USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 899 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 378 THR OG1 : rot -170:sc= 1.05 USER MOD Set 1.2: A 381 SER OG : rot -80:sc= 1.19 USER MOD Set 1.3: A 383 MET CE :methyl -151:sc= -1.63 (180deg=-3.71!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 320 SER OG : rot -137:sc= -1.35 USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -0.882 USER MOD Single : A 338 GLN : amide:sc= -15.5! C(o=-16!,f=-31!) USER MOD Single : A 341 SER OG : rot -14:sc= -3.99! USER MOD Single : A 351 SER OG : rot -73:sc= 0.17 USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -146:sc= 0.111 USER MOD Single : A 371 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.34) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 384 SER OG : rot 86:sc= 0.00436 USER MOD Single : A 387 ASN :FLIP amide:sc= -2.17 F(o=-4.5!,f=-2.2) USER MOD Single : A 390 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD Single : A 392 MET CE :methyl 151:sc= -0.137 (180deg=-0.927) USER MOD Single : A 395 LYS NZ :NH3+ -179:sc= -6.51! (180deg=-6.54!) USER MOD Single : A 397 SER OG : rot -130:sc= -0.056 USER MOD Single : A 404 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-3.9!) USER MOD Single : A 408 ASN : amide:sc= -0.972 K(o=-0.97,f=-1.6!) USER MOD Single : A 411 HIS : no HD1:sc= -0.378 K(o=-0.38,f=-1.8) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 419 LYS NZ :NH3+ -114:sc=-0.00474 (180deg=-1.12) USER MOD Single : A 422 GLN :FLIP amide:sc= -0.658 F(o=-1.2,f=-0.66) USER MOD Single : A 426 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.57) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 318 113.270 -6.320 0.207 1.00 2.19 N ATOM 40 CA GLN A 318 111.860 -6.767 0.397 1.00 2.64 C ATOM 41 C GLN A 318 111.250 -6.092 1.627 1.00 2.16 C ATOM 42 O GLN A 318 111.925 -5.835 2.601 1.00 2.69 O ATOM 43 CB GLN A 318 111.957 -8.280 0.612 1.00 3.37 C ATOM 44 CG GLN A 318 110.651 -8.799 1.218 1.00 4.16 C ATOM 45 CD GLN A 318 110.724 -10.320 1.363 1.00 4.79 C ATOM 46 OE1 GLN A 318 111.648 -10.945 0.881 1.00 4.85 O ATOM 47 NE2 GLN A 318 109.781 -10.948 2.012 1.00 5.58 N ATOM 0 HA GLN A 318 111.226 -6.510 -0.452 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.153 -8.780 -0.336 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.793 -8.510 1.273 1.00 3.37 H new ATOM 0 HG2 GLN A 318 110.481 -8.338 2.191 1.00 4.16 H new ATOM 0 HG3 GLN A 318 109.809 -8.524 0.583 1.00 4.16 H new ATOM 0 HE21 GLN A 318 109.005 -10.424 2.417 1.00 5.58 H new ATOM 0 HE22 GLN A 318 109.820 -11.962 2.114 1.00 5.58 H new ATOM 56 N ALA A 319 109.959 -5.904 1.635 1.00 1.32 N ATOM 57 CA ALA A 319 109.306 -5.364 2.860 1.00 1.05 C ATOM 58 C ALA A 319 109.464 -6.353 4.010 1.00 0.89 C ATOM 59 O ALA A 319 109.145 -7.519 3.885 1.00 1.18 O ATOM 60 CB ALA A 319 107.831 -5.218 2.498 1.00 1.42 C ATOM 0 H ALA A 319 109.333 -6.099 0.854 1.00 1.32 H new ATOM 0 HA ALA A 319 109.745 -4.418 3.176 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.284 -4.824 3.354 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.729 -4.534 1.656 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.425 -6.192 2.225 1.00 1.42 H new ATOM 66 N SER A 320 109.874 -5.887 5.153 1.00 0.59 N ATOM 67 CA SER A 320 109.956 -6.797 6.327 1.00 0.64 C ATOM 68 C SER A 320 108.889 -6.430 7.363 1.00 0.49 C ATOM 69 O SER A 320 108.301 -7.288 7.990 1.00 0.50 O ATOM 70 CB SER A 320 111.359 -6.592 6.897 1.00 0.78 C ATOM 71 OG SER A 320 112.253 -7.510 6.282 1.00 1.60 O ATOM 0 H SER A 320 110.155 -4.922 5.326 1.00 0.59 H new ATOM 0 HA SER A 320 109.780 -7.837 6.052 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.691 -5.569 6.719 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.351 -6.742 7.977 1.00 0.78 H new ATOM 0 HG SER A 320 112.847 -7.893 6.961 1.00 1.60 H new ATOM 77 N GLU A 321 108.631 -5.164 7.549 1.00 0.45 N ATOM 78 CA GLU A 321 107.598 -4.757 8.545 1.00 0.44 C ATOM 79 C GLU A 321 106.854 -3.504 8.082 1.00 0.37 C ATOM 80 O GLU A 321 107.443 -2.575 7.577 1.00 0.35 O ATOM 81 CB GLU A 321 108.375 -4.468 9.824 1.00 0.59 C ATOM 82 CG GLU A 321 107.406 -3.998 10.909 1.00 0.73 C ATOM 83 CD GLU A 321 108.191 -3.620 12.167 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.406 -3.704 12.130 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.560 -3.252 13.145 1.00 1.30 O ATOM 0 H GLU A 321 109.088 -4.397 7.057 1.00 0.45 H new ATOM 0 HA GLU A 321 106.844 -5.532 8.683 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.901 -5.364 10.154 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.130 -3.704 9.639 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.834 -3.141 10.554 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.690 -4.787 11.138 1.00 0.73 H new ATOM 92 N PHE A 322 105.583 -3.432 8.351 1.00 0.40 N ATOM 93 CA PHE A 322 104.815 -2.190 8.036 1.00 0.37 C ATOM 94 C PHE A 322 104.264 -1.572 9.323 1.00 0.38 C ATOM 95 O PHE A 322 103.847 -2.269 10.226 1.00 0.42 O ATOM 96 CB PHE A 322 103.676 -2.651 7.128 1.00 0.41 C ATOM 97 CG PHE A 322 102.827 -3.661 7.859 1.00 0.52 C ATOM 98 CD1 PHE A 322 101.825 -3.230 8.739 1.00 0.94 C ATOM 99 CD2 PHE A 322 103.043 -5.032 7.662 1.00 0.67 C ATOM 100 CE1 PHE A 322 101.039 -4.168 9.421 1.00 1.14 C ATOM 101 CE2 PHE A 322 102.258 -5.971 8.344 1.00 0.87 C ATOM 102 CZ PHE A 322 101.255 -5.538 9.224 1.00 1.00 C ATOM 0 H PHE A 322 105.037 -4.181 8.777 1.00 0.40 H new ATOM 0 HA PHE A 322 105.432 -1.429 7.559 1.00 0.37 H new ATOM 0 HB2 PHE A 322 103.068 -1.798 6.828 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.079 -3.091 6.216 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.659 -2.174 8.892 1.00 0.94 H new ATOM 0 HD2 PHE A 322 103.815 -5.365 6.984 1.00 0.67 H new ATOM 0 HE1 PHE A 322 100.267 -3.835 10.099 1.00 1.14 H new ATOM 0 HE2 PHE A 322 102.425 -7.027 8.192 1.00 0.87 H new ATOM 0 HZ PHE A 322 100.649 -6.261 9.750 1.00 1.00 H new ATOM 112 N ILE A 323 104.173 -0.270 9.379 1.00 0.37 N ATOM 113 CA ILE A 323 103.548 0.373 10.575 1.00 0.41 C ATOM 114 C ILE A 323 102.506 1.421 10.160 1.00 0.43 C ATOM 115 O ILE A 323 102.808 2.343 9.429 1.00 0.53 O ATOM 116 CB ILE A 323 104.682 1.053 11.329 1.00 0.44 C ATOM 117 CG1 ILE A 323 105.906 0.136 11.365 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.210 1.331 12.755 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.528 -1.187 12.031 1.00 0.52 C ATOM 0 H ILE A 323 104.500 0.372 8.657 1.00 0.37 H new ATOM 0 HA ILE A 323 103.034 -0.369 11.185 1.00 0.41 H new ATOM 0 HB ILE A 323 104.955 1.984 10.832 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.269 -0.044 10.353 1.00 0.46 H new ATOM 0 HG13 ILE A 323 106.717 0.614 11.915 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.009 1.819 13.314 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.336 1.981 12.729 1.00 0.48 H new ATOM 0 HG23 ILE A 323 103.948 0.391 13.241 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.398 -1.843 12.058 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.185 -0.997 13.048 1.00 0.52 H new ATOM 0 HD13 ILE A 323 104.731 -1.666 11.462 1.00 0.52 H new ATOM 131 N PRO A 324 101.313 1.250 10.667 1.00 0.36 N ATOM 132 CA PRO A 324 100.210 2.193 10.372 1.00 0.40 C ATOM 133 C PRO A 324 100.632 3.635 10.655 1.00 0.64 C ATOM 134 O PRO A 324 101.510 3.894 11.456 1.00 1.44 O ATOM 135 CB PRO A 324 99.084 1.786 11.320 1.00 0.33 C ATOM 136 CG PRO A 324 99.584 0.626 12.127 1.00 0.30 C ATOM 137 CD PRO A 324 100.892 0.165 11.548 1.00 0.29 C ATOM 0 HA PRO A 324 99.914 2.151 9.324 1.00 0.40 H new ATOM 0 HB2 PRO A 324 98.808 2.617 11.970 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.191 1.509 10.760 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.714 0.919 13.169 1.00 0.30 H new ATOM 0 HG3 PRO A 324 98.857 -0.186 12.112 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.629 -0.018 12.331 1.00 0.29 H new ATOM 0 HD3 PRO A 324 100.774 -0.768 10.997 1.00 0.29 H new ATOM 145 N ALA A 325 99.956 4.575 10.058 1.00 0.75 N ATOM 146 CA ALA A 325 100.243 6.007 10.343 1.00 0.98 C ATOM 147 C ALA A 325 99.622 6.408 11.679 1.00 0.81 C ATOM 148 O ALA A 325 99.278 5.574 12.493 1.00 1.11 O ATOM 149 CB ALA A 325 99.588 6.776 9.196 1.00 1.58 C ATOM 0 H ALA A 325 99.212 4.411 9.380 1.00 0.75 H new ATOM 0 HA ALA A 325 101.311 6.211 10.413 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.755 7.845 9.332 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.025 6.459 8.249 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.517 6.574 9.187 1.00 1.58 H new ATOM 155 N GLN A 326 99.505 7.680 11.921 1.00 0.91 N ATOM 156 CA GLN A 326 98.939 8.141 13.219 1.00 1.48 C ATOM 157 C GLN A 326 97.496 7.648 13.378 1.00 1.32 C ATOM 158 O GLN A 326 96.566 8.258 12.891 1.00 1.83 O ATOM 159 CB GLN A 326 98.977 9.669 13.139 1.00 2.25 C ATOM 160 CG GLN A 326 98.587 10.261 14.496 1.00 3.14 C ATOM 161 CD GLN A 326 98.481 11.783 14.376 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.704 12.289 13.591 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.234 12.538 15.128 1.00 3.92 N ATOM 0 H GLN A 326 99.776 8.423 11.277 1.00 0.91 H new ATOM 0 HA GLN A 326 99.498 7.759 14.073 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.975 10.004 12.857 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.293 10.021 12.367 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.636 9.844 14.827 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.330 9.995 15.248 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.886 12.113 15.787 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.170 13.554 15.057 1.00 3.92 H new ATOM 172 N GLY A 327 97.295 6.609 14.146 1.00 1.28 N ATOM 173 CA GLY A 327 95.904 6.155 14.438 1.00 1.48 C ATOM 174 C GLY A 327 95.455 5.109 13.411 1.00 1.24 C ATOM 175 O GLY A 327 94.279 4.852 13.256 1.00 1.52 O ATOM 0 H GLY A 327 98.033 6.056 14.583 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.856 5.732 15.442 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.225 7.008 14.419 1.00 1.48 H new ATOM 179 N VAL A 328 96.372 4.520 12.692 1.00 0.93 N ATOM 180 CA VAL A 328 95.974 3.517 11.662 1.00 1.03 C ATOM 181 C VAL A 328 96.210 2.093 12.179 1.00 1.06 C ATOM 182 O VAL A 328 97.115 1.843 12.950 1.00 1.71 O ATOM 183 CB VAL A 328 96.869 3.810 10.458 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.556 2.818 9.336 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.605 5.234 9.965 1.00 1.57 C ATOM 0 H VAL A 328 97.375 4.689 12.772 1.00 0.93 H new ATOM 0 HA VAL A 328 94.916 3.585 11.410 1.00 1.03 H new ATOM 0 HB VAL A 328 97.915 3.711 10.749 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.194 3.027 8.477 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.740 1.802 9.686 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.511 2.917 9.044 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.242 5.446 9.106 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.559 5.330 9.673 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.825 5.942 10.764 1.00 1.57 H new ATOM 195 N ASP A 329 95.394 1.159 11.771 1.00 1.16 N ATOM 196 CA ASP A 329 95.565 -0.249 12.243 1.00 1.20 C ATOM 197 C ASP A 329 96.634 -0.961 11.405 1.00 1.16 C ATOM 198 O ASP A 329 96.779 -0.707 10.226 1.00 1.39 O ATOM 199 CB ASP A 329 94.199 -0.905 12.041 1.00 1.44 C ATOM 200 CG ASP A 329 93.177 -0.255 12.975 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.595 0.457 13.874 1.00 1.69 O ATOM 202 OD2 ASP A 329 91.995 -0.482 12.778 1.00 2.02 O ATOM 0 H ASP A 329 94.615 1.309 11.130 1.00 1.16 H new ATOM 0 HA ASP A 329 95.890 -0.300 13.282 1.00 1.20 H new ATOM 0 HB2 ASP A 329 93.881 -0.795 11.004 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.264 -1.974 12.243 1.00 1.44 H new ATOM 207 N GLU A 330 97.425 -1.803 12.018 1.00 1.13 N ATOM 208 CA GLU A 330 98.529 -2.469 11.262 1.00 1.11 C ATOM 209 C GLU A 330 97.971 -3.371 10.162 1.00 0.97 C ATOM 210 O GLU A 330 98.490 -3.416 9.066 1.00 0.91 O ATOM 211 CB GLU A 330 99.277 -3.303 12.300 1.00 1.28 C ATOM 212 CG GLU A 330 100.432 -2.480 12.863 1.00 1.68 C ATOM 213 CD GLU A 330 101.186 -3.303 13.910 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.715 -4.379 14.240 1.00 2.49 O ATOM 215 OE2 GLU A 330 102.220 -2.842 14.363 1.00 2.70 O ATOM 0 H GLU A 330 97.356 -2.058 13.003 1.00 1.13 H new ATOM 0 HA GLU A 330 99.176 -1.741 10.772 1.00 1.11 H new ATOM 0 HB2 GLU A 330 98.601 -3.600 13.102 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.654 -4.219 11.845 1.00 1.28 H new ATOM 0 HG2 GLU A 330 101.108 -2.187 12.060 1.00 1.68 H new ATOM 0 HG3 GLU A 330 100.053 -1.562 13.312 1.00 1.68 H new ATOM 222 N LYS A 331 96.893 -4.051 10.423 1.00 0.98 N ATOM 223 CA LYS A 331 96.286 -4.901 9.362 1.00 0.92 C ATOM 224 C LYS A 331 95.915 -4.035 8.160 1.00 0.81 C ATOM 225 O LYS A 331 96.099 -4.415 7.022 1.00 0.80 O ATOM 226 CB LYS A 331 95.034 -5.499 9.998 1.00 1.02 C ATOM 227 CG LYS A 331 95.433 -6.355 11.199 1.00 1.49 C ATOM 228 CD LYS A 331 94.217 -7.144 11.689 1.00 2.27 C ATOM 229 CE LYS A 331 93.162 -6.175 12.227 1.00 2.60 C ATOM 230 NZ LYS A 331 92.684 -6.793 13.496 1.00 3.03 N ATOM 0 H LYS A 331 96.407 -4.056 11.320 1.00 0.98 H new ATOM 0 HA LYS A 331 96.966 -5.675 9.007 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.358 -4.704 10.313 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.496 -6.105 9.269 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.236 -7.038 10.922 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.816 -5.722 11.999 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.801 -7.735 10.873 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.515 -7.844 12.470 1.00 2.27 H new ATOM 0 HE2 LYS A 331 93.587 -5.187 12.404 1.00 2.60 H new ATOM 0 HE3 LYS A 331 92.344 -6.047 11.517 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 91.957 -6.186 13.926 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 92.279 -7.729 13.295 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.482 -6.896 14.154 1.00 3.03 H new ATOM 244 N THR A 332 95.415 -2.861 8.410 1.00 0.78 N ATOM 245 CA THR A 332 95.048 -1.951 7.289 1.00 0.74 C ATOM 246 C THR A 332 96.283 -1.602 6.458 1.00 0.65 C ATOM 247 O THR A 332 96.248 -1.619 5.245 1.00 0.66 O ATOM 248 CB THR A 332 94.492 -0.699 7.968 1.00 0.77 C ATOM 249 OG1 THR A 332 93.412 -1.061 8.816 1.00 0.90 O ATOM 250 CG2 THR A 332 94.005 0.286 6.905 1.00 0.82 C ATOM 0 H THR A 332 95.243 -2.489 9.344 1.00 0.78 H new ATOM 0 HA THR A 332 94.328 -2.406 6.608 1.00 0.74 H new ATOM 0 HB THR A 332 95.276 -0.229 8.562 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.955 -0.252 9.128 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.609 1.178 7.390 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.837 0.564 6.258 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.221 -0.181 6.308 1.00 0.82 H new ATOM 258 N LEU A 333 97.360 -1.227 7.093 1.00 0.59 N ATOM 259 CA LEU A 333 98.561 -0.811 6.316 1.00 0.57 C ATOM 260 C LEU A 333 99.118 -1.976 5.498 1.00 0.58 C ATOM 261 O LEU A 333 99.414 -1.836 4.329 1.00 0.54 O ATOM 262 CB LEU A 333 99.588 -0.364 7.354 1.00 0.68 C ATOM 263 CG LEU A 333 100.950 -0.227 6.672 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.866 0.825 5.566 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.996 0.201 7.697 1.00 0.87 C ATOM 0 H LEU A 333 97.460 -1.191 8.107 1.00 0.59 H new ATOM 0 HA LEU A 333 98.316 -0.017 5.610 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.289 0.587 7.795 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.644 -1.089 8.166 1.00 0.68 H new ATOM 0 HG LEU A 333 101.234 -1.187 6.241 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.837 0.921 5.081 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.122 0.521 4.830 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.579 1.784 5.997 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.966 0.298 7.209 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.710 1.160 8.130 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.060 -0.548 8.486 1.00 0.87 H new ATOM 277 N ALA A 334 99.257 -3.125 6.092 1.00 0.66 N ATOM 278 CA ALA A 334 99.793 -4.282 5.323 1.00 0.73 C ATOM 279 C ALA A 334 98.890 -4.567 4.121 1.00 0.68 C ATOM 280 O ALA A 334 99.344 -4.898 3.044 1.00 0.66 O ATOM 281 CB ALA A 334 99.773 -5.455 6.306 1.00 0.87 C ATOM 0 H ALA A 334 99.026 -3.314 7.067 1.00 0.66 H new ATOM 0 HA ALA A 334 100.795 -4.099 4.935 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.155 -6.349 5.813 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.399 -5.219 7.166 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.751 -5.633 6.639 1.00 0.87 H new ATOM 287 N ASP A 335 97.611 -4.478 4.305 1.00 0.67 N ATOM 288 CA ASP A 335 96.676 -4.797 3.188 1.00 0.65 C ATOM 289 C ASP A 335 96.791 -3.775 2.049 1.00 0.62 C ATOM 290 O ASP A 335 96.817 -4.130 0.889 1.00 0.69 O ATOM 291 CB ASP A 335 95.292 -4.721 3.812 1.00 0.67 C ATOM 292 CG ASP A 335 95.146 -5.808 4.876 1.00 1.19 C ATOM 293 OD1 ASP A 335 95.967 -6.711 4.889 1.00 1.96 O ATOM 294 OD2 ASP A 335 94.216 -5.721 5.661 1.00 1.61 O ATOM 0 H ASP A 335 97.166 -4.198 5.179 1.00 0.67 H new ATOM 0 HA ASP A 335 96.894 -5.771 2.751 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.137 -3.739 4.258 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.529 -4.846 3.044 1.00 0.67 H new ATOM 299 N ALA A 336 96.835 -2.509 2.369 1.00 0.60 N ATOM 300 CA ALA A 336 96.910 -1.472 1.297 1.00 0.62 C ATOM 301 C ALA A 336 98.229 -1.589 0.539 1.00 0.51 C ATOM 302 O ALA A 336 98.276 -1.432 -0.663 1.00 0.55 O ATOM 303 CB ALA A 336 96.819 -0.129 2.021 1.00 0.76 C ATOM 0 H ALA A 336 96.822 -2.148 3.323 1.00 0.60 H new ATOM 0 HA ALA A 336 96.112 -1.586 0.563 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.868 0.681 1.293 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.876 -0.072 2.565 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.648 -0.037 2.722 1.00 0.76 H new ATOM 309 N ALA A 337 99.291 -1.908 1.217 1.00 0.46 N ATOM 310 CA ALA A 337 100.590 -2.077 0.504 1.00 0.50 C ATOM 311 C ALA A 337 100.499 -3.247 -0.479 1.00 0.62 C ATOM 312 O ALA A 337 101.117 -3.243 -1.525 1.00 0.72 O ATOM 313 CB ALA A 337 101.618 -2.373 1.596 1.00 0.50 C ATOM 0 H ALA A 337 99.320 -2.059 2.225 1.00 0.46 H new ATOM 0 HA ALA A 337 100.860 -1.192 -0.072 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.600 -2.509 1.144 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.654 -1.539 2.297 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.334 -3.282 2.127 1.00 0.50 H new ATOM 319 N GLN A 338 99.761 -4.264 -0.131 1.00 0.71 N ATOM 320 CA GLN A 338 99.659 -5.455 -1.024 1.00 0.91 C ATOM 321 C GLN A 338 98.871 -5.134 -2.297 1.00 0.94 C ATOM 322 O GLN A 338 99.300 -5.442 -3.390 1.00 1.06 O ATOM 323 CB GLN A 338 98.927 -6.506 -0.190 1.00 1.03 C ATOM 324 CG GLN A 338 99.815 -7.056 0.950 1.00 1.03 C ATOM 325 CD GLN A 338 101.177 -6.336 1.047 1.00 0.94 C ATOM 326 OE1 GLN A 338 102.000 -6.443 0.163 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.448 -5.611 2.096 1.00 0.69 N ATOM 0 H GLN A 338 99.223 -4.323 0.734 1.00 0.71 H new ATOM 0 HA GLN A 338 100.640 -5.795 -1.356 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.022 -6.069 0.233 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.613 -7.327 -0.834 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.287 -6.953 1.898 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.983 -8.121 0.792 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.760 -5.517 2.843 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.348 -5.137 2.170 1.00 0.69 H new ATOM 336 N LEU A 339 97.692 -4.595 -2.174 1.00 0.86 N ATOM 337 CA LEU A 339 96.876 -4.359 -3.403 1.00 0.90 C ATOM 338 C LEU A 339 97.478 -3.220 -4.234 1.00 0.84 C ATOM 339 O LEU A 339 97.522 -3.287 -5.447 1.00 1.00 O ATOM 340 CB LEU A 339 95.460 -4.010 -2.930 1.00 0.80 C ATOM 341 CG LEU A 339 95.499 -3.005 -1.779 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.788 -1.723 -2.208 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.772 -3.608 -0.573 1.00 1.58 C ATOM 0 H LEU A 339 97.261 -4.311 -1.294 1.00 0.86 H new ATOM 0 HA LEU A 339 96.859 -5.241 -4.043 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.887 -3.596 -3.760 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.946 -4.916 -2.609 1.00 0.80 H new ATOM 0 HG LEU A 339 96.532 -2.778 -1.515 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.813 -1.002 -1.391 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.291 -1.302 -3.078 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.752 -1.949 -2.461 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.793 -2.900 0.256 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.737 -3.822 -0.841 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.268 -4.532 -0.274 1.00 1.58 H new ATOM 355 N ALA A 340 97.986 -2.200 -3.599 1.00 0.74 N ATOM 356 CA ALA A 340 98.631 -1.094 -4.364 1.00 0.93 C ATOM 357 C ALA A 340 99.928 -1.587 -5.009 1.00 1.36 C ATOM 358 O ALA A 340 100.490 -0.938 -5.869 1.00 2.24 O ATOM 359 CB ALA A 340 98.930 -0.016 -3.322 1.00 0.82 C ATOM 0 H ALA A 340 97.983 -2.084 -2.586 1.00 0.74 H new ATOM 0 HA ALA A 340 97.996 -0.721 -5.168 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.407 0.836 -3.806 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.999 0.307 -2.855 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.597 -0.421 -2.561 1.00 0.82 H new ATOM 365 N SER A 341 100.382 -2.750 -4.632 1.00 1.07 N ATOM 366 CA SER A 341 101.616 -3.306 -5.262 1.00 1.44 C ATOM 367 C SER A 341 101.245 -4.270 -6.391 1.00 1.51 C ATOM 368 O SER A 341 102.051 -4.583 -7.241 1.00 2.65 O ATOM 369 CB SER A 341 102.352 -4.039 -4.136 1.00 2.84 C ATOM 370 OG SER A 341 101.577 -5.149 -3.714 1.00 3.56 O ATOM 0 H SER A 341 99.955 -3.339 -3.917 1.00 1.07 H new ATOM 0 HA SER A 341 102.238 -2.528 -5.705 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.329 -4.374 -4.483 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.526 -3.363 -3.299 1.00 2.84 H new ATOM 0 HG SER A 341 100.668 -5.068 -4.071 1.00 3.56 H new ATOM 376 N LEU A 342 100.021 -4.720 -6.425 1.00 1.19 N ATOM 377 CA LEU A 342 99.598 -5.637 -7.523 1.00 2.40 C ATOM 378 C LEU A 342 99.758 -4.948 -8.880 1.00 2.59 C ATOM 379 O LEU A 342 99.760 -5.589 -9.913 1.00 3.62 O ATOM 380 CB LEU A 342 98.119 -5.925 -7.258 1.00 3.39 C ATOM 381 CG LEU A 342 97.959 -6.618 -5.906 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.514 -7.098 -5.753 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.905 -7.818 -5.832 1.00 3.74 C ATOM 0 H LEU A 342 99.297 -4.494 -5.743 1.00 1.19 H new ATOM 0 HA LEU A 342 100.198 -6.547 -7.546 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.551 -4.995 -7.269 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.715 -6.555 -8.050 1.00 3.39 H new ATOM 0 HG LEU A 342 98.199 -5.918 -5.106 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.395 -7.593 -4.789 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.839 -6.244 -5.808 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.277 -7.799 -6.553 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.791 -8.312 -4.867 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.665 -8.520 -6.630 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.934 -7.477 -5.946 1.00 3.74 H new ATOM 395 N ALA A 343 99.718 -3.643 -8.896 1.00 2.04 N ATOM 396 CA ALA A 343 99.673 -2.916 -10.197 1.00 2.90 C ATOM 397 C ALA A 343 101.074 -2.482 -10.644 1.00 2.34 C ATOM 398 O ALA A 343 101.232 -1.861 -11.676 1.00 2.96 O ATOM 399 CB ALA A 343 98.792 -1.695 -9.930 1.00 3.81 C ATOM 0 H ALA A 343 99.715 -3.050 -8.066 1.00 2.04 H new ATOM 0 HA ALA A 343 99.283 -3.545 -10.997 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.706 -1.102 -10.841 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.801 -2.023 -9.616 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.240 -1.088 -9.143 1.00 3.81 H new ATOM 405 N ASP A 344 102.098 -2.852 -9.925 1.00 1.46 N ATOM 406 CA ASP A 344 103.473 -2.503 -10.388 1.00 1.77 C ATOM 407 C ASP A 344 104.193 -3.753 -10.904 1.00 1.92 C ATOM 408 O ASP A 344 103.912 -4.861 -10.492 1.00 1.99 O ATOM 409 CB ASP A 344 104.188 -1.921 -9.164 1.00 1.69 C ATOM 410 CG ASP A 344 104.631 -3.042 -8.223 1.00 2.00 C ATOM 411 OD1 ASP A 344 104.067 -4.118 -8.301 1.00 1.89 O ATOM 412 OD2 ASP A 344 105.533 -2.802 -7.436 1.00 2.84 O ATOM 0 H ASP A 344 102.046 -3.373 -9.050 1.00 1.46 H new ATOM 0 HA ASP A 344 103.457 -1.789 -11.211 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.054 -1.341 -9.482 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.523 -1.237 -8.637 1.00 1.69 H new ATOM 460 N GLU A 348 110.161 -5.715 -6.452 1.00 1.76 N ATOM 461 CA GLU A 348 109.934 -5.260 -5.051 1.00 1.64 C ATOM 462 C GLU A 348 108.435 -5.256 -4.735 1.00 1.41 C ATOM 463 O GLU A 348 108.018 -5.597 -3.648 1.00 1.31 O ATOM 464 CB GLU A 348 110.496 -3.840 -5.001 1.00 1.72 C ATOM 465 CG GLU A 348 112.011 -3.883 -5.204 1.00 2.14 C ATOM 466 CD GLU A 348 112.639 -4.816 -4.166 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.345 -4.649 -2.994 1.00 2.49 O ATOM 468 OE2 GLU A 348 113.402 -5.682 -4.561 1.00 3.25 O ATOM 0 HA GLU A 348 110.412 -5.913 -4.321 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.032 -3.227 -5.774 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.260 -3.378 -4.043 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.244 -4.232 -6.210 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.430 -2.881 -5.109 1.00 2.14 H new ATOM 475 N GLY A 349 107.621 -4.893 -5.685 1.00 1.42 N ATOM 476 CA GLY A 349 106.151 -4.894 -5.446 1.00 1.30 C ATOM 477 C GLY A 349 105.696 -6.302 -5.059 1.00 1.23 C ATOM 478 O GLY A 349 104.783 -6.476 -4.276 1.00 1.23 O ATOM 0 H GLY A 349 107.909 -4.595 -6.617 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.901 -4.189 -4.653 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.626 -4.565 -6.343 1.00 1.30 H new ATOM 482 N ARG A 350 106.402 -7.304 -5.501 1.00 1.19 N ATOM 483 CA ARG A 350 106.086 -8.690 -5.047 1.00 1.15 C ATOM 484 C ARG A 350 106.627 -8.904 -3.640 1.00 1.06 C ATOM 485 O ARG A 350 106.006 -9.540 -2.814 1.00 0.94 O ATOM 486 CB ARG A 350 106.793 -9.607 -6.041 1.00 1.18 C ATOM 487 CG ARG A 350 106.509 -9.123 -7.459 1.00 1.81 C ATOM 488 CD ARG A 350 107.089 -10.117 -8.468 1.00 2.33 C ATOM 489 NE ARG A 350 106.924 -9.458 -9.793 1.00 2.77 N ATOM 490 CZ ARG A 350 107.577 -9.902 -10.834 1.00 3.16 C ATOM 491 NH1 ARG A 350 108.379 -10.927 -10.720 1.00 3.46 N ATOM 492 NH2 ARG A 350 107.428 -9.319 -11.992 1.00 3.62 N ATOM 0 H ARG A 350 107.181 -7.226 -6.154 1.00 1.19 H new ATOM 0 HA ARG A 350 105.014 -8.885 -5.014 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.867 -9.609 -5.853 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.446 -10.633 -5.918 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.434 -9.021 -7.611 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.947 -8.137 -7.612 1.00 1.81 H new ATOM 0 HD2 ARG A 350 108.138 -10.326 -8.259 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.561 -11.070 -8.432 1.00 2.33 H new ATOM 0 HE ARG A 350 106.299 -8.657 -9.888 1.00 2.77 H new ATOM 0 HH11 ARG A 350 108.497 -11.384 -9.816 1.00 3.46 H new ATOM 0 HH12 ARG A 350 108.887 -11.270 -11.535 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.803 -8.518 -12.083 1.00 3.62 H new ATOM 0 HH22 ARG A 350 107.937 -9.664 -12.806 1.00 3.62 H new ATOM 506 N SER A 351 107.766 -8.354 -3.346 1.00 1.15 N ATOM 507 CA SER A 351 108.320 -8.508 -1.973 1.00 1.10 C ATOM 508 C SER A 351 107.298 -8.012 -0.945 1.00 0.97 C ATOM 509 O SER A 351 107.055 -8.646 0.062 1.00 0.87 O ATOM 510 CB SER A 351 109.576 -7.637 -1.952 1.00 1.25 C ATOM 511 OG SER A 351 109.203 -6.279 -1.758 1.00 2.40 O ATOM 0 H SER A 351 108.337 -7.807 -3.990 1.00 1.15 H new ATOM 0 HA SER A 351 108.546 -9.545 -1.726 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.243 -7.960 -1.153 1.00 1.25 H new ATOM 0 HB3 SER A 351 110.123 -7.746 -2.888 1.00 1.25 H new ATOM 0 HG SER A 351 108.802 -5.929 -2.581 1.00 2.40 H new ATOM 517 N ILE A 352 106.661 -6.907 -1.215 1.00 1.00 N ATOM 518 CA ILE A 352 105.614 -6.395 -0.284 1.00 0.93 C ATOM 519 C ILE A 352 104.370 -7.302 -0.300 1.00 0.80 C ATOM 520 O ILE A 352 103.877 -7.704 0.738 1.00 0.70 O ATOM 521 CB ILE A 352 105.314 -4.986 -0.805 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.341 -4.022 -0.210 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.906 -4.542 -0.402 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.303 -2.699 -0.968 1.00 1.39 C ATOM 0 H ILE A 352 106.820 -6.333 -2.043 1.00 1.00 H new ATOM 0 HA ILE A 352 105.937 -6.382 0.757 1.00 0.93 H new ATOM 0 HB ILE A 352 105.372 -4.987 -1.893 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.127 -3.854 0.846 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.339 -4.457 -0.268 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.718 -3.539 -0.784 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.173 -5.233 -0.819 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.823 -4.538 0.685 1.00 1.16 H new ATOM 0 HD11 ILE A 352 107.036 -2.014 -0.542 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.538 -2.874 -2.018 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.308 -2.262 -0.887 1.00 1.39 H new ATOM 536 N VAL A 353 103.876 -7.661 -1.459 1.00 0.86 N ATOM 537 CA VAL A 353 102.691 -8.576 -1.506 1.00 0.82 C ATOM 538 C VAL A 353 102.974 -9.852 -0.701 1.00 0.77 C ATOM 539 O VAL A 353 102.128 -10.347 0.017 1.00 0.77 O ATOM 540 CB VAL A 353 102.501 -8.916 -2.985 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.453 -10.022 -3.122 1.00 1.18 C ATOM 542 CG2 VAL A 353 102.024 -7.673 -3.739 1.00 1.10 C ATOM 0 H VAL A 353 104.236 -7.365 -2.366 1.00 0.86 H new ATOM 0 HA VAL A 353 101.802 -8.114 -1.077 1.00 0.82 H new ATOM 0 HB VAL A 353 103.449 -9.255 -3.403 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.316 -10.265 -4.176 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.788 -10.909 -2.585 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.507 -9.680 -2.703 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.889 -7.916 -4.793 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.076 -7.335 -3.320 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.767 -6.881 -3.642 1.00 1.10 H new ATOM 552 N ILE A 354 104.208 -10.262 -0.659 1.00 0.79 N ATOM 553 CA ILE A 354 104.599 -11.362 0.271 1.00 0.84 C ATOM 554 C ILE A 354 104.510 -10.890 1.720 1.00 0.72 C ATOM 555 O ILE A 354 104.070 -11.611 2.589 1.00 0.77 O ATOM 556 CB ILE A 354 106.042 -11.681 -0.091 1.00 0.97 C ATOM 557 CG1 ILE A 354 106.114 -12.122 -1.556 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.560 -12.801 0.813 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.559 -12.040 -2.047 1.00 1.36 C ATOM 0 H ILE A 354 104.966 -9.885 -1.228 1.00 0.79 H new ATOM 0 HA ILE A 354 103.947 -12.231 0.179 1.00 0.84 H new ATOM 0 HB ILE A 354 106.659 -10.793 0.049 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.742 -13.142 -1.658 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.475 -11.487 -2.169 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.594 -13.029 0.553 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.509 -12.481 1.854 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.947 -13.692 0.677 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.607 -12.354 -3.090 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.915 -11.013 -1.961 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.187 -12.694 -1.441 1.00 1.36 H new ATOM 571 N LEU A 355 105.033 -9.738 2.006 1.00 0.63 N ATOM 572 CA LEU A 355 105.096 -9.289 3.426 1.00 0.62 C ATOM 573 C LEU A 355 103.746 -9.500 4.115 1.00 0.55 C ATOM 574 O LEU A 355 103.653 -10.169 5.124 1.00 0.61 O ATOM 575 CB LEU A 355 105.411 -7.799 3.350 1.00 0.64 C ATOM 576 CG LEU A 355 105.441 -7.214 4.763 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.537 -7.904 5.577 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.728 -5.712 4.692 1.00 1.15 C ATOM 0 H LEU A 355 105.420 -9.086 1.324 1.00 0.63 H new ATOM 0 HA LEU A 355 105.839 -9.846 3.997 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.372 -7.644 2.860 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.660 -7.287 2.748 1.00 0.64 H new ATOM 0 HG LEU A 355 104.475 -7.375 5.241 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.559 -7.488 6.584 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.332 -8.973 5.631 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.502 -7.744 5.097 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.749 -5.298 5.700 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.693 -5.548 4.212 1.00 1.15 H new ATOM 0 HD23 LEU A 355 104.947 -5.219 4.113 1.00 1.15 H new ATOM 590 N ALA A 356 102.688 -8.998 3.547 1.00 0.52 N ATOM 591 CA ALA A 356 101.348 -9.254 4.148 1.00 0.54 C ATOM 592 C ALA A 356 101.027 -10.748 4.067 1.00 0.53 C ATOM 593 O ALA A 356 100.387 -11.313 4.936 1.00 0.57 O ATOM 594 CB ALA A 356 100.363 -8.445 3.303 1.00 0.61 C ATOM 0 H ALA A 356 102.689 -8.427 2.702 1.00 0.52 H new ATOM 0 HA ALA A 356 101.301 -8.967 5.198 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.353 -8.585 3.688 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.626 -7.388 3.350 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.407 -8.784 2.268 1.00 0.61 H new ATOM 755 N ARG A 365 94.377 -8.946 -4.325 1.00 1.36 N ATOM 756 CA ARG A 365 92.958 -8.562 -4.561 1.00 1.73 C ATOM 757 C ARG A 365 92.675 -8.455 -6.054 1.00 1.59 C ATOM 758 O ARG A 365 93.518 -8.064 -6.837 1.00 1.56 O ATOM 759 CB ARG A 365 92.781 -7.209 -3.878 1.00 1.83 C ATOM 760 CG ARG A 365 92.679 -7.419 -2.369 1.00 2.15 C ATOM 761 CD ARG A 365 91.343 -8.083 -2.033 1.00 2.41 C ATOM 762 NE ARG A 365 91.296 -8.122 -0.545 1.00 3.18 N ATOM 763 CZ ARG A 365 92.008 -8.998 0.113 1.00 3.60 C ATOM 764 NH1 ARG A 365 92.767 -9.846 -0.529 1.00 4.16 N ATOM 765 NH2 ARG A 365 91.961 -9.026 1.417 1.00 3.72 N ATOM 0 HA ARG A 365 92.266 -9.305 -4.164 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.623 -6.558 -4.111 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.884 -6.715 -4.250 1.00 1.83 H new ATOM 0 HG2 ARG A 365 93.504 -8.042 -2.022 1.00 2.15 H new ATOM 0 HG3 ARG A 365 92.762 -6.463 -1.852 1.00 2.15 H new ATOM 0 HD2 ARG A 365 90.506 -7.515 -2.440 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.283 -9.086 -2.456 1.00 2.41 H new ATOM 0 HE ARG A 365 90.706 -7.463 -0.038 1.00 3.18 H new ATOM 0 HH11 ARG A 365 92.805 -9.826 -1.548 1.00 4.16 H new ATOM 0 HH12 ARG A 365 93.321 -10.528 -0.011 1.00 4.16 H new ATOM 0 HH21 ARG A 365 91.369 -8.365 1.920 1.00 3.72 H new ATOM 0 HH22 ARG A 365 92.516 -9.709 1.933 1.00 3.72 H new ATOM 779 N ASP A 366 91.497 -8.833 -6.450 1.00 1.70 N ATOM 780 CA ASP A 366 91.145 -8.796 -7.896 1.00 1.93 C ATOM 781 C ASP A 366 90.611 -7.417 -8.274 1.00 2.04 C ATOM 782 O ASP A 366 89.523 -7.030 -7.899 1.00 2.65 O ATOM 783 CB ASP A 366 90.069 -9.863 -8.070 1.00 2.62 C ATOM 784 CG ASP A 366 88.942 -9.633 -7.060 1.00 2.50 C ATOM 785 OD1 ASP A 366 89.025 -8.667 -6.318 1.00 2.50 O ATOM 786 OD2 ASP A 366 88.018 -10.429 -7.040 1.00 2.86 O ATOM 0 H ASP A 366 90.757 -9.168 -5.833 1.00 1.70 H new ATOM 0 HA ASP A 366 92.006 -8.984 -8.537 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.672 -9.830 -9.085 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.500 -10.854 -7.928 1.00 2.62 H new ATOM 791 N VAL A 367 91.387 -6.666 -8.997 1.00 1.75 N ATOM 792 CA VAL A 367 90.953 -5.297 -9.385 1.00 2.31 C ATOM 793 C VAL A 367 89.830 -5.366 -10.425 1.00 2.53 C ATOM 794 O VAL A 367 88.855 -4.649 -10.343 1.00 3.04 O ATOM 795 CB VAL A 367 92.203 -4.654 -9.984 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.844 -3.298 -10.594 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.253 -4.457 -8.888 1.00 2.52 C ATOM 0 H VAL A 367 92.308 -6.941 -9.338 1.00 1.75 H new ATOM 0 HA VAL A 367 90.560 -4.730 -8.541 1.00 2.31 H new ATOM 0 HB VAL A 367 92.605 -5.305 -10.761 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.738 -2.843 -11.020 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.099 -3.437 -11.377 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.439 -2.647 -9.820 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.144 -3.998 -9.316 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.850 -3.809 -8.110 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.514 -5.423 -8.456 1.00 2.52 H new ATOM 807 N GLN A 368 90.005 -6.148 -11.457 1.00 2.20 N ATOM 808 CA GLN A 368 88.998 -6.159 -12.560 1.00 2.40 C ATOM 809 C GLN A 368 87.720 -6.892 -12.139 1.00 2.11 C ATOM 810 O GLN A 368 86.639 -6.565 -12.586 1.00 2.30 O ATOM 811 CB GLN A 368 89.668 -6.883 -13.722 1.00 2.46 C ATOM 812 CG GLN A 368 88.793 -6.737 -14.967 1.00 3.09 C ATOM 813 CD GLN A 368 89.416 -7.514 -16.128 1.00 3.29 C ATOM 814 OE1 GLN A 368 89.538 -8.721 -16.070 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.819 -6.868 -17.188 1.00 3.69 N ATOM 0 H GLN A 368 90.798 -6.777 -11.585 1.00 2.20 H new ATOM 0 HA GLN A 368 88.698 -5.146 -12.829 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.658 -6.465 -13.906 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.807 -7.937 -13.480 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.789 -7.110 -14.764 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.694 -5.684 -15.233 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.717 -5.854 -17.237 1.00 3.69 H new ATOM 0 HE22 GLN A 368 90.236 -7.377 -17.967 1.00 3.69 H new ATOM 824 N SER A 369 87.803 -7.748 -11.158 1.00 1.80 N ATOM 825 CA SER A 369 86.552 -8.321 -10.585 1.00 1.87 C ATOM 826 C SER A 369 85.842 -7.252 -9.756 1.00 1.79 C ATOM 827 O SER A 369 84.630 -7.156 -9.755 1.00 2.27 O ATOM 828 CB SER A 369 86.996 -9.492 -9.714 1.00 2.47 C ATOM 829 OG SER A 369 85.861 -10.060 -9.075 1.00 3.05 O ATOM 0 H SER A 369 88.671 -8.073 -10.732 1.00 1.80 H new ATOM 0 HA SER A 369 85.852 -8.654 -11.352 1.00 1.87 H new ATOM 0 HB2 SER A 369 87.498 -10.243 -10.323 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.716 -9.153 -8.969 1.00 2.47 H new ATOM 0 HG SER A 369 86.117 -10.393 -8.189 1.00 3.05 H new ATOM 835 N LEU A 370 86.593 -6.340 -9.210 1.00 1.38 N ATOM 836 CA LEU A 370 85.972 -5.150 -8.567 1.00 1.39 C ATOM 837 C LEU A 370 85.738 -4.060 -9.616 1.00 1.12 C ATOM 838 O LEU A 370 85.384 -2.943 -9.292 1.00 1.30 O ATOM 839 CB LEU A 370 86.999 -4.685 -7.536 1.00 1.54 C ATOM 840 CG LEU A 370 87.357 -5.848 -6.613 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.597 -5.485 -5.795 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.187 -6.125 -5.667 1.00 2.14 C ATOM 0 H LEU A 370 87.612 -6.367 -9.181 1.00 1.38 H new ATOM 0 HA LEU A 370 85.007 -5.373 -8.111 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.894 -4.317 -8.039 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.596 -3.856 -6.954 1.00 1.54 H new ATOM 0 HG LEU A 370 87.562 -6.737 -7.210 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.854 -6.314 -5.136 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.431 -5.285 -6.468 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.392 -4.597 -5.198 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.441 -6.955 -5.008 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.984 -5.236 -5.070 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.302 -6.382 -6.249 1.00 2.14 H new ATOM 854 N HIS A 371 86.081 -4.329 -10.850 1.00 1.29 N ATOM 855 CA HIS A 371 86.037 -3.253 -11.879 1.00 1.13 C ATOM 856 C HIS A 371 86.946 -2.112 -11.434 1.00 1.00 C ATOM 857 O HIS A 371 86.794 -0.975 -11.834 1.00 1.35 O ATOM 858 CB HIS A 371 84.583 -2.796 -11.914 1.00 1.54 C ATOM 859 CG HIS A 371 84.373 -1.872 -13.081 1.00 1.50 C ATOM 860 ND1 HIS A 371 84.480 -2.303 -14.394 1.00 1.97 N ATOM 861 CD2 HIS A 371 84.060 -0.537 -13.150 1.00 1.80 C ATOM 862 CE1 HIS A 371 84.237 -1.245 -15.190 1.00 2.10 C ATOM 863 NE2 HIS A 371 83.975 -0.144 -14.482 1.00 1.80 N ATOM 0 H HIS A 371 86.387 -5.242 -11.186 1.00 1.29 H new ATOM 0 HA HIS A 371 86.373 -3.586 -12.861 1.00 1.13 H new ATOM 0 HB2 HIS A 371 83.922 -3.659 -11.997 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.329 -2.287 -10.984 1.00 1.54 H new ATOM 0 HD2 HIS A 371 83.904 0.110 -12.299 1.00 1.80 H new ATOM 0 HE1 HIS A 371 84.252 -1.282 -16.269 1.00 2.10 H new ATOM 0 HE2 HIS A 371 83.759 0.786 -14.841 1.00 1.80 H new ATOM 871 N ALA A 372 87.925 -2.438 -10.645 1.00 0.75 N ATOM 872 CA ALA A 372 88.910 -1.418 -10.195 1.00 0.94 C ATOM 873 C ALA A 372 90.022 -1.262 -11.239 1.00 0.90 C ATOM 874 O ALA A 372 89.888 -1.673 -12.375 1.00 1.04 O ATOM 875 CB ALA A 372 89.473 -1.969 -8.885 1.00 1.12 C ATOM 0 H ALA A 372 88.088 -3.379 -10.287 1.00 0.75 H new ATOM 0 HA ALA A 372 88.460 -0.434 -10.063 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.211 -1.273 -8.485 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.664 -2.094 -8.165 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.946 -2.933 -9.070 1.00 1.12 H new ATOM 881 N THR A 373 91.088 -0.608 -10.875 1.00 0.85 N ATOM 882 CA THR A 373 92.190 -0.340 -11.845 1.00 0.95 C ATOM 883 C THR A 373 93.554 -0.527 -11.178 1.00 0.93 C ATOM 884 O THR A 373 93.770 -0.098 -10.068 1.00 0.95 O ATOM 885 CB THR A 373 92.009 1.119 -12.250 1.00 1.32 C ATOM 886 OG1 THR A 373 90.828 1.257 -13.027 1.00 2.11 O ATOM 887 CG2 THR A 373 93.222 1.586 -13.056 1.00 1.90 C ATOM 0 H THR A 373 91.247 -0.243 -9.936 1.00 0.85 H new ATOM 0 HA THR A 373 92.154 -1.020 -12.696 1.00 0.95 H new ATOM 0 HB THR A 373 91.920 1.733 -11.354 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.713 2.196 -13.284 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.088 2.629 -13.343 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.122 1.489 -12.448 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.322 0.973 -13.952 1.00 1.90 H new ATOM 895 N PHE A 374 94.508 -1.037 -11.898 1.00 1.01 N ATOM 896 CA PHE A 374 95.899 -1.099 -11.356 1.00 1.25 C ATOM 897 C PHE A 374 96.648 0.193 -11.715 1.00 1.63 C ATOM 898 O PHE A 374 96.553 0.682 -12.823 1.00 1.61 O ATOM 899 CB PHE A 374 96.556 -2.284 -12.073 1.00 1.33 C ATOM 900 CG PHE A 374 95.936 -3.589 -11.630 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.247 -4.129 -10.372 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.065 -4.274 -12.489 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.687 -5.351 -9.975 1.00 3.09 C ATOM 904 CE2 PHE A 374 94.503 -5.494 -12.091 1.00 1.89 C ATOM 905 CZ PHE A 374 94.814 -6.033 -10.834 1.00 2.72 C ATOM 0 H PHE A 374 94.390 -1.415 -12.838 1.00 1.01 H new ATOM 0 HA PHE A 374 95.914 -1.211 -10.272 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.444 -2.170 -13.151 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.626 -2.294 -11.863 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.918 -3.602 -9.710 1.00 2.53 H new ATOM 0 HD2 PHE A 374 94.827 -3.861 -13.458 1.00 1.41 H new ATOM 0 HE1 PHE A 374 95.928 -5.767 -9.008 1.00 3.09 H new ATOM 0 HE2 PHE A 374 93.830 -6.020 -12.752 1.00 1.89 H new ATOM 0 HZ PHE A 374 94.381 -6.974 -10.528 1.00 2.72 H new ATOM 915 N VAL A 375 97.442 0.713 -10.819 1.00 2.14 N ATOM 916 CA VAL A 375 98.250 1.925 -11.153 1.00 2.61 C ATOM 917 C VAL A 375 99.732 1.552 -11.274 1.00 2.22 C ATOM 918 O VAL A 375 100.341 1.133 -10.310 1.00 1.65 O ATOM 919 CB VAL A 375 98.041 2.885 -9.984 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.569 4.270 -10.363 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.549 2.982 -9.656 1.00 3.65 C ATOM 0 H VAL A 375 97.567 0.354 -9.873 1.00 2.14 H new ATOM 0 HA VAL A 375 97.948 2.369 -12.102 1.00 2.61 H new ATOM 0 HB VAL A 375 98.579 2.514 -9.112 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.421 4.957 -9.530 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.632 4.204 -10.593 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.031 4.638 -11.237 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.404 3.668 -8.821 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.008 3.351 -10.527 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.171 1.996 -9.385 1.00 3.65 H new ATOM 931 N PRO A 376 100.244 1.664 -12.471 1.00 2.87 N ATOM 932 CA PRO A 376 101.649 1.268 -12.746 1.00 2.67 C ATOM 933 C PRO A 376 102.628 2.005 -11.824 1.00 2.48 C ATOM 934 O PRO A 376 102.375 3.109 -11.381 1.00 3.24 O ATOM 935 CB PRO A 376 101.877 1.668 -14.207 1.00 3.84 C ATOM 936 CG PRO A 376 100.708 2.524 -14.588 1.00 4.63 C ATOM 937 CD PRO A 376 99.574 2.168 -13.669 1.00 4.03 C ATOM 0 HA PRO A 376 101.816 0.205 -12.570 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.814 2.214 -14.320 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.941 0.788 -14.847 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.960 3.581 -14.496 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.429 2.352 -15.627 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.952 3.035 -13.445 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.922 1.414 -14.111 1.00 4.03 H new ATOM 945 N PHE A 377 103.762 1.409 -11.569 1.00 2.13 N ATOM 946 CA PHE A 377 104.799 2.065 -10.717 1.00 3.07 C ATOM 947 C PHE A 377 105.853 2.735 -11.602 1.00 3.61 C ATOM 948 O PHE A 377 106.515 2.091 -12.392 1.00 4.10 O ATOM 949 CB PHE A 377 105.417 0.908 -9.922 1.00 3.15 C ATOM 950 CG PHE A 377 106.541 1.405 -9.036 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.734 2.780 -8.833 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.403 0.482 -8.425 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.784 3.229 -8.021 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.454 0.933 -7.614 1.00 5.70 C ATOM 955 CZ PHE A 377 108.644 2.306 -7.413 1.00 5.79 C ATOM 0 H PHE A 377 104.018 0.485 -11.918 1.00 2.13 H new ATOM 0 HA PHE A 377 104.391 2.841 -10.070 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.651 0.430 -9.312 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.796 0.151 -10.608 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.073 3.493 -9.303 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.257 -0.577 -8.580 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.930 4.287 -7.864 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.117 0.222 -7.144 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.454 2.653 -6.789 1.00 5.79 H new ATOM 965 N THR A 378 106.051 4.014 -11.437 1.00 3.85 N ATOM 966 CA THR A 378 107.107 4.710 -12.226 1.00 4.47 C ATOM 967 C THR A 378 108.239 5.151 -11.299 1.00 4.28 C ATOM 968 O THR A 378 108.008 5.567 -10.179 1.00 3.71 O ATOM 969 CB THR A 378 106.409 5.925 -12.839 1.00 4.59 C ATOM 970 OG1 THR A 378 106.140 6.878 -11.821 1.00 4.26 O ATOM 971 CG2 THR A 378 105.099 5.486 -13.492 1.00 5.29 C ATOM 0 H THR A 378 105.529 4.606 -10.792 1.00 3.85 H new ATOM 0 HA THR A 378 107.548 4.070 -12.990 1.00 4.47 H new ATOM 0 HB THR A 378 107.054 6.374 -13.594 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.557 7.581 -12.177 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.602 6.352 -13.929 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.309 4.756 -14.274 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.450 5.036 -12.740 1.00 5.29 H new ATOM 979 N ALA A 379 109.461 5.030 -11.744 1.00 5.01 N ATOM 980 CA ALA A 379 110.614 5.405 -10.879 1.00 5.10 C ATOM 981 C ALA A 379 110.745 6.926 -10.789 1.00 5.05 C ATOM 982 O ALA A 379 111.239 7.459 -9.815 1.00 5.37 O ATOM 983 CB ALA A 379 111.838 4.801 -11.569 1.00 6.13 C ATOM 0 H ALA A 379 109.710 4.687 -12.672 1.00 5.01 H new ATOM 0 HA ALA A 379 110.497 5.040 -9.859 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.733 5.034 -10.992 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.721 3.719 -11.637 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.934 5.219 -12.571 1.00 6.13 H new ATOM 989 N GLN A 380 110.365 7.629 -11.821 1.00 4.87 N ATOM 990 CA GLN A 380 110.538 9.111 -11.809 1.00 4.93 C ATOM 991 C GLN A 380 109.787 9.715 -10.621 1.00 4.05 C ATOM 992 O GLN A 380 110.340 10.469 -9.844 1.00 3.84 O ATOM 993 CB GLN A 380 109.931 9.592 -13.128 1.00 5.65 C ATOM 994 CG GLN A 380 110.727 9.012 -14.299 1.00 6.07 C ATOM 995 CD GLN A 380 110.187 9.577 -15.614 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.495 10.694 -15.981 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.388 8.848 -16.344 1.00 7.22 N ATOM 0 H GLN A 380 109.945 7.245 -12.667 1.00 4.87 H new ATOM 0 HA GLN A 380 111.583 9.406 -11.711 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.888 9.282 -13.195 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.943 10.681 -13.170 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.783 9.258 -14.192 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.652 7.925 -14.300 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.129 7.911 -16.036 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.022 9.216 -17.222 1.00 7.22 H new ATOM 1006 N SER A 381 108.570 9.298 -10.408 1.00 3.64 N ATOM 1007 CA SER A 381 107.832 9.747 -9.194 1.00 3.06 C ATOM 1008 C SER A 381 108.058 8.751 -8.057 1.00 2.42 C ATOM 1009 O SER A 381 107.720 9.005 -6.919 1.00 3.00 O ATOM 1010 CB SER A 381 106.363 9.767 -9.610 1.00 3.49 C ATOM 1011 OG SER A 381 105.870 8.434 -9.660 1.00 3.82 O ATOM 0 H SER A 381 108.055 8.666 -11.021 1.00 3.64 H new ATOM 0 HA SER A 381 108.163 10.723 -8.838 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.781 10.356 -8.901 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.256 10.243 -10.585 1.00 3.49 H new ATOM 0 HG SER A 381 106.140 8.017 -10.505 1.00 3.82 H new ATOM 1017 N ARG A 382 108.604 7.607 -8.366 1.00 1.65 N ATOM 1018 CA ARG A 382 108.824 6.577 -7.312 1.00 1.74 C ATOM 1019 C ARG A 382 107.494 6.233 -6.639 1.00 1.57 C ATOM 1020 O ARG A 382 107.369 6.300 -5.433 1.00 2.08 O ATOM 1021 CB ARG A 382 109.770 7.233 -6.305 1.00 2.53 C ATOM 1022 CG ARG A 382 111.037 7.700 -7.021 1.00 2.69 C ATOM 1023 CD ARG A 382 112.054 8.197 -5.990 1.00 2.89 C ATOM 1024 NE ARG A 382 113.146 8.811 -6.793 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.233 9.239 -6.206 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.368 9.131 -4.911 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.186 9.778 -6.916 1.00 4.25 N ATOM 0 H ARG A 382 108.907 7.341 -9.303 1.00 1.65 H new ATOM 0 HA ARG A 382 109.236 5.652 -7.716 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.278 8.079 -5.826 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.026 6.525 -5.516 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.462 6.881 -7.601 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.797 8.498 -7.724 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.606 8.923 -5.312 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.428 7.377 -5.377 1.00 2.89 H new ATOM 0 HE ARG A 382 113.046 8.898 -7.804 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.624 8.711 -4.354 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.218 9.466 -4.457 1.00 3.72 H new ATOM 0 HH21 ARG A 382 115.082 9.865 -7.927 1.00 4.25 H new ATOM 0 HH22 ARG A 382 116.035 10.113 -6.460 1.00 4.25 H new ATOM 1041 N MET A 383 106.493 5.881 -7.402 1.00 1.27 N ATOM 1042 CA MET A 383 105.184 5.560 -6.774 1.00 1.19 C ATOM 1043 C MET A 383 104.380 4.585 -7.629 1.00 1.07 C ATOM 1044 O MET A 383 104.386 4.640 -8.843 1.00 1.14 O ATOM 1045 CB MET A 383 104.444 6.891 -6.661 1.00 1.32 C ATOM 1046 CG MET A 383 105.122 7.769 -5.609 1.00 1.51 C ATOM 1047 SD MET A 383 104.064 9.189 -5.240 1.00 2.09 S ATOM 1048 CE MET A 383 103.770 9.695 -6.951 1.00 1.57 C ATOM 0 H MET A 383 106.526 5.803 -8.419 1.00 1.27 H new ATOM 0 HA MET A 383 105.324 5.082 -5.805 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.440 7.399 -7.625 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.403 6.718 -6.388 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.306 7.193 -4.702 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.092 8.109 -5.973 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.601 10.771 -6.988 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.639 9.443 -7.559 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.893 9.176 -7.338 1.00 1.57 H new ATOM 1058 N SER A 384 103.577 3.803 -6.978 1.00 0.97 N ATOM 1059 CA SER A 384 102.611 2.923 -7.680 1.00 1.02 C ATOM 1060 C SER A 384 101.359 2.833 -6.816 1.00 0.93 C ATOM 1061 O SER A 384 101.340 3.328 -5.712 1.00 0.83 O ATOM 1062 CB SER A 384 103.306 1.569 -7.770 1.00 1.23 C ATOM 1063 OG SER A 384 103.183 0.894 -6.525 1.00 1.18 O ATOM 0 H SER A 384 103.548 3.734 -5.961 1.00 0.97 H new ATOM 0 HA SER A 384 102.323 3.280 -8.669 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.862 0.972 -8.566 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.358 1.703 -8.022 1.00 1.23 H new ATOM 0 HG SER A 384 102.333 0.406 -6.500 1.00 1.18 H new ATOM 1069 N GLY A 385 100.309 2.239 -7.288 1.00 1.02 N ATOM 1070 CA GLY A 385 99.089 2.183 -6.440 1.00 1.00 C ATOM 1071 C GLY A 385 97.981 1.427 -7.150 1.00 0.95 C ATOM 1072 O GLY A 385 98.195 0.717 -8.109 1.00 1.13 O ATOM 0 H GLY A 385 100.237 1.797 -8.204 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.320 1.696 -5.492 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.755 3.194 -6.206 1.00 1.00 H new ATOM 1076 N ILE A 386 96.795 1.576 -6.660 1.00 0.80 N ATOM 1077 CA ILE A 386 95.633 0.881 -7.254 1.00 0.78 C ATOM 1078 C ILE A 386 94.386 1.725 -7.031 1.00 0.77 C ATOM 1079 O ILE A 386 94.256 2.399 -6.032 1.00 0.80 O ATOM 1080 CB ILE A 386 95.543 -0.438 -6.493 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.195 -1.099 -6.758 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.680 -0.186 -4.994 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.161 -2.418 -5.998 1.00 1.26 C ATOM 0 H ILE A 386 96.575 2.163 -5.855 1.00 0.80 H new ATOM 0 HA ILE A 386 95.728 0.717 -8.327 1.00 0.78 H new ATOM 0 HB ILE A 386 96.348 -1.090 -6.832 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.382 -0.450 -6.432 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.058 -1.271 -7.826 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.615 -1.133 -4.458 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.644 0.280 -4.790 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.880 0.475 -4.662 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.205 -2.913 -6.170 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.970 -3.060 -6.347 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.283 -2.227 -4.932 1.00 1.26 H new ATOM 1095 N ASN A 387 93.444 1.648 -7.911 1.00 0.78 N ATOM 1096 CA ASN A 387 92.178 2.392 -7.700 1.00 0.83 C ATOM 1097 C ASN A 387 91.022 1.402 -7.690 1.00 0.92 C ATOM 1098 O ASN A 387 90.986 0.487 -8.478 1.00 0.86 O ATOM 1099 CB ASN A 387 92.055 3.335 -8.898 1.00 0.91 C ATOM 1100 CG ASN A 387 93.400 4.008 -9.162 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.196 4.256 -8.162 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.732 4.309 -10.291 1.00 1.81 N flip ATOM 0 H ASN A 387 93.491 1.102 -8.771 1.00 0.78 H new ATOM 0 HA ASN A 387 92.164 2.941 -6.758 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.736 2.779 -9.780 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.292 4.089 -8.703 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.109 4.115 -11.075 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.634 4.756 -10.455 1.00 1.81 H new ATOM 1109 N ILE A 388 90.035 1.616 -6.882 1.00 1.18 N ATOM 1110 CA ILE A 388 88.854 0.719 -6.942 1.00 1.31 C ATOM 1111 C ILE A 388 87.582 1.512 -6.684 1.00 1.70 C ATOM 1112 O ILE A 388 87.626 2.663 -6.298 1.00 1.89 O ATOM 1113 CB ILE A 388 89.085 -0.321 -5.853 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.909 -1.298 -5.824 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.196 0.381 -4.506 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.404 -2.667 -5.365 1.00 2.11 C ATOM 0 H ILE A 388 89.990 2.363 -6.189 1.00 1.18 H new ATOM 0 HA ILE A 388 88.737 0.251 -7.919 1.00 1.31 H new ATOM 0 HB ILE A 388 90.005 -0.869 -6.058 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.134 -0.933 -5.149 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.459 -1.374 -6.814 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.361 -0.359 -3.723 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.032 1.080 -4.528 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.274 0.925 -4.302 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.569 -3.367 -5.343 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.164 -3.030 -6.057 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.833 -2.583 -4.367 1.00 2.11 H new ATOM 1128 N ASP A 389 86.457 0.953 -7.019 1.00 1.97 N ATOM 1129 CA ASP A 389 85.180 1.722 -6.957 1.00 2.37 C ATOM 1130 C ASP A 389 84.803 2.171 -5.528 1.00 2.14 C ATOM 1131 O ASP A 389 83.759 2.759 -5.330 1.00 2.92 O ATOM 1132 CB ASP A 389 84.142 0.733 -7.472 1.00 2.65 C ATOM 1133 CG ASP A 389 84.334 0.525 -8.976 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.109 1.263 -9.561 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.702 -0.367 -9.517 1.00 3.85 O ATOM 0 H ASP A 389 86.363 -0.012 -7.336 1.00 1.97 H new ATOM 0 HA ASP A 389 85.253 2.645 -7.533 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.239 -0.218 -6.948 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.138 1.107 -7.271 1.00 2.65 H new ATOM 1140 N ASN A 390 85.656 2.001 -4.550 1.00 1.20 N ATOM 1141 CA ASN A 390 85.331 2.535 -3.195 1.00 1.12 C ATOM 1142 C ASN A 390 86.581 3.105 -2.503 1.00 0.97 C ATOM 1143 O ASN A 390 86.530 3.485 -1.350 1.00 1.15 O ATOM 1144 CB ASN A 390 84.796 1.333 -2.418 1.00 1.13 C ATOM 1145 CG ASN A 390 84.054 1.819 -1.171 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.626 2.954 -1.108 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.883 1.001 -0.168 1.00 1.89 N ATOM 0 H ASN A 390 86.553 1.521 -4.630 1.00 1.20 H new ATOM 0 HA ASN A 390 84.612 3.353 -3.248 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.126 0.749 -3.048 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.618 0.676 -2.132 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.390 1.315 0.668 1.00 1.89 H new ATOM 0 HD22 ASN A 390 84.242 0.048 -0.220 1.00 1.89 H new ATOM 1154 N ARG A 391 87.727 3.054 -3.137 1.00 0.83 N ATOM 1155 CA ARG A 391 88.976 3.464 -2.431 1.00 0.73 C ATOM 1156 C ARG A 391 90.063 3.868 -3.430 1.00 0.74 C ATOM 1157 O ARG A 391 90.133 3.344 -4.521 1.00 1.10 O ATOM 1158 CB ARG A 391 89.419 2.223 -1.651 1.00 0.94 C ATOM 1159 CG ARG A 391 88.401 1.909 -0.552 1.00 1.05 C ATOM 1160 CD ARG A 391 88.958 0.811 0.357 1.00 1.30 C ATOM 1161 NE ARG A 391 87.829 0.454 1.261 1.00 1.92 N ATOM 1162 CZ ARG A 391 86.825 -0.253 0.813 1.00 2.13 C ATOM 1163 NH1 ARG A 391 86.806 -0.654 -0.430 1.00 2.15 N ATOM 1164 NH2 ARG A 391 85.839 -0.561 1.611 1.00 2.69 N ATOM 0 H ARG A 391 87.849 2.749 -4.103 1.00 0.83 H new ATOM 0 HA ARG A 391 88.806 4.325 -1.785 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.513 1.372 -2.326 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.402 2.391 -1.211 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.189 2.806 0.030 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.459 1.587 -0.995 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.289 -0.051 -0.222 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.820 1.165 0.922 1.00 1.30 H new ATOM 0 HE ARG A 391 87.839 0.762 2.233 1.00 1.92 H new ATOM 0 HH11 ARG A 391 87.576 -0.416 -1.055 1.00 2.15 H new ATOM 0 HH12 ARG A 391 86.021 -1.206 -0.776 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.853 -0.250 2.582 1.00 2.69 H new ATOM 0 HH22 ARG A 391 85.055 -1.113 1.263 1.00 2.69 H new ATOM 1178 N MET A 392 91.043 4.597 -2.973 1.00 0.48 N ATOM 1179 CA MET A 392 92.269 4.791 -3.797 1.00 0.51 C ATOM 1180 C MET A 392 93.505 4.486 -2.943 1.00 0.48 C ATOM 1181 O MET A 392 93.563 4.838 -1.782 1.00 0.52 O ATOM 1182 CB MET A 392 92.247 6.262 -4.214 1.00 0.59 C ATOM 1183 CG MET A 392 91.011 6.530 -5.076 1.00 1.14 C ATOM 1184 SD MET A 392 91.091 8.211 -5.740 1.00 1.31 S ATOM 1185 CE MET A 392 92.403 7.916 -6.951 1.00 2.02 C ATOM 0 H MET A 392 91.048 5.066 -2.067 1.00 0.48 H new ATOM 0 HA MET A 392 92.301 4.134 -4.666 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.233 6.901 -3.331 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.152 6.507 -4.771 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.959 5.808 -5.891 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.106 6.405 -4.482 1.00 1.14 H new ATOM 0 HE1 MET A 392 92.282 8.598 -7.792 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.374 8.084 -6.484 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.345 6.887 -7.307 1.00 2.02 H new ATOM 1195 N ILE A 393 94.501 3.848 -3.500 1.00 0.45 N ATOM 1196 CA ILE A 393 95.724 3.548 -2.697 1.00 0.45 C ATOM 1197 C ILE A 393 96.978 3.985 -3.458 1.00 0.50 C ATOM 1198 O ILE A 393 97.114 3.733 -4.636 1.00 0.60 O ATOM 1199 CB ILE A 393 95.711 2.032 -2.498 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.364 1.607 -1.906 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.840 1.635 -1.543 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.213 2.187 -0.500 1.00 1.68 C ATOM 0 H ILE A 393 94.522 3.524 -4.467 1.00 0.45 H new ATOM 0 HA ILE A 393 95.732 4.079 -1.745 1.00 0.45 H new ATOM 0 HB ILE A 393 95.857 1.536 -3.458 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.550 1.955 -2.542 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.298 0.520 -1.870 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.832 0.554 -1.400 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.798 1.938 -1.966 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.695 2.129 -0.582 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.253 1.883 -0.082 1.00 1.68 H new ATOM 0 HD12 ILE A 393 95.019 1.818 0.134 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.259 3.275 -0.548 1.00 1.68 H new ATOM 1214 N ARG A 394 97.931 4.553 -2.770 1.00 0.63 N ATOM 1215 CA ARG A 394 99.220 4.908 -3.435 1.00 0.72 C ATOM 1216 C ARG A 394 100.399 4.625 -2.497 1.00 0.60 C ATOM 1217 O ARG A 394 100.318 4.823 -1.306 1.00 0.54 O ATOM 1218 CB ARG A 394 99.115 6.403 -3.734 1.00 0.78 C ATOM 1219 CG ARG A 394 98.020 6.642 -4.775 1.00 1.27 C ATOM 1220 CD ARG A 394 98.495 6.138 -6.139 1.00 1.04 C ATOM 1221 NE ARG A 394 97.434 6.562 -7.095 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.703 6.683 -8.368 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.902 6.421 -8.817 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.770 7.064 -9.196 1.00 2.09 N ATOM 0 H ARG A 394 97.874 4.787 -1.779 1.00 0.63 H new ATOM 0 HA ARG A 394 99.391 4.324 -4.340 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.888 6.952 -2.820 1.00 0.78 H new ATOM 0 HB3 ARG A 394 100.070 6.778 -4.103 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.106 6.125 -4.482 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.782 7.704 -4.831 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.461 6.568 -6.405 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.617 5.055 -6.139 1.00 1.04 H new ATOM 0 HE ARG A 394 96.493 6.759 -6.754 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.633 6.120 -8.173 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.106 6.517 -9.812 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.832 7.267 -8.849 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.978 7.159 -10.190 1.00 2.09 H new ATOM 1238 N LYS A 395 101.498 4.179 -3.038 1.00 0.63 N ATOM 1239 CA LYS A 395 102.698 3.898 -2.199 1.00 0.58 C ATOM 1240 C LYS A 395 103.966 4.237 -2.987 1.00 0.60 C ATOM 1241 O LYS A 395 104.022 4.046 -4.182 1.00 0.68 O ATOM 1242 CB LYS A 395 102.638 2.397 -1.919 1.00 0.72 C ATOM 1243 CG LYS A 395 103.641 2.035 -0.825 1.00 0.80 C ATOM 1244 CD LYS A 395 104.980 1.677 -1.467 1.00 1.11 C ATOM 1245 CE LYS A 395 104.807 0.431 -2.336 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.144 -0.219 -2.334 1.00 1.57 N ATOM 0 H LYS A 395 101.618 3.995 -4.034 1.00 0.63 H new ATOM 0 HA LYS A 395 102.714 4.486 -1.281 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.631 2.115 -1.610 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.860 1.839 -2.828 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.766 2.872 -0.139 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.270 1.195 -0.238 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.340 2.509 -2.072 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.729 1.496 -0.696 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.044 -0.232 -1.930 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.496 0.693 -3.347 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.115 -1.075 -2.924 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.851 0.441 -2.716 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.403 -0.478 -1.361 1.00 1.57 H new ATOM 1260 N GLY A 396 104.986 4.714 -2.336 1.00 0.56 N ATOM 1261 CA GLY A 396 106.244 5.030 -3.078 1.00 0.60 C ATOM 1262 C GLY A 396 107.256 5.704 -2.152 1.00 0.55 C ATOM 1263 O GLY A 396 107.312 5.425 -0.971 1.00 0.82 O ATOM 0 H GLY A 396 105.009 4.899 -1.333 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.671 4.115 -3.488 1.00 0.60 H new ATOM 0 HA3 GLY A 396 106.022 5.684 -3.921 1.00 0.60 H new ATOM 1267 N SER A 397 108.087 6.557 -2.693 1.00 0.50 N ATOM 1268 CA SER A 397 109.137 7.209 -1.860 1.00 0.60 C ATOM 1269 C SER A 397 108.514 8.212 -0.888 1.00 0.48 C ATOM 1270 O SER A 397 107.425 8.707 -1.100 1.00 0.61 O ATOM 1271 CB SER A 397 110.069 7.908 -2.852 1.00 0.91 C ATOM 1272 OG SER A 397 111.066 6.991 -3.282 1.00 1.17 O ATOM 0 H SER A 397 108.083 6.829 -3.676 1.00 0.50 H new ATOM 0 HA SER A 397 109.676 6.486 -1.248 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.501 8.274 -3.707 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.534 8.776 -2.384 1.00 0.91 H new ATOM 0 HG SER A 397 111.950 7.404 -3.193 1.00 1.17 H new ATOM 1278 N VAL A 398 109.167 8.453 0.217 1.00 0.53 N ATOM 1279 CA VAL A 398 108.579 9.352 1.250 1.00 0.47 C ATOM 1280 C VAL A 398 108.353 10.747 0.671 1.00 0.51 C ATOM 1281 O VAL A 398 107.251 11.253 0.669 1.00 0.51 O ATOM 1282 CB VAL A 398 109.617 9.398 2.369 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.133 10.333 3.477 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.811 7.991 2.934 1.00 0.51 C ATOM 0 H VAL A 398 110.082 8.066 0.448 1.00 0.53 H new ATOM 0 HA VAL A 398 107.612 8.997 1.605 1.00 0.47 H new ATOM 0 HB VAL A 398 110.564 9.767 1.975 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.874 10.365 4.275 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.992 11.335 3.072 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.187 9.966 3.875 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.551 8.019 3.733 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.864 7.624 3.329 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.156 7.326 2.143 1.00 0.51 H new ATOM 1294 N ASP A 399 109.348 11.306 0.043 1.00 0.55 N ATOM 1295 CA ASP A 399 109.124 12.586 -0.682 1.00 0.62 C ATOM 1296 C ASP A 399 108.057 12.371 -1.753 1.00 0.64 C ATOM 1297 O ASP A 399 107.237 13.227 -2.017 1.00 0.64 O ATOM 1298 CB ASP A 399 110.472 12.923 -1.321 1.00 0.71 C ATOM 1299 CG ASP A 399 110.418 14.335 -1.910 1.00 1.10 C ATOM 1300 OD1 ASP A 399 109.416 15.001 -1.711 1.00 1.59 O ATOM 1301 OD2 ASP A 399 111.382 14.725 -2.549 1.00 1.46 O ATOM 0 H ASP A 399 110.298 10.937 0.000 1.00 0.55 H new ATOM 0 HA ASP A 399 108.781 13.390 -0.031 1.00 0.62 H new ATOM 0 HB2 ASP A 399 111.266 12.858 -0.577 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.707 12.200 -2.102 1.00 0.71 H new ATOM 1306 N ALA A 400 108.062 11.220 -2.362 1.00 0.70 N ATOM 1307 CA ALA A 400 107.055 10.922 -3.414 1.00 0.76 C ATOM 1308 C ALA A 400 105.638 10.917 -2.827 1.00 0.72 C ATOM 1309 O ALA A 400 104.734 11.516 -3.366 1.00 0.75 O ATOM 1310 CB ALA A 400 107.435 9.531 -3.923 1.00 0.85 C ATOM 0 H ALA A 400 108.725 10.468 -2.174 1.00 0.70 H new ATOM 0 HA ALA A 400 107.053 11.669 -4.208 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.741 9.228 -4.707 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.448 9.555 -4.325 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.387 8.817 -3.101 1.00 0.85 H new ATOM 1316 N ILE A 401 105.422 10.251 -1.729 1.00 0.67 N ATOM 1317 CA ILE A 401 104.048 10.236 -1.149 1.00 0.66 C ATOM 1318 C ILE A 401 103.658 11.628 -0.646 1.00 0.59 C ATOM 1319 O ILE A 401 102.515 12.027 -0.728 1.00 0.64 O ATOM 1320 CB ILE A 401 104.111 9.240 0.009 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.487 7.857 -0.527 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.745 9.167 0.692 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.629 7.526 -1.750 1.00 0.62 C ATOM 0 H ILE A 401 106.125 9.723 -1.212 1.00 0.67 H new ATOM 0 HA ILE A 401 103.298 9.952 -1.888 1.00 0.66 H new ATOM 0 HB ILE A 401 104.861 9.567 0.729 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.543 7.835 -0.795 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.339 7.104 0.247 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.789 8.457 1.518 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.476 10.152 1.074 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.995 8.840 -0.028 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.900 6.540 -2.129 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.576 7.529 -1.468 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.799 8.272 -2.526 1.00 0.62 H new ATOM 1335 N ARG A 402 104.593 12.375 -0.135 1.00 0.50 N ATOM 1336 CA ARG A 402 104.260 13.738 0.363 1.00 0.47 C ATOM 1337 C ARG A 402 103.747 14.602 -0.788 1.00 0.54 C ATOM 1338 O ARG A 402 102.779 15.322 -0.654 1.00 0.62 O ATOM 1339 CB ARG A 402 105.575 14.294 0.910 1.00 0.44 C ATOM 1340 CG ARG A 402 105.321 15.659 1.555 1.00 1.17 C ATOM 1341 CD ARG A 402 106.635 16.217 2.103 1.00 1.24 C ATOM 1342 NE ARG A 402 106.259 17.486 2.787 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.103 18.077 3.589 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.285 17.560 3.799 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.767 19.189 4.184 1.00 2.61 N ATOM 0 H ARG A 402 105.571 12.103 -0.040 1.00 0.50 H new ATOM 0 HA ARG A 402 103.480 13.724 1.124 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.997 13.606 1.643 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.305 14.390 0.106 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.899 16.347 0.822 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.591 15.563 2.359 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.102 15.518 2.797 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.352 16.398 1.302 1.00 1.24 H new ATOM 0 HE ARG A 402 105.338 17.895 2.628 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.551 16.691 3.335 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.941 18.025 4.426 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.846 19.596 4.022 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.426 19.651 4.811 1.00 2.61 H new ATOM 1359 N ARG A 403 104.382 14.530 -1.925 1.00 0.54 N ATOM 1360 CA ARG A 403 103.921 15.343 -3.082 1.00 0.62 C ATOM 1361 C ARG A 403 102.560 14.835 -3.584 1.00 0.72 C ATOM 1362 O ARG A 403 101.720 15.607 -4.000 1.00 0.82 O ATOM 1363 CB ARG A 403 105.026 15.192 -4.143 1.00 0.63 C ATOM 1364 CG ARG A 403 104.817 13.921 -4.968 1.00 0.83 C ATOM 1365 CD ARG A 403 104.087 14.267 -6.268 1.00 0.96 C ATOM 1366 NE ARG A 403 104.991 13.793 -7.353 1.00 1.38 N ATOM 1367 CZ ARG A 403 104.735 14.095 -8.599 1.00 2.01 C ATOM 1368 NH1 ARG A 403 103.687 14.813 -8.902 1.00 2.48 N ATOM 1369 NH2 ARG A 403 105.532 13.676 -9.544 1.00 2.46 N ATOM 0 H ARG A 403 105.198 13.944 -2.102 1.00 0.54 H new ATOM 0 HA ARG A 403 103.768 16.391 -2.826 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.027 16.062 -4.800 1.00 0.63 H new ATOM 0 HB3 ARG A 403 106.001 15.159 -3.657 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.778 13.458 -5.191 1.00 0.83 H new ATOM 0 HG3 ARG A 403 104.239 13.195 -4.396 1.00 0.83 H new ATOM 0 HD2 ARG A 403 103.116 13.774 -6.319 1.00 0.96 H new ATOM 0 HD3 ARG A 403 103.905 15.339 -6.346 1.00 0.96 H new ATOM 0 HE ARG A 403 105.811 13.232 -7.123 1.00 1.38 H new ATOM 0 HH11 ARG A 403 103.063 15.141 -8.165 1.00 2.48 H new ATOM 0 HH12 ARG A 403 103.492 15.046 -9.876 1.00 2.48 H new ATOM 0 HH21 ARG A 403 106.351 13.115 -9.309 1.00 2.46 H new ATOM 0 HH22 ARG A 403 105.336 13.909 -10.517 1.00 2.46 H new ATOM 1383 N HIS A 404 102.301 13.557 -3.478 1.00 0.74 N ATOM 1384 CA HIS A 404 100.962 13.040 -3.879 1.00 0.86 C ATOM 1385 C HIS A 404 99.875 13.583 -2.946 1.00 0.84 C ATOM 1386 O HIS A 404 98.817 13.997 -3.380 1.00 0.94 O ATOM 1387 CB HIS A 404 101.070 11.521 -3.749 1.00 0.92 C ATOM 1388 CG HIS A 404 99.778 10.890 -4.190 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.368 10.891 -5.513 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.791 10.241 -3.492 1.00 2.29 C ATOM 1391 CE1 HIS A 404 98.181 10.262 -5.570 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.782 9.845 -4.365 1.00 2.43 N ATOM 0 H HIS A 404 102.955 12.854 -3.133 1.00 0.74 H new ATOM 0 HA HIS A 404 100.690 13.347 -4.889 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.895 11.150 -4.357 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.287 11.248 -2.716 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.796 10.064 -2.427 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.618 10.112 -6.480 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.924 9.345 -4.135 1.00 2.43 H new ATOM 1400 N VAL A 405 100.144 13.629 -1.672 1.00 0.76 N ATOM 1401 CA VAL A 405 99.143 14.188 -0.721 1.00 0.79 C ATOM 1402 C VAL A 405 98.912 15.674 -1.003 1.00 0.85 C ATOM 1403 O VAL A 405 97.796 16.146 -1.001 1.00 0.94 O ATOM 1404 CB VAL A 405 99.757 13.988 0.665 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.833 14.587 1.725 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.938 12.493 0.932 1.00 0.76 C ATOM 0 H VAL A 405 101.013 13.304 -1.248 1.00 0.76 H new ATOM 0 HA VAL A 405 98.173 13.699 -0.809 1.00 0.79 H new ATOM 0 HB VAL A 405 100.726 14.485 0.707 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.271 14.444 2.713 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.705 15.653 1.536 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.863 14.092 1.684 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.376 12.350 1.920 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.969 11.996 0.889 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.599 12.066 0.177 1.00 0.76 H new ATOM 1416 N GLU A 406 99.956 16.426 -1.212 1.00 0.84 N ATOM 1417 CA GLU A 406 99.778 17.888 -1.447 1.00 0.95 C ATOM 1418 C GLU A 406 98.957 18.138 -2.718 1.00 1.05 C ATOM 1419 O GLU A 406 98.173 19.064 -2.786 1.00 1.19 O ATOM 1420 CB GLU A 406 101.195 18.440 -1.606 1.00 0.91 C ATOM 1421 CG GLU A 406 101.961 18.266 -0.293 1.00 0.88 C ATOM 1422 CD GLU A 406 103.356 18.879 -0.431 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.717 19.239 -1.540 1.00 2.16 O ATOM 1424 OE2 GLU A 406 104.040 18.978 0.574 1.00 1.86 O ATOM 0 H GLU A 406 100.921 16.095 -1.231 1.00 0.84 H new ATOM 0 HA GLU A 406 99.240 18.369 -0.630 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.711 17.919 -2.412 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.157 19.494 -1.880 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.420 18.746 0.522 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.040 17.208 -0.043 1.00 0.88 H new ATOM 1431 N ALA A 407 99.125 17.324 -3.725 1.00 1.02 N ATOM 1432 CA ALA A 407 98.347 17.529 -4.981 1.00 1.17 C ATOM 1433 C ALA A 407 96.862 17.281 -4.715 1.00 1.32 C ATOM 1434 O ALA A 407 96.016 18.081 -5.061 1.00 1.53 O ATOM 1435 CB ALA A 407 98.896 16.493 -5.964 1.00 1.12 C ATOM 0 H ALA A 407 99.764 16.529 -3.733 1.00 1.02 H new ATOM 0 HA ALA A 407 98.441 18.543 -5.369 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.372 16.581 -6.916 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.961 16.667 -6.119 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.747 15.492 -5.559 1.00 1.12 H new ATOM 1441 N ASN A 408 96.562 16.260 -3.966 1.00 1.23 N ATOM 1442 CA ASN A 408 95.164 16.044 -3.515 1.00 1.37 C ATOM 1443 C ASN A 408 94.772 17.151 -2.541 1.00 1.44 C ATOM 1444 O ASN A 408 93.609 17.441 -2.339 1.00 1.60 O ATOM 1445 CB ASN A 408 95.196 14.690 -2.814 1.00 1.27 C ATOM 1446 CG ASN A 408 95.378 13.582 -3.853 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.174 13.800 -5.032 1.00 2.75 O ATOM 1448 ND2 ASN A 408 95.758 12.396 -3.466 1.00 2.02 N ATOM 0 H ASN A 408 97.232 15.561 -3.645 1.00 1.23 H new ATOM 0 HA ASN A 408 94.440 16.061 -4.330 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.011 14.662 -2.091 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.271 14.534 -2.259 1.00 1.27 H new ATOM 0 HD21 ASN A 408 95.884 11.652 -4.152 1.00 2.02 H new ATOM 0 HD22 ASN A 408 95.929 12.213 -2.477 1.00 2.02 H new ATOM 1455 N GLY A 409 95.742 17.718 -1.883 1.00 1.37 N ATOM 1456 CA GLY A 409 95.453 18.745 -0.853 1.00 1.51 C ATOM 1457 C GLY A 409 95.427 18.087 0.526 1.00 1.69 C ATOM 1458 O GLY A 409 94.824 18.587 1.455 1.00 2.28 O ATOM 0 H GLY A 409 96.731 17.510 -2.018 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.212 19.527 -0.881 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.495 19.223 -1.058 1.00 1.51 H new ATOM 1462 N GLY A 410 96.108 16.982 0.674 1.00 1.39 N ATOM 1463 CA GLY A 410 96.161 16.304 2.000 1.00 1.72 C ATOM 1464 C GLY A 410 97.393 16.783 2.770 1.00 1.26 C ATOM 1465 O GLY A 410 98.086 17.689 2.348 1.00 1.69 O ATOM 0 H GLY A 410 96.631 16.519 -0.069 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.257 16.522 2.568 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.200 15.223 1.866 1.00 1.72 H new ATOM 1469 N HIS A 411 97.697 16.158 3.875 1.00 0.88 N ATOM 1470 CA HIS A 411 98.915 16.554 4.641 1.00 1.32 C ATOM 1471 C HIS A 411 99.634 15.311 5.177 1.00 1.27 C ATOM 1472 O HIS A 411 99.014 14.330 5.537 1.00 1.52 O ATOM 1473 CB HIS A 411 98.397 17.414 5.794 1.00 1.83 C ATOM 1474 CG HIS A 411 97.557 16.568 6.712 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.287 16.138 6.366 1.00 3.39 N ATOM 1476 CD2 HIS A 411 97.794 16.066 7.968 1.00 3.34 C ATOM 1477 CE1 HIS A 411 95.810 15.411 7.393 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.689 15.336 8.396 1.00 4.13 N ATOM 0 H HIS A 411 97.157 15.393 4.280 1.00 0.88 H new ATOM 0 HA HIS A 411 99.633 17.092 4.022 1.00 1.32 H new ATOM 0 HB2 HIS A 411 99.233 17.846 6.344 1.00 1.83 H new ATOM 0 HB3 HIS A 411 97.807 18.245 5.406 1.00 1.83 H new ATOM 0 HD2 HIS A 411 98.700 16.215 8.537 1.00 3.34 H new ATOM 0 HE1 HIS A 411 94.836 14.945 7.405 1.00 4.16 H new ATOM 0 HE2 HIS A 411 96.575 14.848 9.285 1.00 4.13 H new ATOM 1486 N PHE A 412 100.937 15.356 5.255 1.00 1.04 N ATOM 1487 CA PHE A 412 101.694 14.189 5.794 1.00 1.06 C ATOM 1488 C PHE A 412 101.859 14.324 7.313 1.00 1.03 C ATOM 1489 O PHE A 412 102.543 15.210 7.786 1.00 1.05 O ATOM 1490 CB PHE A 412 103.054 14.251 5.096 1.00 1.03 C ATOM 1491 CG PHE A 412 103.618 12.858 4.962 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.041 12.161 6.102 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.720 12.261 3.697 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.567 10.867 5.977 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.245 10.967 3.572 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.669 10.270 4.712 1.00 3.31 C ATOM 0 H PHE A 412 101.510 16.150 4.969 1.00 1.04 H new ATOM 0 HA PHE A 412 101.185 13.242 5.614 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.949 14.708 4.112 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.739 14.878 5.667 1.00 1.03 H new ATOM 0 HD1 PHE A 412 103.962 12.620 7.076 1.00 1.90 H new ATOM 0 HD2 PHE A 412 103.394 12.798 2.819 1.00 1.73 H new ATOM 0 HE1 PHE A 412 104.894 10.330 6.855 1.00 2.91 H new ATOM 0 HE2 PHE A 412 104.323 10.507 2.598 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.074 9.273 4.616 1.00 3.31 H new ATOM 1506 N PRO A 413 101.177 13.470 8.029 1.00 1.03 N ATOM 1507 CA PRO A 413 101.192 13.529 9.514 1.00 1.06 C ATOM 1508 C PRO A 413 102.618 13.358 10.053 1.00 0.96 C ATOM 1509 O PRO A 413 103.394 12.571 9.549 1.00 0.88 O ATOM 1510 CB PRO A 413 100.312 12.355 9.946 1.00 1.16 C ATOM 1511 CG PRO A 413 99.530 11.966 8.730 1.00 1.23 C ATOM 1512 CD PRO A 413 100.335 12.381 7.528 1.00 1.05 C ATOM 0 HA PRO A 413 100.834 14.486 9.894 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.918 11.523 10.305 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.649 12.642 10.762 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.348 10.891 8.718 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.556 12.455 8.727 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.935 11.556 7.144 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.693 12.715 6.713 1.00 1.05 H new ATOM 1520 N THR A 414 102.960 14.085 11.084 1.00 1.01 N ATOM 1521 CA THR A 414 104.327 13.960 11.671 1.00 0.97 C ATOM 1522 C THR A 414 104.583 12.527 12.135 1.00 0.92 C ATOM 1523 O THR A 414 105.649 11.989 11.941 1.00 0.84 O ATOM 1524 CB THR A 414 104.335 14.923 12.862 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.676 15.162 13.265 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.552 14.312 14.027 1.00 1.75 C ATOM 0 H THR A 414 102.351 14.761 11.546 1.00 1.01 H new ATOM 0 HA THR A 414 105.108 14.197 10.948 1.00 0.97 H new ATOM 0 HB THR A 414 103.868 15.863 12.570 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.684 15.779 14.026 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.560 15.001 14.872 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.523 14.130 13.718 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.014 13.370 14.322 1.00 1.75 H new ATOM 1534 N ASP A 415 103.629 11.919 12.779 1.00 0.99 N ATOM 1535 CA ASP A 415 103.854 10.537 13.285 1.00 0.97 C ATOM 1536 C ASP A 415 104.308 9.626 12.144 1.00 0.83 C ATOM 1537 O ASP A 415 105.180 8.800 12.306 1.00 0.84 O ATOM 1538 CB ASP A 415 102.499 10.084 13.823 1.00 1.08 C ATOM 1539 CG ASP A 415 102.672 8.792 14.625 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.807 8.386 14.818 1.00 1.80 O ATOM 1541 OD2 ASP A 415 101.668 8.231 15.032 1.00 1.87 O ATOM 0 H ASP A 415 102.710 12.314 12.976 1.00 0.99 H new ATOM 0 HA ASP A 415 104.629 10.500 14.051 1.00 0.97 H new ATOM 0 HB2 ASP A 415 102.069 10.861 14.454 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.805 9.922 12.999 1.00 1.08 H new ATOM 1546 N VAL A 416 103.731 9.774 10.984 1.00 0.71 N ATOM 1547 CA VAL A 416 104.139 8.917 9.834 1.00 0.60 C ATOM 1548 C VAL A 416 105.544 9.293 9.355 1.00 0.51 C ATOM 1549 O VAL A 416 106.373 8.441 9.114 1.00 0.46 O ATOM 1550 CB VAL A 416 103.102 9.206 8.752 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.519 8.532 7.443 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.743 8.661 9.194 1.00 0.71 C ATOM 0 H VAL A 416 102.995 10.451 10.782 1.00 0.71 H new ATOM 0 HA VAL A 416 104.176 7.860 10.096 1.00 0.60 H new ATOM 0 HB VAL A 416 103.033 10.283 8.596 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.776 8.741 6.673 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.488 8.919 7.127 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.591 7.455 7.595 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.000 8.866 8.423 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.816 7.585 9.350 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.443 9.143 10.124 1.00 0.71 H new ATOM 1562 N ASP A 417 105.851 10.557 9.317 1.00 0.53 N ATOM 1563 CA ASP A 417 107.241 10.974 8.969 1.00 0.53 C ATOM 1564 C ASP A 417 108.233 10.409 9.989 1.00 0.58 C ATOM 1565 O ASP A 417 109.293 9.930 9.643 1.00 0.60 O ATOM 1566 CB ASP A 417 107.216 12.500 9.026 1.00 0.61 C ATOM 1567 CG ASP A 417 106.534 13.049 7.773 1.00 1.03 C ATOM 1568 OD1 ASP A 417 106.516 12.344 6.777 1.00 1.81 O ATOM 1569 OD2 ASP A 417 106.042 14.164 7.829 1.00 1.15 O ATOM 0 H ASP A 417 105.203 11.321 9.511 1.00 0.53 H new ATOM 0 HA ASP A 417 107.554 10.608 7.991 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.683 12.832 9.917 1.00 0.61 H new ATOM 0 HB3 ASP A 417 108.232 12.888 9.099 1.00 0.61 H new ATOM 1574 N GLN A 418 107.861 10.393 11.235 1.00 0.62 N ATOM 1575 CA GLN A 418 108.737 9.786 12.273 1.00 0.68 C ATOM 1576 C GLN A 418 108.893 8.280 12.040 1.00 0.69 C ATOM 1577 O GLN A 418 109.976 7.746 12.130 1.00 0.81 O ATOM 1578 CB GLN A 418 108.018 10.075 13.592 1.00 0.73 C ATOM 1579 CG GLN A 418 108.098 11.572 13.900 1.00 1.31 C ATOM 1580 CD GLN A 418 107.344 11.866 15.198 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.564 11.057 15.658 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.545 13.000 15.813 1.00 2.60 N ATOM 0 H GLN A 418 106.982 10.777 11.582 1.00 0.62 H new ATOM 0 HA GLN A 418 109.748 10.194 12.260 1.00 0.68 H new ATOM 0 HB2 GLN A 418 106.976 9.762 13.527 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.473 9.502 14.400 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.139 11.880 13.994 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.669 12.147 13.079 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.200 13.680 15.427 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.047 13.206 16.679 1.00 2.60 H new ATOM 1591 N LYS A 419 107.834 7.589 11.719 1.00 0.61 N ATOM 1592 CA LYS A 419 107.960 6.125 11.463 1.00 0.63 C ATOM 1593 C LYS A 419 108.873 5.858 10.260 1.00 0.62 C ATOM 1594 O LYS A 419 109.659 4.936 10.262 1.00 0.71 O ATOM 1595 CB LYS A 419 106.537 5.647 11.171 1.00 0.57 C ATOM 1596 CG LYS A 419 105.690 5.755 12.440 1.00 0.81 C ATOM 1597 CD LYS A 419 104.296 5.186 12.173 1.00 0.93 C ATOM 1598 CE LYS A 419 103.414 5.394 13.407 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.843 4.339 14.367 1.00 2.49 N ATOM 0 H LYS A 419 106.893 7.971 11.623 1.00 0.61 H new ATOM 0 HA LYS A 419 108.403 5.603 12.311 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.097 6.248 10.375 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.554 4.615 10.819 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.166 5.211 13.255 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.615 6.797 12.753 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.851 5.677 11.308 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.364 4.124 11.937 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.551 6.390 13.827 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.357 5.296 13.158 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.064 3.665 14.513 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.669 3.836 13.984 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.096 4.778 15.275 1.00 2.49 H new ATOM 1613 N VAL A 420 108.787 6.667 9.241 1.00 0.56 N ATOM 1614 CA VAL A 420 109.654 6.463 8.040 1.00 0.62 C ATOM 1615 C VAL A 420 111.120 6.705 8.396 1.00 0.71 C ATOM 1616 O VAL A 420 112.010 6.018 7.935 1.00 0.79 O ATOM 1617 CB VAL A 420 109.173 7.512 7.039 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.097 7.520 5.822 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.748 7.181 6.594 1.00 0.59 C ATOM 0 H VAL A 420 108.153 7.464 9.185 1.00 0.56 H new ATOM 0 HA VAL A 420 109.587 5.449 7.646 1.00 0.62 H new ATOM 0 HB VAL A 420 109.187 8.494 7.512 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.753 8.269 5.109 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.112 7.759 6.138 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.086 6.537 5.350 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.406 7.930 5.880 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.733 6.198 6.123 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.087 7.178 7.461 1.00 0.59 H new ATOM 1629 N ASP A 421 111.373 7.688 9.202 1.00 0.72 N ATOM 1630 CA ASP A 421 112.775 8.005 9.594 1.00 0.84 C ATOM 1631 C ASP A 421 113.349 6.897 10.479 1.00 0.91 C ATOM 1632 O ASP A 421 114.454 6.436 10.276 1.00 1.00 O ATOM 1633 CB ASP A 421 112.662 9.311 10.371 1.00 0.88 C ATOM 1634 CG ASP A 421 112.378 10.460 9.403 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.440 10.231 8.207 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.102 11.552 9.874 1.00 1.25 O ATOM 0 H ASP A 421 110.664 8.295 9.613 1.00 0.72 H new ATOM 0 HA ASP A 421 113.441 8.088 8.735 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.864 9.239 11.110 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.586 9.502 10.917 1.00 0.88 H new ATOM 1641 N GLN A 422 112.581 6.428 11.421 1.00 0.89 N ATOM 1642 CA GLN A 422 113.051 5.302 12.277 1.00 0.98 C ATOM 1643 C GLN A 422 113.220 4.041 11.430 1.00 0.98 C ATOM 1644 O GLN A 422 114.144 3.278 11.615 1.00 1.07 O ATOM 1645 CB GLN A 422 111.953 5.119 13.324 1.00 0.99 C ATOM 1646 CG GLN A 422 111.785 6.416 14.121 1.00 1.32 C ATOM 1647 CD GLN A 422 113.099 6.754 14.828 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.594 7.956 14.719 1.00 2.33 O flip ATOM 1649 NE2 GLN A 422 113.680 5.915 15.487 1.00 2.33 N flip ATOM 0 H GLN A 422 111.647 6.776 11.636 1.00 0.89 H new ATOM 0 HA GLN A 422 114.017 5.500 12.741 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.014 4.854 12.839 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.208 4.298 13.994 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.498 7.230 13.455 1.00 1.32 H new ATOM 0 HG3 GLN A 422 110.984 6.305 14.852 1.00 1.32 H new ATOM 0 HE21 GLN A 422 113.293 4.975 15.572 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.555 6.150 15.955 1.00 2.33 H new ATOM 1658 N VAL A 423 112.426 3.898 10.409 1.00 0.91 N ATOM 1659 CA VAL A 423 112.641 2.785 9.451 1.00 0.94 C ATOM 1660 C VAL A 423 114.021 2.923 8.801 1.00 0.96 C ATOM 1661 O VAL A 423 114.765 1.969 8.690 1.00 1.00 O ATOM 1662 CB VAL A 423 111.536 2.967 8.417 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.733 1.983 7.267 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.177 2.728 9.071 1.00 0.99 C ATOM 0 H VAL A 423 111.635 4.506 10.197 1.00 0.91 H new ATOM 0 HA VAL A 423 112.609 1.801 9.920 1.00 0.94 H new ATOM 0 HB VAL A 423 111.576 3.984 8.027 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.940 2.119 6.532 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.699 2.163 6.796 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.701 0.963 7.651 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.389 2.859 8.330 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.138 1.714 9.468 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.034 3.441 9.883 1.00 0.99 H new ATOM 1674 N ALA A 424 114.382 4.114 8.409 1.00 0.98 N ATOM 1675 CA ALA A 424 115.730 4.329 7.810 1.00 1.07 C ATOM 1676 C ALA A 424 116.814 4.194 8.881 1.00 1.17 C ATOM 1677 O ALA A 424 117.781 3.478 8.716 1.00 1.24 O ATOM 1678 CB ALA A 424 115.697 5.757 7.277 1.00 1.09 C ATOM 0 H ALA A 424 113.801 4.949 8.478 1.00 0.98 H new ATOM 0 HA ALA A 424 115.955 3.600 7.031 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.656 5.996 6.818 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.906 5.850 6.533 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.506 6.448 8.098 1.00 1.09 H new ATOM 1684 N ARG A 425 116.654 4.876 9.983 1.00 1.23 N ATOM 1685 CA ARG A 425 117.671 4.787 11.069 1.00 1.39 C ATOM 1686 C ARG A 425 117.888 3.326 11.460 1.00 1.38 C ATOM 1687 O ARG A 425 118.913 2.962 12.002 1.00 1.53 O ATOM 1688 CB ARG A 425 117.076 5.573 12.237 1.00 1.57 C ATOM 1689 CG ARG A 425 116.959 7.050 11.854 1.00 2.17 C ATOM 1690 CD ARG A 425 116.415 7.845 13.043 1.00 2.43 C ATOM 1691 NE ARG A 425 117.507 7.817 14.056 1.00 2.68 N ATOM 1692 CZ ARG A 425 118.563 8.573 13.908 1.00 3.44 C ATOM 1693 NH1 ARG A 425 118.668 9.361 12.871 1.00 4.11 N ATOM 1694 NH2 ARG A 425 119.515 8.542 14.801 1.00 3.73 N ATOM 0 H ARG A 425 115.863 5.490 10.178 1.00 1.23 H new ATOM 0 HA ARG A 425 118.639 5.185 10.765 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.095 5.175 12.494 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.706 5.464 13.120 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.934 7.438 11.559 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.298 7.162 10.995 1.00 2.17 H new ATOM 0 HD2 ARG A 425 116.169 8.867 12.755 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.502 7.396 13.434 1.00 2.43 H new ATOM 0 HE ARG A 425 117.430 7.205 14.869 1.00 2.68 H new ATOM 0 HH11 ARG A 425 117.924 9.388 12.173 1.00 4.11 H new ATOM 0 HH12 ARG A 425 119.494 9.949 12.759 1.00 4.11 H new ATOM 0 HH21 ARG A 425 119.434 7.929 15.612 1.00 3.73 H new ATOM 0 HH22 ARG A 425 120.340 9.131 14.688 1.00 3.73 H new ATOM 1708 N GLN A 426 116.937 2.481 11.173 1.00 1.26 N ATOM 1709 CA GLN A 426 117.099 1.035 11.515 1.00 1.33 C ATOM 1710 C GLN A 426 117.722 0.270 10.344 1.00 1.26 C ATOM 1711 O GLN A 426 117.940 -0.923 10.416 1.00 1.33 O ATOM 1712 CB GLN A 426 115.687 0.534 11.802 1.00 1.34 C ATOM 1713 CG GLN A 426 115.152 1.232 13.051 1.00 1.95 C ATOM 1714 CD GLN A 426 115.829 0.649 14.292 1.00 2.42 C ATOM 1715 OE1 GLN A 426 115.919 -0.553 14.441 1.00 2.68 O ATOM 1716 NE2 GLN A 426 116.313 1.457 15.197 1.00 2.92 N ATOM 0 H GLN A 426 116.057 2.725 10.718 1.00 1.26 H new ATOM 0 HA GLN A 426 117.762 0.888 12.367 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.036 0.736 10.951 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.694 -0.546 11.949 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.341 2.304 12.990 1.00 1.95 H new ATOM 0 HG3 GLN A 426 114.072 1.102 13.118 1.00 1.95 H new ATOM 0 HE21 GLN A 426 116.238 2.467 15.072 1.00 2.92 H new ATOM 0 HE22 GLN A 426 116.766 1.078 16.029 1.00 2.92 H new ATOM 1725 N GLY A 427 118.079 0.959 9.297 1.00 1.16 N ATOM 1726 CA GLY A 427 118.769 0.282 8.161 1.00 1.14 C ATOM 1727 C GLY A 427 117.734 -0.251 7.170 1.00 1.07 C ATOM 1728 O GLY A 427 118.059 -0.959 6.237 1.00 1.11 O ATOM 0 H GLY A 427 117.924 1.960 9.177 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.438 0.982 7.661 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.385 -0.537 8.533 1.00 1.14 H new ATOM 1732 N ALA A 428 116.497 0.122 7.337 1.00 1.07 N ATOM 1733 CA ALA A 428 115.444 -0.318 6.376 1.00 1.00 C ATOM 1734 C ALA A 428 115.093 0.830 5.432 1.00 0.94 C ATOM 1735 O ALA A 428 115.199 1.986 5.784 1.00 0.97 O ATOM 1736 CB ALA A 428 114.242 -0.683 7.247 1.00 1.04 C ATOM 0 H ALA A 428 116.167 0.714 8.099 1.00 1.07 H new ATOM 0 HA ALA A 428 115.766 -1.156 5.758 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.421 -1.018 6.613 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.520 -1.483 7.934 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.927 0.191 7.817 1.00 1.04 H new ATOM 1742 N THR A 429 114.574 0.519 4.278 1.00 0.92 N ATOM 1743 CA THR A 429 114.097 1.600 3.368 1.00 0.88 C ATOM 1744 C THR A 429 112.612 1.838 3.612 1.00 0.65 C ATOM 1745 O THR A 429 111.794 0.991 3.316 1.00 0.62 O ATOM 1746 CB THR A 429 114.322 1.073 1.948 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.701 1.170 1.622 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.499 1.903 0.954 1.00 1.00 C ATOM 0 H THR A 429 114.459 -0.431 3.925 1.00 0.92 H new ATOM 0 HA THR A 429 114.621 2.542 3.530 1.00 0.88 H new ATOM 0 HB THR A 429 114.008 0.031 1.893 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.847 0.831 0.714 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.661 1.526 -0.056 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.441 1.827 1.205 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.810 2.946 1.006 1.00 1.00 H new ATOM 1756 N PRO A 430 112.316 2.961 4.199 1.00 0.70 N ATOM 1757 CA PRO A 430 110.920 3.289 4.543 1.00 0.55 C ATOM 1758 C PRO A 430 110.156 3.727 3.293 1.00 0.54 C ATOM 1759 O PRO A 430 110.236 4.866 2.880 1.00 0.68 O ATOM 1760 CB PRO A 430 111.039 4.451 5.535 1.00 0.81 C ATOM 1761 CG PRO A 430 112.509 4.688 5.738 1.00 1.20 C ATOM 1762 CD PRO A 430 113.234 4.020 4.603 1.00 1.04 C ATOM 0 HA PRO A 430 110.378 2.440 4.960 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.552 5.345 5.146 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.551 4.207 6.479 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.726 5.756 5.757 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.835 4.280 6.695 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.431 4.715 3.787 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.197 3.619 4.920 1.00 1.04 H new ATOM 1770 N LEU A 431 109.222 2.927 2.868 1.00 0.47 N ATOM 1771 CA LEU A 431 108.242 3.420 1.868 1.00 0.56 C ATOM 1772 C LEU A 431 107.057 4.023 2.615 1.00 0.54 C ATOM 1773 O LEU A 431 106.818 3.702 3.756 1.00 0.59 O ATOM 1774 CB LEU A 431 107.785 2.192 1.081 1.00 0.59 C ATOM 1775 CG LEU A 431 108.965 1.570 0.342 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.458 0.409 -0.517 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.612 2.622 -0.561 1.00 1.40 C ATOM 0 H LEU A 431 109.096 1.960 3.168 1.00 0.47 H new ATOM 0 HA LEU A 431 108.666 4.175 1.206 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.344 1.460 1.758 1.00 0.59 H new ATOM 0 HB3 LEU A 431 107.009 2.475 0.369 1.00 0.59 H new ATOM 0 HG LEU A 431 109.700 1.207 1.060 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.295 -0.042 -1.050 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.989 -0.339 0.122 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.728 0.780 -1.236 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.456 2.178 -1.090 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.879 2.982 -1.284 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.963 3.457 0.046 1.00 1.40 H new ATOM 1789 N VAL A 432 106.267 4.819 1.970 1.00 0.49 N ATOM 1790 CA VAL A 432 105.051 5.333 2.657 1.00 0.48 C ATOM 1791 C VAL A 432 103.804 5.020 1.833 1.00 0.48 C ATOM 1792 O VAL A 432 103.806 5.113 0.620 1.00 0.52 O ATOM 1793 CB VAL A 432 105.262 6.838 2.781 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.077 7.461 3.521 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.549 7.111 3.563 1.00 0.51 C ATOM 0 H VAL A 432 106.402 5.136 1.010 1.00 0.49 H new ATOM 0 HA VAL A 432 104.904 4.870 3.633 1.00 0.48 H new ATOM 0 HB VAL A 432 105.341 7.275 1.786 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.228 8.537 3.609 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.159 7.268 2.966 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.998 7.023 4.516 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.700 8.187 3.652 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.470 6.673 4.558 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.395 6.668 3.037 1.00 0.51 H new ATOM 1805 N VAL A 433 102.744 4.638 2.489 1.00 0.44 N ATOM 1806 CA VAL A 433 101.484 4.306 1.770 1.00 0.45 C ATOM 1807 C VAL A 433 100.373 5.247 2.232 1.00 0.37 C ATOM 1808 O VAL A 433 100.194 5.473 3.414 1.00 0.37 O ATOM 1809 CB VAL A 433 101.162 2.866 2.175 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.010 2.334 1.321 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.397 1.987 1.966 1.00 1.08 C ATOM 0 H VAL A 433 102.697 4.541 3.503 1.00 0.44 H new ATOM 0 HA VAL A 433 101.578 4.411 0.689 1.00 0.45 H new ATOM 0 HB VAL A 433 100.873 2.845 3.226 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.784 1.308 1.613 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.128 2.957 1.471 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.296 2.357 0.269 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.167 0.961 2.255 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.688 2.012 0.916 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.218 2.361 2.578 1.00 1.08 H new ATOM 1821 N VAL A 434 99.577 5.734 1.322 1.00 0.43 N ATOM 1822 CA VAL A 434 98.426 6.586 1.728 1.00 0.43 C ATOM 1823 C VAL A 434 97.143 6.112 1.059 1.00 0.48 C ATOM 1824 O VAL A 434 97.150 5.614 -0.047 1.00 0.90 O ATOM 1825 CB VAL A 434 98.766 8.006 1.268 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.224 8.319 1.599 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.542 8.135 -0.242 1.00 0.49 C ATOM 0 H VAL A 434 99.673 5.580 0.318 1.00 0.43 H new ATOM 0 HA VAL A 434 98.264 6.539 2.805 1.00 0.43 H new ATOM 0 HB VAL A 434 98.117 8.712 1.786 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.463 9.330 1.270 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.377 8.242 2.675 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.874 7.609 1.088 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.786 9.148 -0.561 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.182 7.425 -0.767 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.498 7.923 -0.474 1.00 0.49 H new ATOM 1837 N GLU A 435 96.038 6.398 1.669 1.00 0.61 N ATOM 1838 CA GLU A 435 94.733 6.121 1.017 1.00 0.60 C ATOM 1839 C GLU A 435 94.204 7.409 0.401 1.00 0.62 C ATOM 1840 O GLU A 435 94.129 8.429 1.057 1.00 0.67 O ATOM 1841 CB GLU A 435 93.814 5.648 2.139 1.00 0.70 C ATOM 1842 CG GLU A 435 93.616 4.138 2.020 1.00 0.76 C ATOM 1843 CD GLU A 435 92.592 3.670 3.057 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.196 4.482 3.876 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.222 2.509 3.013 1.00 1.79 O ATOM 0 H GLU A 435 95.978 6.815 2.598 1.00 0.61 H new ATOM 0 HA GLU A 435 94.806 5.377 0.224 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.246 5.895 3.109 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.853 6.159 2.079 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.274 3.884 1.017 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.565 3.624 2.173 1.00 0.76 H new ATOM 1852 N GLY A 436 93.974 7.422 -0.875 1.00 0.61 N ATOM 1853 CA GLY A 436 93.617 8.710 -1.522 1.00 0.64 C ATOM 1854 C GLY A 436 94.720 9.730 -1.222 1.00 0.68 C ATOM 1855 O GLY A 436 95.810 9.655 -1.752 1.00 1.42 O ATOM 0 H GLY A 436 94.016 6.611 -1.492 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.509 8.575 -2.598 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.658 9.069 -1.148 1.00 0.64 H new ATOM 1859 N SER A 437 94.429 10.707 -0.406 1.00 0.84 N ATOM 1860 CA SER A 437 95.441 11.763 -0.106 1.00 0.81 C ATOM 1861 C SER A 437 95.893 11.698 1.361 1.00 0.83 C ATOM 1862 O SER A 437 96.484 12.630 1.869 1.00 1.35 O ATOM 1863 CB SER A 437 94.719 13.080 -0.380 1.00 0.80 C ATOM 1864 OG SER A 437 93.900 13.407 0.735 1.00 1.42 O ATOM 0 H SER A 437 93.533 10.820 0.067 1.00 0.84 H new ATOM 0 HA SER A 437 96.341 11.644 -0.709 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.443 13.875 -0.559 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.110 12.994 -1.280 1.00 0.80 H new ATOM 0 HG SER A 437 93.436 14.253 0.563 1.00 1.42 H new ATOM 1870 N ARG A 438 95.591 10.636 2.062 1.00 0.53 N ATOM 1871 CA ARG A 438 95.976 10.570 3.503 1.00 0.62 C ATOM 1872 C ARG A 438 96.845 9.334 3.765 1.00 0.65 C ATOM 1873 O ARG A 438 96.658 8.295 3.163 1.00 0.69 O ATOM 1874 CB ARG A 438 94.652 10.476 4.261 1.00 0.78 C ATOM 1875 CG ARG A 438 94.104 9.054 4.157 1.00 1.34 C ATOM 1876 CD ARG A 438 92.630 9.047 4.558 1.00 1.53 C ATOM 1877 NE ARG A 438 92.242 7.608 4.582 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.180 7.224 5.240 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.450 8.099 5.879 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.847 5.963 5.257 1.00 3.52 N ATOM 0 H ARG A 438 95.099 9.818 1.703 1.00 0.53 H new ATOM 0 HA ARG A 438 96.561 11.435 3.816 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.800 10.744 5.307 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.934 11.185 3.849 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.217 8.683 3.138 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.671 8.386 4.805 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.484 9.511 5.533 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.025 9.607 3.845 1.00 1.53 H new ATOM 0 HE ARG A 438 92.807 6.921 4.083 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.708 9.086 5.865 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.622 7.795 6.391 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.415 5.279 4.757 1.00 3.52 H new ATOM 0 HH22 ARG A 438 90.019 5.661 5.770 1.00 3.52 H new ATOM 1894 N VAL A 439 97.842 9.469 4.592 1.00 0.67 N ATOM 1895 CA VAL A 439 98.797 8.342 4.806 1.00 0.74 C ATOM 1896 C VAL A 439 98.208 7.296 5.755 1.00 0.93 C ATOM 1897 O VAL A 439 97.787 7.604 6.853 1.00 1.41 O ATOM 1898 CB VAL A 439 100.034 8.988 5.427 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.153 7.950 5.533 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.499 10.148 4.545 1.00 0.86 C ATOM 0 H VAL A 439 98.039 10.312 5.131 1.00 0.67 H new ATOM 0 HA VAL A 439 99.023 7.821 3.876 1.00 0.74 H new ATOM 0 HB VAL A 439 99.789 9.361 6.421 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.036 8.411 5.976 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.823 7.122 6.160 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.399 7.577 4.539 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.382 10.610 4.987 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.744 9.774 3.551 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.703 10.888 4.467 1.00 0.86 H new ATOM 1910 N LEU A 440 98.202 6.056 5.347 1.00 0.79 N ATOM 1911 CA LEU A 440 97.673 4.981 6.231 1.00 1.07 C ATOM 1912 C LEU A 440 98.799 4.381 7.078 1.00 0.74 C ATOM 1913 O LEU A 440 98.572 3.922 8.179 1.00 0.88 O ATOM 1914 CB LEU A 440 97.082 3.931 5.286 1.00 1.60 C ATOM 1915 CG LEU A 440 98.135 3.490 4.269 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.408 1.997 4.439 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.613 3.755 2.855 1.00 1.57 C ATOM 0 H LEU A 440 98.541 5.742 4.438 1.00 0.79 H new ATOM 0 HA LEU A 440 96.925 5.358 6.929 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.734 3.071 5.857 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.215 4.342 4.769 1.00 1.60 H new ATOM 0 HG LEU A 440 99.057 4.049 4.429 1.00 1.48 H new ATOM 0 HD11 LEU A 440 99.159 1.680 3.715 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.774 1.807 5.448 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.487 1.438 4.275 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.361 3.442 2.126 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.693 3.192 2.695 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.413 4.820 2.735 1.00 1.57 H new ATOM 1929 N GLY A 441 100.017 4.396 6.593 1.00 0.64 N ATOM 1930 CA GLY A 441 101.138 3.841 7.412 1.00 1.02 C ATOM 1931 C GLY A 441 102.451 3.854 6.622 1.00 0.82 C ATOM 1932 O GLY A 441 102.512 4.309 5.500 1.00 0.96 O ATOM 0 H GLY A 441 100.281 4.763 5.679 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.252 4.427 8.324 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.902 2.821 7.716 1.00 1.02 H new ATOM 1936 N VAL A 442 103.509 3.374 7.224 1.00 0.56 N ATOM 1937 CA VAL A 442 104.841 3.372 6.544 1.00 0.44 C ATOM 1938 C VAL A 442 105.387 1.939 6.474 1.00 0.41 C ATOM 1939 O VAL A 442 104.998 1.083 7.245 1.00 0.41 O ATOM 1940 CB VAL A 442 105.731 4.237 7.431 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.127 4.324 6.816 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.131 5.640 7.542 1.00 0.57 C ATOM 0 H VAL A 442 103.508 2.980 8.165 1.00 0.56 H new ATOM 0 HA VAL A 442 104.791 3.749 5.522 1.00 0.44 H new ATOM 0 HB VAL A 442 105.799 3.793 8.424 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.765 4.942 7.448 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.553 3.324 6.738 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.060 4.769 5.823 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.767 6.258 8.176 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.064 6.086 6.550 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.135 5.576 7.980 1.00 0.57 H new ATOM 1952 N ILE A 443 106.252 1.657 5.536 1.00 0.42 N ATOM 1953 CA ILE A 443 106.773 0.259 5.404 1.00 0.43 C ATOM 1954 C ILE A 443 108.302 0.235 5.445 1.00 0.44 C ATOM 1955 O ILE A 443 108.965 0.910 4.691 1.00 0.51 O ATOM 1956 CB ILE A 443 106.286 -0.233 4.042 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.799 0.085 3.873 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.496 -1.744 3.947 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.031 -0.367 5.116 1.00 1.05 C ATOM 0 H ILE A 443 106.620 2.326 4.859 1.00 0.42 H new ATOM 0 HA ILE A 443 106.422 -0.369 6.223 1.00 0.43 H new ATOM 0 HB ILE A 443 106.850 0.269 3.256 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.661 1.155 3.718 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.408 -0.418 2.989 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.150 -2.099 2.976 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.556 -1.972 4.060 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.932 -2.240 4.737 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.972 -0.139 4.992 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.158 -1.441 5.251 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.415 0.157 5.991 1.00 1.05 H new ATOM 1971 N ALA A 444 108.858 -0.579 6.290 1.00 0.40 N ATOM 1972 CA ALA A 444 110.343 -0.702 6.353 1.00 0.44 C ATOM 1973 C ALA A 444 110.802 -1.956 5.606 1.00 0.43 C ATOM 1974 O ALA A 444 110.391 -3.053 5.920 1.00 0.45 O ATOM 1975 CB ALA A 444 110.658 -0.835 7.844 1.00 0.46 C ATOM 0 H ALA A 444 108.348 -1.170 6.946 1.00 0.40 H new ATOM 0 HA ALA A 444 110.848 0.148 5.895 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.735 -0.931 7.981 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.302 0.050 8.371 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.161 -1.719 8.243 1.00 0.46 H new ATOM 1981 N LEU A 445 111.640 -1.809 4.618 1.00 0.57 N ATOM 1982 CA LEU A 445 112.107 -3.007 3.859 1.00 0.63 C ATOM 1983 C LEU A 445 113.498 -3.426 4.335 1.00 0.75 C ATOM 1984 O LEU A 445 114.389 -2.609 4.451 1.00 0.92 O ATOM 1985 CB LEU A 445 112.165 -2.560 2.400 1.00 0.81 C ATOM 1986 CG LEU A 445 110.788 -2.713 1.754 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.720 -2.107 2.667 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.776 -1.985 0.408 1.00 1.91 C ATOM 0 H LEU A 445 112.021 -0.917 4.303 1.00 0.57 H new ATOM 0 HA LEU A 445 111.446 -3.862 4.000 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.490 -1.521 2.341 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.899 -3.155 1.857 1.00 0.81 H new ATOM 0 HG LEU A 445 110.576 -3.771 1.602 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.740 -2.218 2.204 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.728 -2.622 3.628 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.931 -1.049 2.821 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.795 -2.092 -0.055 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.990 -0.928 0.564 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.535 -2.416 -0.245 1.00 1.91 H new ATOM 2000 N LYS A 446 113.721 -4.703 4.489 1.00 0.89 N ATOM 2001 CA LYS A 446 115.088 -5.186 4.816 1.00 1.15 C ATOM 2002 C LYS A 446 115.870 -5.433 3.526 1.00 1.27 C ATOM 2003 O LYS A 446 115.311 -5.815 2.518 1.00 1.87 O ATOM 2004 CB LYS A 446 114.866 -6.495 5.564 1.00 1.92 C ATOM 2005 CG LYS A 446 116.181 -6.973 6.172 1.00 2.25 C ATOM 2006 CD LYS A 446 115.951 -8.320 6.853 1.00 2.85 C ATOM 2007 CE LYS A 446 117.213 -8.734 7.615 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.715 -9.433 8.832 1.00 4.48 N ATOM 0 H LYS A 446 113.013 -5.432 4.402 1.00 0.89 H new ATOM 0 HA LYS A 446 115.659 -4.469 5.406 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.122 -6.355 6.348 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.473 -7.251 4.884 1.00 1.92 H new ATOM 0 HG2 LYS A 446 116.942 -7.067 5.397 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.550 -6.244 6.894 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.106 -8.253 7.538 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.699 -9.076 6.110 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.841 -9.390 7.012 1.00 3.64 H new ATOM 0 HE3 LYS A 446 117.818 -7.866 7.878 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.523 -9.747 9.407 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.126 -8.782 9.390 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.148 -10.258 8.551 1.00 4.48 H new