00 31.55 C ATOM 1690 C ILE A 107 -5.293 -5.680 10.309 1.00 51.55 C ATOM 1691 O ILE A 107 -5.301 -4.896 11.271 1.00 33.10 O ATOM 1692 CB ILE A 107 -5.004 -4.648 7.999 1.00 74.23 C ATOM 1693 CG1 ILE A 107 -5.724 -3.879 6.851 1.00 64.42 C ATOM 1694 CG2 ILE A 107 -4.054 -5.714 7.401 1.00 60.43 C ATOM 1695 CD1 ILE A 107 -4.786 -3.069 5.968 1.00 53.34 C ATOM 0 H ILE A 107 -6.823 -3.361 9.278 1.00 31.43 H new ATOM 0 HA ILE A 107 -6.472 -6.174 8.539 1.00 31.55 H new ATOM 0 HB ILE A 107 -4.412 -3.935 8.572 1.00 74.23 H new ATOM 0 HG12 ILE A 107 -6.264 -4.594 6.231 1.00 64.42 H new ATOM 0 HG13 ILE A 107 -6.467 -3.210 7.285 1.00 64.42 H new ATOM 0 HG21 ILE A 107 -3.358 -5.236 6.712 1.00 60.43 H new ATOM 0 HG22 ILE A 107 -3.496 -6.195 8.204 1.00 60.43 H new ATOM 0 HG23 ILE A 107 -4.638 -6.463 6.866 1.00 60.43 H new ATOM 0 HD11 ILE A 107 -5.362 -2.563 5.193 1.00 53.34 H new ATOM 0 HD12 ILE A 107 -4.265 -2.328 6.574 1.00 53.34 H new ATOM 0 HD13 ILE A 107 -4.059 -3.735 5.503 1.00 53.34 H new ATOM 1707 N VAL A 108 -4.656 -6.875 10.348 1.00 55.51 N ATOM 1708 CA VAL A 108 -3.826 -7.269 11.505 1.00 52.21 C ATOM 1709 C VAL A 108 -2.578 -6.356 11.565 1.00 71.21 C ATOM 1710 O VAL A 108 -1.631 -6.496 10.765 1.00 31.51 O ATOM 1711 CB VAL A 108 -3.398 -8.782 11.482 1.00 15.34 C ATOM 1712 CG1 VAL A 108 -2.590 -9.159 12.750 1.00 44.21 C ATOM 1713 CG2 VAL A 108 -4.621 -9.708 11.315 1.00 60.40 C ATOM 0 H VAL A 108 -4.701 -7.571 9.603 1.00 55.51 H new ATOM 0 HA VAL A 108 -4.436 -7.145 12.400 1.00 52.21 H new ATOM 0 HB VAL A 108 -2.749 -8.924 10.618 1.00 15.34 H new ATOM 0 HG11 VAL A 108 -2.309 -10.211 12.703 1.00 44.21 H new ATOM 0 HG12 VAL A 108 -1.691 -8.546 12.804 1.00 44.21 H new ATOM 0 HG13 VAL A 108 -3.201 -8.986 13.636 1.00 44.21 H new ATOM 0 HG21 VAL A 108 -4.292 -10.747 11.303 1.00 60.40 H new ATOM 0 HG22 VAL A 108 -5.309 -9.555 12.146 1.00 60.40 H new ATOM 0 HG23 VAL A 108 -5.127 -9.477 10.378 1.00 60.40 H new ATOM 1723 N VAL A 109 -2.640 -5.409 12.520 1.00 43.15 N ATOM 1724 CA VAL A 109 -1.661 -4.325 12.690 1.00 64.11 C ATOM 1725 C VAL A 109 -0.247 -4.893 12.870 1.00 74.54 C ATOM 1726 O VAL A 109 0.669 -4.525 12.146 1.00 1.45 O ATOM 1727 CB VAL A 109 -2.019 -3.417 13.933 1.00 75.44 C ATOM 1728 CG1 VAL A 109 -1.069 -2.202 14.041 1.00 41.11 C ATOM 1729 CG2 VAL A 109 -3.501 -2.969 13.899 1.00 1.42 C ATOM 0 H VAL A 109 -3.391 -5.378 13.210 1.00 43.15 H new ATOM 0 HA VAL A 109 -1.694 -3.715 11.787 1.00 64.11 H new ATOM 0 HB VAL A 109 -1.878 -4.023 14.828 1.00 75.44 H new ATOM 0 HG11 VAL A 109 -1.345 -1.600 14.907 1.00 41.11 H new ATOM 0 HG12 VAL A 109 -0.043 -2.551 14.154 1.00 41.11 H new ATOM 0 HG13 VAL A 109 -1.149 -1.597 13.138 1.00 41.11 H new ATOM 0 HG21 VAL A 109 -3.713 -2.346 14.768 1.00 1.42 H new ATOM 0 HG22 VAL A 109 -3.688 -2.398 12.989 1.00 1.42 H new ATOM 0 HG23 VAL A 109 -4.147 -3.847 13.915 1.00 1.42 H new ATOM 1739 N ASP A 110 -0.128 -5.848 13.809 1.00 10.25 N ATOM 1740 CA ASP A 110 1.156 -6.449 14.227 1.00 51.44 C ATOM 1741 C ASP A 110 1.903 -7.089 13.040 1.00 11.51 C ATOM 1742 O ASP A 110 3.127 -6.979 12.943 1.00 52.12 O ATOM 1743 CB ASP A 110 0.909 -7.483 15.366 1.00 60.14 C ATOM 1744 CG ASP A 110 2.210 -8.058 15.968 1.00 42.31 C ATOM 1745 OD1 ASP A 110 2.859 -7.371 16.778 1.00 21.03 O ATOM 1746 OD2 ASP A 110 2.582 -9.198 15.644 1.00 55.03 O ATOM 0 H ASP A 110 -0.931 -6.231 14.307 1.00 10.25 H new ATOM 0 HA ASP A 110 1.798 -5.654 14.607 1.00 51.44 H new ATOM 0 HB2 ASP A 110 0.330 -7.008 16.158 1.00 60.14 H new ATOM 0 HB3 ASP A 110 0.305 -8.303 14.977 1.00 60.14 H new ATOM 1751 N GLU A 111 1.152 -7.709 12.120 1.00 65.42 N ATOM 1752 CA GLU A 111 1.729 -8.375 10.943 1.00 31.34 C ATOM 1753 C GLU A 111 2.210 -7.360 9.887 1.00 52.41 C ATOM 1754 O GLU A 111 3.271 -7.564 9.294 1.00 53.01 O ATOM 1755 CB GLU A 111 0.716 -9.361 10.326 1.00 70.21 C ATOM 1756 CG GLU A 111 0.326 -10.536 11.242 1.00 72.02 C ATOM 1757 CD GLU A 111 1.478 -11.509 11.562 1.00 42.20 C ATOM 1758 OE1 GLU A 111 1.940 -12.213 10.645 1.00 3.45 O ATOM 1759 OE2 GLU A 111 1.912 -11.586 12.723 1.00 33.11 O ATOM 0 H GLU A 111 0.135 -7.763 12.169 1.00 65.42 H new ATOM 0 HA GLU A 111 2.602 -8.934 11.280 1.00 31.34 H new ATOM 0 HB2 GLU A 111 -0.187 -8.813 10.056 1.00 70.21 H new ATOM 0 HB3 GLU A 111 1.134 -9.761 9.402 1.00 70.21 H new ATOM 0 HG2 GLU A 111 -0.065 -10.136 12.178 1.00 72.02 H new ATOM 0 HG3 GLU A 111 -0.483 -11.094 10.771 1.00 72.02 H new ATOM 1766 N LEU A 112 1.434 -6.274 9.632 1.00 55.00 N ATOM 1767 CA LEU A 112 1.865 -5.244 8.646 1.00 54.22 C ATOM 1768 C LEU A 112 2.981 -4.338 9.199 1.00 64.53 C ATOM 1769 O LEU A 112 3.730 -3.747 8.430 1.00 64.31 O ATOM 1770 CB LEU A 112 0.672 -4.429 8.071 1.00 3.42 C ATOM 1771 CG LEU A 112 -0.245 -3.634 9.064 1.00 71.03 C ATOM 1772 CD1 LEU A 112 0.404 -2.335 9.601 1.00 71.20 C ATOM 1773 CD2 LEU A 112 -1.590 -3.321 8.401 1.00 4.22 C ATOM 0 H LEU A 112 0.535 -6.090 10.078 1.00 55.00 H new ATOM 0 HA LEU A 112 2.294 -5.788 7.804 1.00 54.22 H new ATOM 0 HB2 LEU A 112 1.075 -3.717 7.351 1.00 3.42 H new ATOM 0 HB3 LEU A 112 0.037 -5.119 7.516 1.00 3.42 H new ATOM 0 HG LEU A 112 -0.397 -4.279 9.929 1.00 71.03 H new ATOM 0 HD11 LEU A 112 -0.287 -1.837 10.282 1.00 71.20 H new ATOM 0 HD12 LEU A 112 1.323 -2.580 10.133 1.00 71.20 H new ATOM 0 HD13 LEU A 112 0.633 -1.671 8.767 1.00 71.20 H new ATOM 0 HD21 LEU A 112 -2.220 -2.769 9.099 1.00 4.22 H new ATOM 0 HD22 LEU A 112 -1.424 -2.719 7.508 1.00 4.22 H new ATOM 0 HD23 LEU A 112 -2.085 -4.252 8.125 1.00 4.22 H new ATOM 1785 N VAL A 113 3.068 -4.239 10.531 1.00 52.21 N ATOM 1786 CA VAL A 113 4.174 -3.537 11.211 1.00 2.43 C ATOM 1787 C VAL A 113 5.478 -4.315 10.981 1.00 51.35 C ATOM 1788 O VAL A 113 6.525 -3.707 10.749 1.00 11.12 O ATOM 1789 CB VAL A 113 3.905 -3.323 12.755 1.00 0.13 C ATOM 1790 CG1 VAL A 113 5.168 -2.800 13.494 1.00 31.13 C ATOM 1791 CG2 VAL A 113 2.720 -2.348 12.974 1.00 21.13 C ATOM 0 H VAL A 113 2.380 -4.639 11.169 1.00 52.21 H new ATOM 0 HA VAL A 113 4.257 -2.539 10.780 1.00 2.43 H new ATOM 0 HB VAL A 113 3.649 -4.295 13.176 1.00 0.13 H new ATOM 0 HG11 VAL A 113 4.941 -2.666 14.552 1.00 31.13 H new ATOM 0 HG12 VAL A 113 5.978 -3.521 13.385 1.00 31.13 H new ATOM 0 HG13 VAL A 113 5.472 -1.845 13.064 1.00 31.13 H new ATOM 0 HG21 VAL A 113 2.551 -2.214 14.043 1.00 21.13 H new ATOM 0 HG22 VAL A 113 2.953 -1.385 12.520 1.00 21.13 H new ATOM 0 HG23 VAL A 113 1.821 -2.758 12.513 1.00 21.13 H new ATOM 1801 N GLN A 114 5.369 -5.666 10.987 1.00 20.33 N ATOM 1802 CA GLN A 114 6.496 -6.559 10.646 1.00 61.22 C ATOM 1803 C GLN A 114 6.892 -6.309 9.194 1.00 32.23 C ATOM 1804 O GLN A 114 8.033 -6.006 8.905 1.00 32.05 O ATOM 1805 CB GLN A 114 6.125 -8.054 10.834 1.00 70.40 C ATOM 1806 CG GLN A 114 5.902 -8.484 12.292 1.00 0.41 C ATOM 1807 CD GLN A 114 7.178 -8.461 13.137 1.00 13.21 C ATOM 1808 OE1 GLN A 114 7.892 -9.459 13.239 1.00 71.11 O ATOM 1809 NE2 GLN A 114 7.481 -7.321 13.736 1.00 15.22 N ATOM 0 H GLN A 114 4.508 -6.159 11.225 1.00 20.33 H new ATOM 0 HA GLN A 114 7.327 -6.340 11.317 1.00 61.22 H new ATOM 0 HB2 GLN A 114 5.219 -8.263 10.266 1.00 70.40 H new ATOM 0 HB3 GLN A 114 6.918 -8.667 10.406 1.00 70.40 H new ATOM 0 HG2 GLN A 114 5.162 -7.826 12.748 1.00 0.41 H new ATOM 0 HG3 GLN A 114 5.485 -9.491 12.306 1.00 0.41 H new ATOM 0 HE21 GLN A 114 6.869 -6.512 13.632 1.00 15.22 H new ATOM 0 HE22 GLN A 114 8.327 -7.251 14.302 1.00 15.22 H new ATOM 1818 N THR A 115 5.883 -6.381 8.325 1.00 1.11 N ATOM 1819 CA THR A 115 5.999 -6.157 6.885 1.00 72.11 C ATOM 1820 C THR A 115 6.745 -4.846 6.531 1.00 74.41 C ATOM 1821 O THR A 115 7.641 -4.857 5.686 1.00 65.40 O ATOM 1822 CB THR A 115 4.562 -6.165 6.278 1.00 4.24 C ATOM 1823 OG1 THR A 115 4.004 -7.486 6.368 1.00 32.40 O ATOM 1824 CG2 THR A 115 4.506 -5.680 4.837 1.00 44.01 C ATOM 0 H THR A 115 4.931 -6.604 8.615 1.00 1.11 H new ATOM 0 HA THR A 115 6.603 -6.957 6.457 1.00 72.11 H new ATOM 0 HB THR A 115 3.974 -5.459 6.865 1.00 4.24 H new ATOM 0 HG1 THR A 115 3.050 -7.424 6.583 1.00 32.40 H new ATOM 0 HG21 THR A 115 3.476 -5.713 4.482 1.00 44.01 H new ATOM 0 HG22 THR A 115 4.876 -4.656 4.783 1.00 44.01 H new ATOM 0 HG23 THR A 115 5.126 -6.323 4.212 1.00 44.01 H new ATOM 1832 N VAL A 116 6.381 -3.741 7.211 1.00 15.40 N ATOM 1833 CA VAL A 116 6.927 -2.399 6.929 1.00 21.22 C ATOM 1834 C VAL A 116 8.316 -2.200 7.577 1.00 20.42 C ATOM 1835 O VAL A 116 9.166 -1.552 6.976 1.00 3.51 O ATOM 1836 CB VAL A 116 5.908 -1.269 7.363 1.00 23.01 C ATOM 1837 CG1 VAL A 116 6.515 0.160 7.269 1.00 32.53 C ATOM 1838 CG2 VAL A 116 4.615 -1.366 6.504 1.00 62.45 C ATOM 0 H VAL A 116 5.701 -3.754 7.971 1.00 15.40 H new ATOM 0 HA VAL A 116 7.067 -2.318 5.851 1.00 21.22 H new ATOM 0 HB VAL A 116 5.668 -1.437 8.413 1.00 23.01 H new ATOM 0 HG11 VAL A 116 5.770 0.893 7.579 1.00 32.53 H new ATOM 0 HG12 VAL A 116 7.385 0.229 7.921 1.00 32.53 H new ATOM 0 HG13 VAL A 116 6.815 0.361 6.241 1.00 32.53 H new ATOM 0 HG21 VAL A 116 3.917 -0.586 6.807 1.00 62.45 H new ATOM 0 HG22 VAL A 116 4.867 -1.238 5.451 1.00 62.45 H new ATOM 0 HG23 VAL A 116 4.153 -2.342 6.651 1.00 62.45 H new ATOM 1848 N LYS A 117 8.563 -2.772 8.776 1.00 41.43 N ATOM 1849 CA LYS A 117 9.886 -2.625 9.445 1.00 71.14 C ATOM 1850 C LYS A 117 10.942 -3.521 8.765 1.00 21.10 C ATOM 1851 O LYS A 117 12.122 -3.170 8.720 1.00 24.34 O ATOM 1852 CB LYS A 117 9.819 -2.932 10.967 1.00 0.15 C ATOM 1853 CG LYS A 117 9.586 -4.420 11.337 1.00 33.21 C ATOM 1854 CD LYS A 117 9.620 -4.686 12.860 1.00 50.25 C ATOM 1855 CE LYS A 117 10.986 -4.358 13.489 1.00 41.43 C ATOM 1856 NZ LYS A 117 11.032 -4.679 14.941 1.00 54.30 N ATOM 0 H LYS A 117 7.884 -3.329 9.295 1.00 41.43 H new ATOM 0 HA LYS A 117 10.180 -1.581 9.338 1.00 71.14 H new ATOM 0 HB2 LYS A 117 10.750 -2.602 11.428 1.00 0.15 H new ATOM 0 HB3 LYS A 117 9.018 -2.337 11.405 1.00 0.15 H new ATOM 0 HG2 LYS A 117 8.622 -4.738 10.941 1.00 33.21 H new ATOM 0 HG3 LYS A 117 10.347 -5.031 10.852 1.00 33.21 H new ATOM 0 HD2 LYS A 117 8.848 -4.090 13.346 1.00 50.25 H new ATOM 0 HD3 LYS A 117 9.380 -5.733 13.048 1.00 50.25 H new ATOM 0 HE2 LYS A 117 11.765 -4.917 12.971 1.00 41.43 H new ATOM 0 HE3 LYS A 117 11.204 -3.300 13.346 1.00 41.43 H new ATOM 0 HZ1 LYS A 117 11.971 -4.441 15.320 1.00 54.30 H new ATOM 0 HZ2 LYS A 117 10.307 -4.127 15.442 1.00 54.30 H new ATOM 0 HZ3 LYS A 117 10.850 -5.694 15.078 1.00 54.30 H new ATOM 1870 N ASN A 118 10.490 -4.675 8.239 1.00 33.42 N ATOM 1871 CA ASN A 118 11.342 -5.609 7.483 1.00 25.14 C ATOM 1872 C ASN A 118 11.641 -5.004 6.114 1.00 3.13 C ATOM 1873 O ASN A 118 12.768 -5.090 5.643 1.00 54.21 O ATOM 1874 CB ASN A 118 10.678 -7.005 7.321 1.00 41.20 C ATOM 1875 CG ASN A 118 10.477 -7.753 8.650 1.00 54.10 C ATOM 1876 OD1 ASN A 118 11.253 -7.611 9.598 1.00 43.25 O ATOM 1877 ND2 ASN A 118 9.418 -8.545 8.725 1.00 35.51 N ATOM 0 H ASN A 118 9.522 -4.985 8.327 1.00 33.42 H new ATOM 0 HA ASN A 118 12.267 -5.760 8.040 1.00 25.14 H new ATOM 0 HB2 ASN A 118 9.711 -6.883 6.833 1.00 41.20 H new ATOM 0 HB3 ASN A 118 11.293 -7.616 6.660 1.00 41.20 H new ATOM 0 HD21 ASN A 118 9.225 -9.059 9.585 1.00 35.51 H new ATOM 0 HD22 ASN A 118 8.795 -8.641 7.923 1.00 35.51 H new ATOM 1884 N TYR A 119 10.602 -4.373 5.506 1.00 45.40 N ATOM 1885 CA TYR A 119 10.731 -3.623 4.244 1.00 62.13 C ATOM 1886 C TYR A 119 11.805 -2.547 4.401 1.00 1.24 C ATOM 1887 O TYR A 119 12.859 -2.640 3.784 1.00 40.22 O ATOM 1888 CB TYR A 119 9.370 -2.992 3.830 1.00 22.14 C ATOM 1889 CG TYR A 119 9.402 -2.154 2.535 1.00 74.11 C ATOM 1890 CD1 TYR A 119 9.294 -2.763 1.281 1.00 55.20 C ATOM 1891 CD2 TYR A 119 9.534 -0.757 2.569 1.00 33.04 C ATOM 1892 CE1 TYR A 119 9.318 -2.020 0.118 1.00 74.33 C ATOM 1893 CE2 TYR A 119 9.559 -0.011 1.407 1.00 73.23 C ATOM 1894 CZ TYR A 119 9.449 -0.645 0.183 1.00 14.43 C ATOM 1895 OH TYR A 119 9.476 0.096 -0.978 1.00 4.52 O ATOM 0 H TYR A 119 9.654 -4.375 5.883 1.00 45.40 H new ATOM 0 HA TYR A 119 11.028 -4.310 3.451 1.00 62.13 H new ATOM 0 HB2 TYR A 119 8.639 -3.791 3.709 1.00 22.14 H new ATOM 0 HB3 TYR A 119 9.018 -2.359 4.645 1.00 22.14 H new ATOM 0 HD1 TYR A 119 9.190 -3.836 1.221 1.00 55.20 H new ATOM 0 HD2 TYR A 119 9.618 -0.256 3.522 1.00 33.04 H new ATOM 0 HE1 TYR A 119 9.235 -2.511 -0.840 1.00 74.33 H new ATOM 0 HE2 TYR A 119 9.664 1.063 1.454 1.00 73.23 H new ATOM 0 HH TYR A 119 9.942 0.943 -0.815 1.00 4.52 H new ATOM 1905 N GLN A 120 11.544 -1.582 5.301 1.00 20.25 N ATOM 1906 CA GLN A 120 12.433 -0.441 5.553 1.00 40.44 C ATOM 1907 C GLN A 120 13.826 -0.892 6.034 1.00 60.24 C ATOM 1908 O GLN A 120 14.813 -0.197 5.790 1.00 73.31 O ATOM 1909 CB GLN A 120 11.794 0.542 6.578 1.00 64.34 C ATOM 1910 CG GLN A 120 10.484 1.218 6.087 1.00 15.21 C ATOM 1911 CD GLN A 120 9.989 2.352 6.991 1.00 12.42 C ATOM 1912 OE1 GLN A 120 10.194 2.338 8.205 1.00 22.03 O ATOM 1913 NE2 GLN A 120 9.349 3.355 6.400 1.00 62.52 N ATOM 0 H GLN A 120 10.702 -1.575 5.877 1.00 20.25 H new ATOM 0 HA GLN A 120 12.566 0.080 4.605 1.00 40.44 H new ATOM 0 HB2 GLN A 120 11.586 0.001 7.501 1.00 64.34 H new ATOM 0 HB3 GLN A 120 12.520 1.318 6.821 1.00 64.34 H new ATOM 0 HG2 GLN A 120 10.645 1.612 5.083 1.00 15.21 H new ATOM 0 HG3 GLN A 120 9.703 0.461 6.011 1.00 15.21 H new ATOM 0 HE21 GLN A 120 9.194 3.338 5.392 1.00 62.52 H new ATOM 0 HE22 GLN A 120 9.012 4.142 6.954 1.00 62.52 H new ATOM 1922 N GLY A 121 13.878 -2.077 6.675 1.00 72.32 N ATOM 1923 CA GLY A 121 15.119 -2.650 7.180 1.00 20.13 C ATOM 1924 C GLY A 121 15.975 -3.223 6.066 1.00 31.31 C ATOM 1925 O GLY A 121 17.193 -3.026 6.059 1.00 43.23 O ATOM 0 H GLY A 121 13.056 -2.655 6.852 1.00 72.32 H new ATOM 0 HA2 GLY A 121 15.682 -1.883 7.712 1.00 20.13 H new ATOM 0 HA3 GLY A 121 14.889 -3.435 7.901 1.00 20.13 H new ATOM 1929 N TYR A 122 15.333 -3.922 5.102 1.00 24.30 N ATOM 1930 CA TYR A 122 16.055 -4.580 3.998 1.00 71.02 C ATOM 1931 C TYR A 122 16.373 -3.591 2.857 1.00 42.32 C ATOM 1932 O TYR A 122 17.279 -3.836 2.051 1.00 34.44 O ATOM 1933 CB TYR A 122 15.340 -5.901 3.528 1.00 50.12 C ATOM 1934 CG TYR A 122 13.966 -5.875 2.782 1.00 24.12 C ATOM 1935 CD1 TYR A 122 13.675 -4.987 1.740 1.00 60.42 C ATOM 1936 CD2 TYR A 122 12.978 -6.828 3.094 1.00 61.24 C ATOM 1937 CE1 TYR A 122 12.468 -5.034 1.061 1.00 64.14 C ATOM 1938 CE2 TYR A 122 11.780 -6.886 2.408 1.00 23.45 C ATOM 1939 CZ TYR A 122 11.528 -5.990 1.393 1.00 23.21 C ATOM 1940 OH TYR A 122 10.333 -6.054 0.704 1.00 24.12 O ATOM 0 H TYR A 122 14.321 -4.042 5.069 1.00 24.30 H new ATOM 0 HA TYR A 122 17.024 -4.905 4.377 1.00 71.02 H new ATOM 0 HB2 TYR A 122 16.041 -6.425 2.878 1.00 50.12 H new ATOM 0 HB3 TYR A 122 15.205 -6.519 4.416 1.00 50.12 H new ATOM 0 HD1 TYR A 122 14.409 -4.247 1.458 1.00 60.42 H new ATOM 0 HD2 TYR A 122 13.161 -7.533 3.891 1.00 61.24 H new ATOM 0 HE1 TYR A 122 12.263 -4.324 0.273 1.00 64.14 H new ATOM 0 HE2 TYR A 122 11.043 -7.632 2.667 1.00 23.45 H new ATOM 0 HH TYR A 122 9.787 -6.784 1.064 1.00 24.12 H new ATOM 1950 N VAL A 123 15.620 -2.471 2.814 1.00 51.15 N ATOM 1951 CA VAL A 123 15.850 -1.358 1.872 1.00 44.24 C ATOM 1952 C VAL A 123 17.213 -0.695 2.155 1.00 32.15 C ATOM 1953 O VAL A 123 18.088 -0.639 1.278 1.00 3.21 O ATOM 1954 CB VAL A 123 14.681 -0.289 1.961 1.00 23.01 C ATOM 1955 CG1 VAL A 123 15.069 1.036 1.272 1.00 4.31 C ATOM 1956 CG2 VAL A 123 13.362 -0.835 1.357 1.00 2.33 C ATOM 0 H VAL A 123 14.829 -2.314 3.438 1.00 51.15 H new ATOM 0 HA VAL A 123 15.860 -1.761 0.859 1.00 44.24 H new ATOM 0 HB VAL A 123 14.518 -0.090 3.020 1.00 23.01 H new ATOM 0 HG11 VAL A 123 14.244 1.744 1.353 1.00 4.31 H new ATOM 0 HG12 VAL A 123 15.953 1.452 1.755 1.00 4.31 H new ATOM 0 HG13 VAL A 123 15.285 0.849 0.220 1.00 4.31 H new ATOM 0 HG21 VAL A 123 12.584 -0.076 1.436 1.00 2.33 H new ATOM 0 HG22 VAL A 123 13.519 -1.087 0.308 1.00 2.33 H new ATOM 0 HG23 VAL A 123 13.054 -1.727 1.902 1.00 2.33 H new ATOM 1966 N GLN A 124 17.376 -0.222 3.403 1.00 42.33 N ATOM 1967 CA GLN A 124 18.599 0.461 3.859 1.00 14.31 C ATOM 1968 C GLN A 124 19.786 -0.515 3.948 1.00 55.35 C ATOM 1969 O GLN A 124 20.947 -0.097 3.892 1.00 30.34 O ATOM 1970 CB GLN A 124 18.338 1.137 5.228 1.00 34.13 C ATOM 1971 CG GLN A 124 17.907 0.164 6.337 1.00 71.54 C ATOM 1972 CD GLN A 124 17.482 0.834 7.642 1.00 44.11 C ATOM 1973 OE1 GLN A 124 16.959 1.951 7.650 1.00 12.32 O ATOM 1974 NE2 GLN A 124 17.693 0.147 8.752 1.00 41.22 N ATOM 0 H GLN A 124 16.661 -0.303 4.126 1.00 42.33 H new ATOM 0 HA GLN A 124 18.862 1.226 3.128 1.00 14.31 H new ATOM 0 HB2 GLN A 124 19.244 1.653 5.545 1.00 34.13 H new ATOM 0 HB3 GLN A 124 17.565 1.896 5.105 1.00 34.13 H new ATOM 0 HG2 GLN A 124 17.079 -0.442 5.969 1.00 71.54 H new ATOM 0 HG3 GLN A 124 18.732 -0.517 6.546 1.00 71.54 H new ATOM 0 HE21 GLN A 124 18.128 -0.774 8.707 1.00 41.22 H new ATOM 0 HE22 GLN A 124 17.420 0.538 9.654 1.00 41.22 H new ATOM 1983 N ASP A 125 19.477 -1.821 4.095 1.00 0.44 N ATOM 1984 CA ASP A 125 20.499 -2.880 4.156 1.00 64.21 C ATOM 1985 C ASP A 125 21.126 -3.120 2.771 1.00 72.21 C ATOM 1986 O ASP A 125 22.284 -3.547 2.668 1.00 22.04 O ATOM 1987 CB ASP A 125 19.871 -4.200 4.678 1.00 41.20 C ATOM 1988 CG ASP A 125 20.921 -5.270 5.036 1.00 3.25 C ATOM 1989 OD1 ASP A 125 21.567 -5.139 6.092 1.00 42.52 O ATOM 1990 OD2 ASP A 125 21.115 -6.228 4.259 1.00 43.44 O ATOM 0 H ASP A 125 18.520 -2.166 4.174 1.00 0.44 H new ATOM 0 HA ASP A 125 21.282 -2.554 4.841 1.00 64.21 H new ATOM 0 HB2 ASP A 125 19.266 -3.984 5.559 1.00 41.20 H new ATOM 0 HB3 ASP A 125 19.198 -4.600 3.920 1.00 41.20 H new ATOM 1995 N GLY A 126 20.357 -2.795 1.719 1.00 1.31 N ATOM 1996 CA GLY A 126 20.773 -3.023 0.342 1.00 33.11 C ATOM 1997 C GLY A 126 20.668 -4.482 -0.061 1.00 44.14 C ATOM 1998 O GLY A 126 21.582 -5.025 -0.692 1.00 50.41 O ATOM 0 H GLY A 126 19.434 -2.369 1.807 1.00 1.31 H new ATOM 0 HA2 GLY A 126 20.157 -2.420 -0.325 1.00 33.11 H new ATOM 0 HA3 GLY A 126 21.802 -2.688 0.216 1.00 33.11 H new ATOM 2002 N HIS A 127 19.538 -5.112 0.309 1.00 41.45 N ATOM 2003 CA HIS A 127 19.208 -6.491 -0.081 1.00 22.23 C ATOM 2004 C HIS A 127 17.730 -6.765 0.225 1.00 0.53 C ATOM 2005 O HIS A 127 17.349 -6.726 1.384 1.00 75.13 O ATOM 2006 CB HIS A 127 20.112 -7.501 0.688 1.00 12.42 C ATOM 2007 CG HIS A 127 19.833 -8.948 0.359 1.00 44.12 C ATOM 2008 ND1 HIS A 127 20.240 -9.535 -0.819 1.00 15.14 N ATOM 2009 CD2 HIS A 127 19.162 -9.909 1.039 1.00 21.22 C ATOM 2010 CE1 HIS A 127 19.838 -10.787 -0.846 1.00 71.55 C ATOM 2011 NE2 HIS A 127 19.183 -11.037 0.269 1.00 61.30 N ATOM 0 H HIS A 127 18.825 -4.673 0.891 1.00 41.45 H new ATOM 0 HA HIS A 127 19.385 -6.615 -1.149 1.00 22.23 H new ATOM 0 HB2 HIS A 127 21.156 -7.283 0.463 1.00 12.42 H new ATOM 0 HB3 HIS A 127 19.978 -7.350 1.759 1.00 12.42 H new ATOM 0 HD2 HIS A 127 18.698 -9.803 2.008 1.00 21.22 H new ATOM 0 HE1 HIS A 127 20.015 -11.490 -1.646 1.00 71.55 H new ATOM 0 HE2 HIS A 127 18.759 -11.931 0.518 1.00 61.30 H new ATOM 2020 N ASP A 128 16.906 -7.059 -0.800 1.00 41.12 N ATOM 2021 CA ASP A 128 15.484 -7.417 -0.587 1.00 75.11 C ATOM 2022 C ASP A 128 15.353 -8.878 -0.123 1.00 52.50 C ATOM 2023 O ASP A 128 16.227 -9.713 -0.390 1.00 31.32 O ATOM 2024 CB ASP A 128 14.631 -7.175 -1.865 1.00 1.12 C ATOM 2025 CG ASP A 128 15.008 -8.074 -3.055 1.00 75.23 C ATOM 2026 OD1 ASP A 128 15.951 -7.725 -3.799 1.00 75.11 O ATOM 2027 OD2 ASP A 128 14.369 -9.134 -3.250 1.00 45.13 O ATOM 0 H ASP A 128 17.195 -7.057 -1.778 1.00 41.12 H new ATOM 0 HA ASP A 128 15.099 -6.765 0.197 1.00 75.11 H new ATOM 0 HB2 ASP A 128 13.580 -7.334 -1.622 1.00 1.12 H new ATOM 0 HB3 ASP A 128 14.734 -6.132 -2.165 1.00 1.12 H new ATOM 2032 N HIS A 129 14.253 -9.170 0.581 1.00 12.13 N ATOM 2033 CA HIS A 129 13.938 -10.521 1.082 1.00 32.33 C ATOM 2034 C HIS A 129 12.613 -10.997 0.491 1.00 1.14 C ATOM 2035 O HIS A 129 12.554 -12.023 -0.191 1.00 33.35 O ATOM 2036 CB HIS A 129 13.856 -10.535 2.639 1.00 34.42 C ATOM 2037 CG HIS A 129 15.186 -10.530 3.341 1.00 1.25 C ATOM 2038 ND1 HIS A 129 15.714 -11.649 3.954 1.00 64.43 N ATOM 2039 CD2 HIS A 129 16.084 -9.545 3.536 1.00 52.21 C ATOM 2040 CE1 HIS A 129 16.874 -11.343 4.496 1.00 50.34 C ATOM 2041 NE2 HIS A 129 17.121 -10.071 4.256 1.00 1.05 N ATOM 0 H HIS A 129 13.549 -8.473 0.823 1.00 12.13 H new ATOM 0 HA HIS A 129 14.738 -11.195 0.774 1.00 32.33 H new ATOM 0 HB2 HIS A 129 13.285 -9.666 2.966 1.00 34.42 H new ATOM 0 HB3 HIS A 129 13.299 -11.419 2.952 1.00 34.42 H new ATOM 0 HD2 HIS A 129 16.000 -8.526 3.187 1.00 52.21 H new ATOM 0 HE1 HIS A 129 17.514 -12.019 5.044 1.00 50.34 H new ATOM 0 HE2 HIS A 129 17.951 -9.561 4.558 1.00 1.05 H new ATOM 2113 N ASP A 134 14.347 -4.496 -6.503 1.00 13.23 N ATOM 2114 CA ASP A 134 15.836 -4.497 -6.488 1.00 42.02 C ATOM 2115 C ASP A 134 16.377 -3.504 -5.436 1.00 11.44 C ATOM 2116 O ASP A 134 15.808 -2.422 -5.293 1.00 31.04 O ATOM 2117 CB ASP A 134 16.407 -4.108 -7.873 1.00 74.23 C ATOM 2118 CG ASP A 134 15.964 -5.053 -8.992 1.00 25.12 C ATOM 2119 OD1 ASP A 134 16.609 -6.107 -9.193 1.00 72.13 O ATOM 2120 OD2 ASP A 134 14.949 -4.764 -9.655 1.00 73.14 O ATOM 0 HA ASP A 134 16.153 -5.509 -6.235 1.00 42.02 H new ATOM 0 HB2 ASP A 134 16.093 -3.093 -8.117 1.00 74.23 H new ATOM 0 HB3 ASP A 134 17.496 -4.101 -7.821 1.00 74.23 H new ATOM 2125 N PRO A 135 17.480 -3.855 -4.687 1.00 40.14 N ATOM 2126 CA PRO A 135 18.116 -2.959 -3.676 1.00 53.20 C ATOM 2127 C PRO A 135 18.498 -1.570 -4.221 1.00 32.31 C ATOM 2128 O PRO A 135 18.509 -0.580 -3.476 1.00 21.03 O ATOM 2129 CB PRO A 135 19.366 -3.754 -3.210 1.00 45.11 C ATOM 2130 CG PRO A 135 19.549 -4.852 -4.218 1.00 53.14 C ATOM 2131 CD PRO A 135 18.164 -5.176 -4.722 1.00 55.14 C ATOM 0 HA PRO A 135 17.423 -2.727 -2.868 1.00 53.20 H new ATOM 0 HB2 PRO A 135 20.245 -3.111 -3.167 1.00 45.11 H new ATOM 0 HB3 PRO A 135 19.220 -4.161 -2.210 1.00 45.11 H new ATOM 0 HG2 PRO A 135 20.198 -4.531 -5.033 1.00 53.14 H new ATOM 0 HG3 PRO A 135 20.016 -5.727 -3.765 1.00 53.14 H new ATOM 0 HD2 PRO A 135 18.188 -5.592 -5.729 1.00 55.14 H new ATOM 0 HD3 PRO A 135 17.664 -5.907 -4.087 1.00 55.14 H new ATOM 2139 N LYS A 136 18.774 -1.511 -5.528 1.00 40.41 N ATOM 2140 CA LYS A 136 19.159 -0.267 -6.221 1.00 3.34 C ATOM 2141 C LYS A 136 17.938 0.663 -6.438 1.00 41.42 C ATOM 2142 O LYS A 136 18.105 1.863 -6.664 1.00 11.11 O ATOM 2143 CB LYS A 136 19.838 -0.624 -7.572 1.00 33.41 C ATOM 2144 CG LYS A 136 18.874 -1.194 -8.638 1.00 40.40 C ATOM 2145 CD LYS A 136 19.588 -1.794 -9.876 1.00 14.25 C ATOM 2146 CE LYS A 136 20.198 -3.172 -9.589 1.00 74.33 C ATOM 2147 NZ LYS A 136 20.907 -3.738 -10.766 1.00 60.11 N ATOM 0 H LYS A 136 18.738 -2.325 -6.141 1.00 40.41 H new ATOM 0 HA LYS A 136 19.866 0.280 -5.597 1.00 3.34 H new ATOM 0 HB2 LYS A 136 20.316 0.270 -7.972 1.00 33.41 H new ATOM 0 HB3 LYS A 136 20.628 -1.352 -7.387 1.00 33.41 H new ATOM 0 HG2 LYS A 136 18.255 -1.965 -8.179 1.00 40.40 H new ATOM 0 HG3 LYS A 136 18.203 -0.401 -8.967 1.00 40.40 H new ATOM 0 HD2 LYS A 136 18.876 -1.879 -10.697 1.00 14.25 H new ATOM 0 HD3 LYS A 136 20.373 -1.113 -10.204 1.00 14.25 H new ATOM 0 HE2 LYS A 136 20.894 -3.091 -8.754 1.00 74.33 H new ATOM 0 HE3 LYS A 136 19.409 -3.858 -9.280 1.00 74.33 H new ATOM 0 HZ1 LYS A 136 21.300 -4.669 -10.520 1.00 60.11 H new ATOM 0 HZ2 LYS A 136 20.239 -3.843 -11.556 1.00 60.11 H new ATOM 0 HZ3 LYS A 136 21.678 -3.099 -11.047 1.00 60.11 H new ATOM 2161 N TYR A 137 16.717 0.086 -6.398 1.00 20.14 N ATOM 2162 CA TYR A 137 15.449 0.841 -6.550 1.00 62.24 C ATOM 2163 C TYR A 137 14.623 0.820 -5.244 1.00 75.22 C ATOM 2164 O TYR A 137 13.584 1.485 -5.171 1.00 52.14 O ATOM 2165 CB TYR A 137 14.596 0.250 -7.709 1.00 41.21 C ATOM 2166 CG TYR A 137 15.303 0.178 -9.072 1.00 65.54 C ATOM 2167 CD1 TYR A 137 15.820 1.330 -9.677 1.00 72.33 C ATOM 2168 CD2 TYR A 137 15.457 -1.038 -9.747 1.00 72.01 C ATOM 2169 CE1 TYR A 137 16.460 1.263 -10.898 1.00 2.21 C ATOM 2170 CE2 TYR A 137 16.093 -1.105 -10.966 1.00 70.20 C ATOM 2171 CZ TYR A 137 16.593 0.047 -11.538 1.00 11.43 C ATOM 2172 OH TYR A 137 17.229 -0.014 -12.756 1.00 64.12 O ATOM 0 H TYR A 137 16.580 -0.915 -6.260 1.00 20.14 H new ATOM 0 HA TYR A 137 15.710 1.874 -6.782 1.00 62.24 H new ATOM 0 HB2 TYR A 137 14.278 -0.754 -7.429 1.00 41.21 H new ATOM 0 HB3 TYR A 137 13.693 0.851 -7.817 1.00 41.21 H new ATOM 0 HD1 TYR A 137 15.717 2.284 -9.181 1.00 72.33 H new ATOM 0 HD2 TYR A 137 15.069 -1.943 -9.302 1.00 72.01 H new ATOM 0 HE1 TYR A 137 16.856 2.160 -11.352 1.00 2.21 H new ATOM 0 HE2 TYR A 137 16.200 -2.053 -11.472 1.00 70.20 H new ATOM 0 HH TYR A 137 17.241 -0.941 -13.073 1.00 64.12 H new ATOM 2182 N LEU A 138 15.072 0.046 -4.229 1.00 33.24 N ATOM 2183 CA LEU A 138 14.398 -0.030 -2.910 1.00 50.02 C ATOM 2184 C LEU A 138 14.423 1.340 -2.218 1.00 74.35 C ATOM 2185 O LEU A 138 15.488 1.954 -2.096 1.00 24.03 O ATOM 2186 CB LEU A 138 15.075 -1.099 -1.991 1.00 55.45 C ATOM 2187 CG LEU A 138 14.643 -2.586 -2.180 1.00 61.44 C ATOM 2188 CD1 LEU A 138 15.434 -3.517 -1.230 1.00 20.43 C ATOM 2189 CD2 LEU A 138 13.121 -2.759 -1.982 1.00 4.43 C ATOM 0 H LEU A 138 15.905 -0.539 -4.299 1.00 33.24 H new ATOM 0 HA LEU A 138 13.363 -0.328 -3.081 1.00 50.02 H new ATOM 0 HB2 LEU A 138 16.153 -1.040 -2.143 1.00 55.45 H new ATOM 0 HB3 LEU A 138 14.883 -0.822 -0.954 1.00 55.45 H new ATOM 0 HG LEU A 138 14.877 -2.871 -3.206 1.00 61.44 H new ATOM 0 HD11 LEU A 138 15.114 -4.548 -1.381 1.00 20.43 H new ATOM 0 HD12 LEU A 138 16.500 -3.433 -1.442 1.00 20.43 H new ATOM 0 HD13 LEU A 138 15.246 -3.227 -0.196 1.00 20.43 H new ATOM 0 HD21 LEU A 138 12.853 -3.806 -2.121 1.00 4.43 H new ATOM 0 HD22 LEU A 138 12.847 -2.444 -0.975 1.00 4.43 H new ATOM 0 HD23 LEU A 138 12.588 -2.148 -2.711 1.00 4.43 H new ATOM 2201 N HIS A 139 13.255 1.794 -1.744 1.00 42.13 N ATOM 2202 CA HIS A 139 13.097 3.100 -1.086 1.00 24.13 C ATOM 2203 C HIS A 139 12.033 3.007 0.016 1.00 43.11 C ATOM 2204 O HIS A 139 10.946 2.481 -0.228 1.00 70.05 O ATOM 2205 CB HIS A 139 12.704 4.165 -2.135 1.00 63.24 C ATOM 2206 CG HIS A 139 12.506 5.544 -1.567 1.00 11.51 C ATOM 2207 ND1 HIS A 139 11.278 6.163 -1.490 1.00 1.34 N ATOM 2208 CD2 HIS A 139 13.398 6.416 -1.043 1.00 21.22 C ATOM 2209 CE1 HIS A 139 11.423 7.351 -0.949 1.00 21.34 C ATOM 2210 NE2 HIS A 139 12.699 7.527 -0.667 1.00 65.10 N ATOM 0 H HIS A 139 12.387 1.262 -1.806 1.00 42.13 H new ATOM 0 HA HIS A 139 14.042 3.392 -0.627 1.00 24.13 H new ATOM 0 HB2 HIS A 139 13.478 4.207 -2.901 1.00 63.24 H new ATOM 0 HB3 HIS A 139 11.784 3.851 -2.628 1.00 63.24 H new ATOM 0 HD2 HIS A 139 14.462 6.262 -0.941 1.00 21.22 H new ATOM 0 HE1 HIS A 139 10.632 8.063 -0.766 1.00 21.34 H new ATOM 0 HE2 HIS A 139 13.100 8.360 -0.237 1.00 65.10 H new ATOM 2219 N GLN A 140 12.349 3.525 1.227 1.00 43.12 N ATOM 2220 CA GLN A 140 11.400 3.530 2.358 1.00 34.13 C ATOM 2221 C GLN A 140 10.273 4.545 2.136 1.00 74.23 C ATOM 2222 O GLN A 140 10.418 5.505 1.371 1.00 71.12 O ATOM 2223 CB GLN A 140 12.085 3.854 3.722 1.00 73.43 C ATOM 2224 CG GLN A 140 13.202 2.876 4.164 1.00 25.10 C ATOM 2225 CD GLN A 140 14.622 3.338 3.859 1.00 32.44 C ATOM 2226 OE1 GLN A 140 14.862 4.083 2.909 1.00 12.13 O ATOM 2227 NE2 GLN A 140 15.577 2.861 4.652 1.00 61.34 N ATOM 0 H GLN A 140 13.254 3.944 1.442 1.00 43.12 H new ATOM 0 HA GLN A 140 10.996 2.519 2.401 1.00 34.13 H new ATOM 0 HB2 GLN A 140 12.508 4.857 3.666 1.00 73.43 H new ATOM 0 HB3 GLN A 140 11.318 3.874 4.496 1.00 73.43 H new ATOM 0 HG2 GLN A 140 13.113 2.709 5.237 1.00 25.10 H new ATOM 0 HG3 GLN A 140 13.036 1.915 3.677 1.00 25.10 H new ATOM 0 HE21 GLN A 140 15.335 2.246 5.429 1.00 61.34 H new ATOM 0 HE22 GLN A 140 16.552 3.110 4.483 1.00 61.34 H new ATOM 2236 N PHE A 141 9.168 4.312 2.846 1.00 3.12 N ATOM 2237 CA PHE A 141 8.045 5.242 2.919 1.00 74.04 C ATOM 2238 C PHE A 141 8.454 6.473 3.747 1.00 42.23 C ATOM 2239 O PHE A 141 8.601 6.373 4.972 1.00 22.51 O ATOM 2240 CB PHE A 141 6.828 4.540 3.570 1.00 10.51 C ATOM 2241 CG PHE A 141 6.397 3.259 2.871 1.00 24.42 C ATOM 2242 CD1 PHE A 141 5.811 3.304 1.609 1.00 62.31 C ATOM 2243 CD2 PHE A 141 6.571 2.011 3.479 1.00 71.30 C ATOM 2244 CE1 PHE A 141 5.414 2.149 0.978 1.00 45.20 C ATOM 2245 CE2 PHE A 141 6.171 0.858 2.844 1.00 22.04 C ATOM 2246 CZ PHE A 141 5.593 0.925 1.592 1.00 51.12 C ATOM 0 H PHE A 141 9.028 3.462 3.392 1.00 3.12 H new ATOM 0 HA PHE A 141 7.770 5.563 1.914 1.00 74.04 H new ATOM 0 HB2 PHE A 141 7.068 4.311 4.608 1.00 10.51 H new ATOM 0 HB3 PHE A 141 5.987 5.234 3.583 1.00 10.51 H new ATOM 0 HD1 PHE A 141 5.667 4.256 1.121 1.00 62.31 H new ATOM 0 HD2 PHE A 141 7.024 1.952 4.458 1.00 71.30 H new ATOM 0 HE1 PHE A 141 4.961 2.199 -0.001 1.00 45.20 H new ATOM 0 HE2 PHE A 141 6.309 -0.099 3.325 1.00 22.04 H new ATOM 0 HZ PHE A 141 5.281 0.020 1.093 1.00 51.12 H new ATOM 2256 N GLU A 142 8.699 7.617 3.075 1.00 75.42 N ATOM 2257 CA GLU A 142 9.086 8.868 3.753 1.00 3.02 C ATOM 2258 C GLU A 142 7.834 9.740 3.969 1.00 35.54 C ATOM 2259 O GLU A 142 7.410 10.477 3.077 1.00 53.14 O ATOM 2260 CB GLU A 142 10.181 9.621 2.946 1.00 0.43 C ATOM 2261 CG GLU A 142 11.482 8.807 2.735 1.00 23.03 C ATOM 2262 CD GLU A 142 12.649 9.641 2.165 1.00 52.34 C ATOM 2263 OE1 GLU A 142 12.656 9.920 0.952 1.00 11.24 O ATOM 2264 OE2 GLU A 142 13.558 10.024 2.929 1.00 74.43 O ATOM 0 H GLU A 142 8.635 7.698 2.060 1.00 75.42 H new ATOM 0 HA GLU A 142 9.516 8.634 4.727 1.00 3.02 H new ATOM 0 HB2 GLU A 142 9.775 9.896 1.972 1.00 0.43 H new ATOM 0 HB3 GLU A 142 10.425 10.549 3.463 1.00 0.43 H new ATOM 0 HG2 GLU A 142 11.788 8.374 3.687 1.00 23.03 H new ATOM 0 HG3 GLU A 142 11.276 7.977 2.059 1.00 23.03 H new ATOM 2271 N GLY A 143 7.251 9.623 5.169 1.00 22.32 N ATOM 2272 CA GLY A 143 6.014 10.308 5.529 1.00 12.22 C ATOM 2273 C GLY A 143 5.320 9.593 6.680 1.00 30.33 C ATOM 2274 O GLY A 143 4.944 8.420 6.537 1.00 25.32 O ATOM 0 H GLY A 143 7.631 9.045 5.919 1.00 22.32 H new ATOM 0 HA2 GLY A 143 6.232 11.338 5.812 1.00 12.22 H new ATOM 0 HA3 GLY A 143 5.350 10.348 4.666 1.00 12.22 H new ATOM 2278 N GLU A 144 5.174 10.292 7.829 1.00 74.02 N ATOM 2279 CA GLU A 144 4.570 9.724 9.061 1.00 33.03 C ATOM 2280 C GLU A 144 3.097 9.320 8.840 1.00 1.53 C ATOM 2281 O GLU A 144 2.615 8.347 9.439 1.00 21.53 O ATOM 2282 CB GLU A 144 4.676 10.724 10.245 1.00 1.05 C ATOM 2283 CG GLU A 144 6.116 11.041 10.699 1.00 4.10 C ATOM 2284 CD GLU A 144 6.159 11.919 11.964 1.00 4.11 C ATOM 2285 OE1 GLU A 144 6.118 13.158 11.845 1.00 65.21 O ATOM 2286 OE2 GLU A 144 6.211 11.373 13.084 1.00 64.15 O ATOM 0 H GLU A 144 5.470 11.263 7.930 1.00 74.02 H new ATOM 0 HA GLU A 144 5.134 8.825 9.309 1.00 33.03 H new ATOM 0 HB2 GLU A 144 4.187 11.655 9.960 1.00 1.05 H new ATOM 0 HB3 GLU A 144 4.123 10.320 11.093 1.00 1.05 H new ATOM 0 HG2 GLU A 144 6.646 10.108 10.891 1.00 4.10 H new ATOM 0 HG3 GLU A 144 6.644 11.548 9.891 1.00 4.10 H new ATOM 2293 N THR A 145 2.392 10.092 7.999 1.00 41.25 N ATOM 2294 CA THR A 145 1.027 9.772 7.582 1.00 43.04 C ATOM 2295 C THR A 145 1.061 8.725 6.447 1.00 61.32 C ATOM 2296 O THR A 145 1.488 9.020 5.327 1.00 23.24 O ATOM 2297 CB THR A 145 0.242 11.047 7.121 1.00 62.41 C ATOM 2298 OG1 THR A 145 0.210 12.005 8.190 1.00 3.41 O ATOM 2299 CG2 THR A 145 -1.204 10.719 6.696 1.00 72.13 C ATOM 0 H THR A 145 2.756 10.954 7.592 1.00 41.25 H new ATOM 0 HA THR A 145 0.501 9.361 8.444 1.00 43.04 H new ATOM 0 HB THR A 145 0.763 11.455 6.255 1.00 62.41 H new ATOM 0 HG1 THR A 145 -0.280 12.803 7.900 1.00 3.41 H new ATOM 0 HG21 THR A 145 -1.708 11.634 6.385 1.00 72.13 H new ATOM 0 HG22 THR A 145 -1.188 10.013 5.866 1.00 72.13 H new ATOM 0 HG23 THR A 145 -1.739 10.278 7.537 1.00 72.13 H new ATOM 2307 N PHE A 146 0.648 7.500 6.778 1.00 71.11 N ATOM 2308 CA PHE A 146 0.410 6.426 5.809 1.00 5.21 C ATOM 2309 C PHE A 146 -1.040 6.498 5.311 1.00 53.04 C ATOM 2310 O PHE A 146 -1.923 7.043 5.984 1.00 2.01 O ATOM 2311 CB PHE A 146 0.665 5.035 6.461 1.00 35.15 C ATOM 2312 CG PHE A 146 2.134 4.648 6.582 1.00 35.44 C ATOM 2313 CD1 PHE A 146 2.915 5.076 7.658 1.00 13.24 C ATOM 2314 CD2 PHE A 146 2.731 3.841 5.613 1.00 70.54 C ATOM 2315 CE1 PHE A 146 4.245 4.703 7.754 1.00 61.23 C ATOM 2316 CE2 PHE A 146 4.049 3.472 5.712 1.00 22.31 C ATOM 2317 CZ PHE A 146 4.810 3.901 6.780 1.00 52.54 C ATOM 0 H PHE A 146 0.466 7.221 7.742 1.00 71.11 H new ATOM 0 HA PHE A 146 1.096 6.552 4.971 1.00 5.21 H new ATOM 0 HB2 PHE A 146 0.218 5.028 7.455 1.00 35.15 H new ATOM 0 HB3 PHE A 146 0.150 4.274 5.875 1.00 35.15 H new ATOM 0 HD1 PHE A 146 2.478 5.703 8.421 1.00 13.24 H new ATOM 0 HD2 PHE A 146 2.146 3.501 4.771 1.00 70.54 H new ATOM 0 HE1 PHE A 146 4.841 5.039 8.590 1.00 61.23 H new ATOM 0 HE2 PHE A 146 4.492 2.845 4.952 1.00 22.31 H new ATOM 0 HZ PHE A 146 5.847 3.610 6.855 1.00 52.54 H new ATOM 2327 N TYR A 147 -1.254 5.958 4.112 1.00 73.55 N ATOM 2328 CA TYR A 147 -2.569 5.797 3.493 1.00 72.00 C ATOM 2329 C TYR A 147 -2.715 4.331 3.073 1.00 32.14 C ATOM 2330 O TYR A 147 -1.782 3.747 2.516 1.00 50.11 O ATOM 2331 CB TYR A 147 -2.724 6.738 2.265 1.00 64.43 C ATOM 2332 CG TYR A 147 -2.861 8.233 2.612 1.00 4.32 C ATOM 2333 CD1 TYR A 147 -1.745 9.019 2.940 1.00 14.31 C ATOM 2334 CD2 TYR A 147 -4.108 8.858 2.605 1.00 71.24 C ATOM 2335 CE1 TYR A 147 -1.881 10.358 3.248 1.00 62.22 C ATOM 2336 CE2 TYR A 147 -4.241 10.199 2.915 1.00 31.25 C ATOM 2337 CZ TYR A 147 -3.130 10.940 3.234 1.00 4.34 C ATOM 2338 OH TYR A 147 -3.265 12.274 3.544 1.00 32.33 O ATOM 0 H TYR A 147 -0.494 5.610 3.527 1.00 73.55 H new ATOM 0 HA TYR A 147 -3.351 6.065 4.204 1.00 72.00 H new ATOM 0 HB2 TYR A 147 -1.860 6.608 1.614 1.00 64.43 H new ATOM 0 HB3 TYR A 147 -3.601 6.429 1.696 1.00 64.43 H new ATOM 0 HD1 TYR A 147 -0.763 8.569 2.952 1.00 14.31 H new ATOM 0 HD2 TYR A 147 -4.987 8.283 2.353 1.00 71.24 H new ATOM 0 HE1 TYR A 147 -1.011 10.947 3.499 1.00 62.22 H new ATOM 0 HE2 TYR A 147 -5.216 10.662 2.906 1.00 31.25 H new ATOM 0 HH TYR A 147 -4.209 12.529 3.487 1.00 32.33 H new ATOM 2348 N ILE A 148 -3.875 3.730 3.375 1.00 45.43 N ATOM 2349 CA ILE A 148 -4.179 2.336 3.025 1.00 50.23 C ATOM 2350 C ILE A 148 -5.470 2.307 2.201 1.00 1.10 C ATOM 2351 O ILE A 148 -6.549 2.624 2.707 1.00 21.05 O ATOM 2352 CB ILE A 148 -4.325 1.426 4.308 1.00 43.11 C ATOM 2353 CG1 ILE A 148 -2.991 1.401 5.127 1.00 23.44 C ATOM 2354 CG2 ILE A 148 -4.767 -0.005 3.919 1.00 42.12 C ATOM 2355 CD1 ILE A 148 -2.996 0.494 6.353 1.00 31.44 C ATOM 0 H ILE A 148 -4.632 4.200 3.871 1.00 45.43 H new ATOM 0 HA ILE A 148 -3.351 1.933 2.442 1.00 50.23 H new ATOM 0 HB ILE A 148 -5.100 1.855 4.944 1.00 43.11 H new ATOM 0 HG12 ILE A 148 -2.184 1.086 4.466 1.00 23.44 H new ATOM 0 HG13 ILE A 148 -2.762 2.417 5.448 1.00 23.44 H new ATOM 0 HG21 ILE A 148 -4.861 -0.614 4.818 1.00 42.12 H new ATOM 0 HG22 ILE A 148 -5.729 0.038 3.407 1.00 42.12 H new ATOM 0 HG23 ILE A 148 -4.023 -0.448 3.257 1.00 42.12 H new ATOM 0 HD11 ILE A 148 -2.027 0.548 6.850 1.00 31.44 H new ATOM 0 HD12 ILE A 148 -3.776 0.818 7.042 1.00 31.44 H new ATOM 0 HD13 ILE A 148 -3.189 -0.534 6.045 1.00 31.44 H new ATOM 2367 N ILE A 149 -5.347 1.950 0.917 1.00 60.14 N ATOM 2368 CA ILE A 149 -6.493 1.842 0.005 1.00 11.25 C ATOM 2369 C ILE A 149 -6.874 0.363 -0.145 1.00 71.34 C ATOM 2370 O ILE A 149 -6.033 -0.449 -0.554 1.00 22.31 O ATOM 2371 CB ILE A 149 -6.191 2.459 -1.417 1.00 21.41 C ATOM 2372 CG1 ILE A 149 -5.517 3.870 -1.304 1.00 24.15 C ATOM 2373 CG2 ILE A 149 -7.485 2.533 -2.271 1.00 71.44 C ATOM 2374 CD1 ILE A 149 -6.310 4.909 -0.529 1.00 5.52 C ATOM 0 H ILE A 149 -4.452 1.728 0.481 1.00 60.14 H new ATOM 0 HA ILE A 149 -7.317 2.411 0.435 1.00 11.25 H new ATOM 0 HB ILE A 149 -5.484 1.798 -1.918 1.00 21.41 H new ATOM 0 HG12 ILE A 149 -4.543 3.752 -0.829 1.00 24.15 H new ATOM 0 HG13 ILE A 149 -5.337 4.250 -2.310 1.00 24.15 H new ATOM 0 HG21 ILE A 149 -7.253 2.961 -3.246 1.00 71.44 H new ATOM 0 HG22 ILE A 149 -7.892 1.530 -2.402 1.00 71.44 H new ATOM 0 HG23 ILE A 149 -8.220 3.159 -1.765 1.00 71.44 H new ATOM 0 HD11 ILE A 149 -5.757 5.848 -0.509 1.00 5.52 H new ATOM 0 HD12 ILE A 149 -7.274 5.065 -1.012 1.00 5.52 H new ATOM 0 HD13 ILE A 149 -6.468 4.560 0.491 1.00 5.52 H new ATOM 2386 N GLU A 150 -8.128 0.025 0.208 1.00 33.21 N ATOM 2387 CA GLU A 150 -8.688 -1.316 0.002 1.00 12.24 C ATOM 2388 C GLU A 150 -8.763 -1.603 -1.505 1.00 0.41 C ATOM 2389 O GLU A 150 -9.157 -0.728 -2.278 1.00 1.45 O ATOM 2390 CB GLU A 150 -10.094 -1.440 0.659 1.00 23.41 C ATOM 2391 CG GLU A 150 -10.732 -2.840 0.514 1.00 11.14 C ATOM 2392 CD GLU A 150 -12.015 -3.037 1.335 1.00 51.33 C ATOM 2393 OE1 GLU A 150 -11.915 -3.413 2.526 1.00 33.50 O ATOM 2394 OE2 GLU A 150 -13.126 -2.856 0.788 1.00 2.13 O ATOM 0 H GLU A 150 -8.779 0.678 0.644 1.00 33.21 H new ATOM 0 HA GLU A 150 -8.040 -2.052 0.478 1.00 12.24 H new ATOM 0 HB2 GLU A 150 -10.012 -1.197 1.718 1.00 23.41 H new ATOM 0 HB3 GLU A 150 -10.759 -0.701 0.213 1.00 23.41 H new ATOM 0 HG2 GLU A 150 -10.957 -3.017 -0.538 1.00 11.14 H new ATOM 0 HG3 GLU A 150 -10.003 -3.592 0.815 1.00 11.14 H new ATOM 2401 N GLN A 151 -8.345 -2.817 -1.903 1.00 31.14 N ATOM 2402 CA GLN A 151 -8.209 -3.241 -3.315 1.00 44.04 C ATOM 2403 C GLN A 151 -8.842 -4.633 -3.489 1.00 54.42 C ATOM 2404 O GLN A 151 -8.243 -5.640 -3.138 1.00 45.14 O ATOM 2405 CB GLN A 151 -6.700 -3.271 -3.712 1.00 61.45 C ATOM 2406 CG GLN A 151 -5.995 -1.897 -3.665 1.00 74.05 C ATOM 2407 CD GLN A 151 -6.403 -0.965 -4.815 1.00 75.42 C ATOM 2408 OE1 GLN A 151 -5.774 -0.947 -5.873 1.00 22.11 O ATOM 2409 NE2 GLN A 151 -7.454 -0.185 -4.617 1.00 22.32 N ATOM 0 H GLN A 151 -8.086 -3.549 -1.242 1.00 31.14 H new ATOM 0 HA GLN A 151 -8.724 -2.534 -3.966 1.00 44.04 H new ATOM 0 HB2 GLN A 151 -6.176 -3.956 -3.046 1.00 61.45 H new ATOM 0 HB3 GLN A 151 -6.611 -3.676 -4.720 1.00 61.45 H new ATOM 0 HG2 GLN A 151 -6.222 -1.412 -2.716 1.00 74.05 H new ATOM 0 HG3 GLN A 151 -4.916 -2.049 -3.695 1.00 74.05 H new ATOM 0 HE21 GLN A 151 -7.956 -0.221 -3.730 1.00 22.32 H new ATOM 0 HE22 GLN A 151 -7.762 0.452 -5.352 1.00 22.32 H new ATOM 2418 N ARG A 152 -10.058 -4.671 -4.036 1.00 32.20 N ATOM 2419 CA ARG A 152 -10.847 -5.905 -4.205 1.00 3.14 C ATOM 2420 C ARG A 152 -10.538 -6.543 -5.565 1.00 45.43 C ATOM 2421 O ARG A 152 -10.318 -5.829 -6.554 1.00 22.30 O ATOM 2422 CB ARG A 152 -12.359 -5.572 -4.096 1.00 14.12 C ATOM 2423 CG ARG A 152 -12.805 -5.085 -2.698 1.00 34.05 C ATOM 2424 CD ARG A 152 -12.947 -6.221 -1.678 1.00 2.02 C ATOM 2425 NE ARG A 152 -13.289 -5.693 -0.353 1.00 75.41 N ATOM 2426 CZ ARG A 152 -13.523 -6.425 0.741 1.00 40.02 C ATOM 2427 NH1 ARG A 152 -13.467 -7.757 0.704 1.00 64.02 N ATOM 2428 NH2 ARG A 152 -13.782 -5.802 1.881 1.00 35.25 N ATOM 0 H ARG A 152 -10.534 -3.837 -4.381 1.00 32.20 H new ATOM 0 HA ARG A 152 -10.582 -6.615 -3.421 1.00 3.14 H new ATOM 0 HB2 ARG A 152 -12.604 -4.804 -4.830 1.00 14.12 H new ATOM 0 HB3 ARG A 152 -12.934 -6.460 -4.359 1.00 14.12 H new ATOM 0 HG2 ARG A 152 -12.082 -4.360 -2.326 1.00 34.05 H new ATOM 0 HG3 ARG A 152 -13.759 -4.566 -2.789 1.00 34.05 H new ATOM 0 HD2 ARG A 152 -13.719 -6.917 -2.007 1.00 2.02 H new ATOM 0 HD3 ARG A 152 -12.015 -6.783 -1.621 1.00 2.02 H new ATOM 0 HE ARG A 152 -13.354 -4.680 -0.258 1.00 75.41 H new ATOM 0 HH11 ARG A 152 -13.243 -8.234 -0.169 1.00 64.02 H new ATOM 0 HH12 ARG A 152 -13.649 -8.299 1.549 1.00 64.02 H new ATOM 0 HH21 ARG A 152 -13.800 -4.783 1.912 1.00 35.25 H new ATOM 0 HH22 ARG A 152 -13.963 -6.342 2.727 1.00 35.25 H new ATOM 2442 N LEU A 153 -10.524 -7.885 -5.600 1.00 40.52 N ATOM 2443 CA LEU A 153 -10.313 -8.637 -6.841 1.00 64.33 C ATOM 2444 C LEU A 153 -11.544 -8.537 -7.757 1.00 5.52 C ATOM 2445 O LEU A 153 -12.587 -9.138 -7.467 1.00 40.03 O ATOM 2446 CB LEU A 153 -9.991 -10.128 -6.549 1.00 55.34 C ATOM 2447 CG LEU A 153 -8.580 -10.422 -5.969 1.00 44.54 C ATOM 2448 CD1 LEU A 153 -8.402 -11.930 -5.710 1.00 40.44 C ATOM 2449 CD2 LEU A 153 -7.473 -9.870 -6.898 1.00 63.44 C ATOM 0 H LEU A 153 -10.657 -8.472 -4.776 1.00 40.52 H new ATOM 0 HA LEU A 153 -9.457 -8.193 -7.350 1.00 64.33 H new ATOM 0 HB2 LEU A 153 -10.735 -10.509 -5.850 1.00 55.34 H new ATOM 0 HB3 LEU A 153 -10.105 -10.691 -7.475 1.00 55.34 H new ATOM 0 HG LEU A 153 -8.488 -9.908 -5.012 1.00 44.54 H new ATOM 0 HD11 LEU A 153 -7.407 -12.115 -5.304 1.00 40.44 H new ATOM 0 HD12 LEU A 153 -9.154 -12.268 -4.996 1.00 40.44 H new ATOM 0 HD13 LEU A 153 -8.519 -12.476 -6.646 1.00 40.44 H new ATOM 0 HD21 LEU A 153 -6.495 -10.089 -6.469 1.00 63.44 H new ATOM 0 HD22 LEU A 153 -7.553 -10.340 -7.878 1.00 63.44 H new ATOM 0 HD23 LEU A 153 -7.590 -8.791 -7.002 1.00 63.44 H new