USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 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 404 HIS :FLIP no HD1:sc= -0.0986 F(o=-1.3,f=-0.057) USER MOD Set 1.2: A 408 ASN :FLIP amide:sc= 0.0413 F(o=-0.73,f=-0.057) USER MOD Set 2.1: A 378 THR OG1 : rot -170:sc= 1 USER MOD Set 2.2: A 381 SER OG : rot -77:sc= 1.18 USER MOD Set 2.3: A 383 MET CE :methyl -156:sc= -1.62 (180deg=-3.64!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 320 SER OG : rot -140:sc= -0.0761 USER MOD Single : A 326 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.8!) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -160:sc= -1.93! USER MOD Single : A 338 GLN : amide:sc= -17.2! C(o=-17!,f=-33!) USER MOD Single : A 341 SER OG : rot -10:sc= -4.23! USER MOD Single : A 351 SER OG : rot -170:sc= -0.26 USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -45:sc= -1.02! USER MOD Single : A 371 HIS : no HD1:sc= -0.914 K(o=-0.91,f=-2.2!) 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 180:sc= 0 USER MOD Single : A 387 ASN :FLIP amide:sc= -2.96 F(o=-4!,f=-3) USER MOD Single : A 390 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.7!) USER MOD Single : A 392 MET CE :methyl 132:sc= -0.124 (180deg=-0.892) USER MOD Single : A 395 LYS NZ :NH3+ 173:sc= -6.88! (180deg=-7.26!) USER MOD Single : A 397 SER OG : rot -140:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.8) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3.1!) USER MOD Single : A 419 LYS NZ :NH3+ 158:sc= -2.53! (180deg=-3.19!) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 426 GLN : amide:sc=-0.00685 K(o=-0.0068,f=-1.5!) 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 318 113.139 -5.591 0.041 1.00 2.19 N ATOM 40 CA GLN A 318 111.824 -6.273 0.267 1.00 2.64 C ATOM 41 C GLN A 318 111.139 -5.675 1.496 1.00 2.16 C ATOM 42 O GLN A 318 111.784 -5.366 2.472 1.00 2.69 O ATOM 43 CB GLN A 318 112.155 -7.748 0.532 1.00 3.37 C ATOM 44 CG GLN A 318 113.336 -8.190 -0.331 1.00 4.16 C ATOM 45 CD GLN A 318 113.546 -9.697 -0.180 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.073 -10.296 0.766 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.238 -10.342 -1.080 1.00 5.58 N ATOM 0 HA GLN A 318 111.157 -6.154 -0.587 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.393 -7.891 1.586 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.285 -8.368 0.315 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.149 -7.942 -1.376 1.00 4.16 H new ATOM 0 HG3 GLN A 318 114.238 -7.655 -0.033 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.635 -9.840 -1.874 1.00 5.58 H new ATOM 0 HE22 GLN A 318 114.381 -11.348 -0.989 1.00 5.58 H new ATOM 56 N ALA A 319 109.835 -5.640 1.518 1.00 1.32 N ATOM 57 CA ALA A 319 109.143 -5.204 2.766 1.00 1.05 C ATOM 58 C ALA A 319 109.387 -6.222 3.876 1.00 0.89 C ATOM 59 O ALA A 319 109.049 -7.383 3.750 1.00 1.18 O ATOM 60 CB ALA A 319 107.660 -5.164 2.416 1.00 1.42 C ATOM 0 H ALA A 319 109.225 -5.890 0.739 1.00 1.32 H new ATOM 0 HA ALA A 319 109.505 -4.237 3.117 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.088 -4.850 3.289 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.497 -4.457 1.603 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.333 -6.156 2.105 1.00 1.42 H new ATOM 66 N SER A 320 109.936 -5.794 4.975 1.00 0.59 N ATOM 67 CA SER A 320 110.154 -6.743 6.099 1.00 0.64 C ATOM 68 C SER A 320 109.299 -6.356 7.310 1.00 0.49 C ATOM 69 O SER A 320 108.778 -7.206 8.005 1.00 0.50 O ATOM 70 CB SER A 320 111.642 -6.634 6.430 1.00 0.78 C ATOM 71 OG SER A 320 112.366 -7.580 5.655 1.00 1.60 O ATOM 0 H SER A 320 110.241 -4.836 5.144 1.00 0.59 H new ATOM 0 HA SER A 320 109.869 -7.761 5.833 1.00 0.64 H new ATOM 0 HB2 SER A 320 112.000 -5.626 6.221 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.804 -6.816 7.492 1.00 0.78 H new ATOM 0 HG SER A 320 113.071 -7.982 6.204 1.00 1.60 H new ATOM 77 N GLU A 321 109.148 -5.086 7.574 1.00 0.45 N ATOM 78 CA GLU A 321 108.325 -4.669 8.746 1.00 0.44 C ATOM 79 C GLU A 321 107.333 -3.584 8.349 1.00 0.37 C ATOM 80 O GLU A 321 107.659 -2.651 7.648 1.00 0.35 O ATOM 81 CB GLU A 321 109.314 -4.129 9.767 1.00 0.59 C ATOM 82 CG GLU A 321 108.563 -3.702 11.028 1.00 0.73 C ATOM 83 CD GLU A 321 109.545 -3.078 12.021 1.00 1.02 C ATOM 84 OE1 GLU A 321 110.716 -2.983 11.688 1.00 1.30 O ATOM 85 OE2 GLU A 321 109.112 -2.707 13.099 1.00 1.82 O ATOM 0 H GLU A 321 109.556 -4.324 7.033 1.00 0.45 H new ATOM 0 HA GLU A 321 107.743 -5.501 9.142 1.00 0.44 H new ATOM 0 HB2 GLU A 321 110.053 -4.892 10.012 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.857 -3.281 9.350 1.00 0.59 H new ATOM 0 HG2 GLU A 321 107.782 -2.985 10.774 1.00 0.73 H new ATOM 0 HG3 GLU A 321 108.071 -4.563 11.480 1.00 0.73 H new ATOM 92 N PHE A 322 106.117 -3.722 8.769 1.00 0.40 N ATOM 93 CA PHE A 322 105.076 -2.720 8.391 1.00 0.37 C ATOM 94 C PHE A 322 104.508 -1.999 9.626 1.00 0.38 C ATOM 95 O PHE A 322 104.332 -2.573 10.680 1.00 0.42 O ATOM 96 CB PHE A 322 104.010 -3.523 7.617 1.00 0.41 C ATOM 97 CG PHE A 322 102.981 -4.187 8.523 1.00 0.52 C ATOM 98 CD1 PHE A 322 103.329 -4.705 9.784 1.00 0.94 C ATOM 99 CD2 PHE A 322 101.660 -4.308 8.067 1.00 0.67 C ATOM 100 CE1 PHE A 322 102.359 -5.329 10.580 1.00 1.14 C ATOM 101 CE2 PHE A 322 100.695 -4.938 8.862 1.00 0.87 C ATOM 102 CZ PHE A 322 101.044 -5.447 10.118 1.00 1.00 C ATOM 0 H PHE A 322 105.789 -4.486 9.361 1.00 0.40 H new ATOM 0 HA PHE A 322 105.480 -1.916 7.775 1.00 0.37 H new ATOM 0 HB2 PHE A 322 103.497 -2.858 6.923 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.505 -4.288 7.019 1.00 0.41 H new ATOM 0 HD1 PHE A 322 104.346 -4.622 10.139 1.00 0.94 H new ATOM 0 HD2 PHE A 322 101.386 -3.914 7.099 1.00 0.67 H new ATOM 0 HE1 PHE A 322 102.627 -5.719 11.551 1.00 1.14 H new ATOM 0 HE2 PHE A 322 99.680 -5.031 8.505 1.00 0.87 H new ATOM 0 HZ PHE A 322 100.298 -5.931 10.731 1.00 1.00 H new ATOM 112 N ILE A 323 104.255 -0.719 9.510 1.00 0.37 N ATOM 113 CA ILE A 323 103.726 0.048 10.682 1.00 0.41 C ATOM 114 C ILE A 323 102.624 1.020 10.236 1.00 0.43 C ATOM 115 O ILE A 323 102.742 1.662 9.212 1.00 0.53 O ATOM 116 CB ILE A 323 104.911 0.831 11.256 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.202 0.014 11.137 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.634 1.124 12.730 1.00 0.48 C ATOM 119 CD1 ILE A 323 106.091 -1.246 11.994 1.00 0.52 C ATOM 0 H ILE A 323 104.391 -0.173 8.659 1.00 0.37 H new ATOM 0 HA ILE A 323 103.292 -0.623 11.423 1.00 0.41 H new ATOM 0 HB ILE A 323 105.033 1.759 10.698 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.379 -0.256 10.096 1.00 0.46 H new ATOM 0 HG13 ILE A 323 107.054 0.612 11.460 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.469 1.682 13.153 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.722 1.714 12.818 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.513 0.186 13.271 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.010 -1.826 11.909 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.935 -0.965 13.036 1.00 0.52 H new ATOM 0 HD13 ILE A 323 105.249 -1.847 11.650 1.00 0.52 H new ATOM 131 N PRO A 324 101.600 1.120 11.042 1.00 0.36 N ATOM 132 CA PRO A 324 100.481 2.050 10.744 1.00 0.40 C ATOM 133 C PRO A 324 100.927 3.508 10.851 1.00 0.64 C ATOM 134 O PRO A 324 101.817 3.844 11.607 1.00 1.44 O ATOM 135 CB PRO A 324 99.437 1.751 11.818 1.00 0.33 C ATOM 136 CG PRO A 324 99.912 0.534 12.546 1.00 0.30 C ATOM 137 CD PRO A 324 101.386 0.387 12.289 1.00 0.29 C ATOM 0 HA PRO A 324 100.105 1.913 9.730 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.330 2.594 12.501 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.459 1.578 11.370 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.719 0.629 13.615 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.375 -0.350 12.202 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.977 0.804 13.104 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.672 -0.660 12.191 1.00 0.29 H new ATOM 145 N ALA A 325 100.196 4.390 10.228 1.00 0.75 N ATOM 146 CA ALA A 325 100.442 5.844 10.435 1.00 0.98 C ATOM 147 C ALA A 325 99.795 6.294 11.744 1.00 0.81 C ATOM 148 O ALA A 325 99.494 5.494 12.607 1.00 1.11 O ATOM 149 CB ALA A 325 99.777 6.533 9.243 1.00 1.58 C ATOM 0 H ALA A 325 99.438 4.166 9.584 1.00 0.75 H new ATOM 0 HA ALA A 325 101.503 6.084 10.499 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.915 7.611 9.323 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.230 6.177 8.318 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.712 6.303 9.238 1.00 1.58 H new ATOM 155 N GLN A 326 99.627 7.570 11.918 1.00 0.91 N ATOM 156 CA GLN A 326 99.058 8.077 13.198 1.00 1.48 C ATOM 157 C GLN A 326 97.625 7.568 13.387 1.00 1.32 C ATOM 158 O GLN A 326 96.691 8.086 12.806 1.00 1.83 O ATOM 159 CB GLN A 326 99.072 9.600 13.053 1.00 2.25 C ATOM 160 CG GLN A 326 98.735 10.247 14.399 1.00 3.14 C ATOM 161 CD GLN A 326 98.912 11.763 14.292 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.327 12.266 13.268 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.616 12.516 15.316 1.00 3.92 N ATOM 0 H GLN A 326 99.858 8.287 11.231 1.00 0.91 H new ATOM 0 HA GLN A 326 99.626 7.740 14.065 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.052 9.934 12.713 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.350 9.910 12.298 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.710 10.009 14.683 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.383 9.848 15.179 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.267 12.093 16.176 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.733 13.527 15.256 1.00 3.92 H new ATOM 172 N GLY A 327 97.432 6.621 14.268 1.00 1.28 N ATOM 173 CA GLY A 327 96.048 6.159 14.579 1.00 1.48 C ATOM 174 C GLY A 327 95.618 5.066 13.595 1.00 1.24 C ATOM 175 O GLY A 327 94.443 4.829 13.395 1.00 1.52 O ATOM 0 H GLY A 327 98.173 6.148 14.785 1.00 1.28 H new ATOM 0 HA2 GLY A 327 96.006 5.777 15.599 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.356 6.999 14.525 1.00 1.48 H new ATOM 179 N VAL A 328 96.552 4.434 12.936 1.00 0.93 N ATOM 180 CA VAL A 328 96.179 3.408 11.920 1.00 1.03 C ATOM 181 C VAL A 328 96.422 1.996 12.466 1.00 1.06 C ATOM 182 O VAL A 328 97.322 1.769 13.249 1.00 1.71 O ATOM 183 CB VAL A 328 97.093 3.681 10.728 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.726 2.738 9.580 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.916 5.131 10.272 1.00 1.57 C ATOM 0 H VAL A 328 97.554 4.583 13.057 1.00 0.93 H new ATOM 0 HA VAL A 328 95.124 3.465 11.651 1.00 1.03 H new ATOM 0 HB VAL A 328 98.130 3.515 11.019 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.378 2.931 8.728 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.850 1.705 9.904 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.689 2.905 9.289 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.568 5.327 9.421 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.879 5.297 9.980 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.175 5.804 11.090 1.00 1.57 H new ATOM 195 N ASP A 329 95.669 1.033 12.005 1.00 1.16 N ATOM 196 CA ASP A 329 95.918 -0.376 12.429 1.00 1.20 C ATOM 197 C ASP A 329 96.992 -1.006 11.535 1.00 1.16 C ATOM 198 O ASP A 329 97.106 -0.682 10.370 1.00 1.39 O ATOM 199 CB ASP A 329 94.577 -1.089 12.248 1.00 1.44 C ATOM 200 CG ASP A 329 93.558 -0.519 13.235 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.970 0.187 14.141 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.381 -0.798 13.070 1.00 1.69 O ATOM 0 H ASP A 329 94.894 1.160 11.354 1.00 1.16 H new ATOM 0 HA ASP A 329 96.275 -0.446 13.456 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.220 -0.961 11.226 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.698 -2.160 12.412 1.00 1.44 H new ATOM 207 N GLU A 330 97.822 -1.851 12.085 1.00 1.13 N ATOM 208 CA GLU A 330 98.935 -2.434 11.276 1.00 1.11 C ATOM 209 C GLU A 330 98.376 -3.275 10.128 1.00 0.97 C ATOM 210 O GLU A 330 98.826 -3.183 9.004 1.00 0.91 O ATOM 211 CB GLU A 330 99.713 -3.314 12.255 1.00 1.28 C ATOM 212 CG GLU A 330 98.892 -4.562 12.584 1.00 1.68 C ATOM 213 CD GLU A 330 99.612 -5.379 13.658 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.717 -5.006 14.018 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.047 -6.364 14.104 1.00 2.49 O ATOM 0 H GLU A 330 97.779 -2.163 13.055 1.00 1.13 H new ATOM 0 HA GLU A 330 99.564 -1.666 10.826 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.671 -3.600 11.821 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.930 -2.758 13.167 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.900 -4.276 12.934 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.752 -5.165 11.687 1.00 1.68 H new ATOM 222 N LYS A 331 97.346 -4.034 10.378 1.00 0.98 N ATOM 223 CA LYS A 331 96.713 -4.807 9.273 1.00 0.92 C ATOM 224 C LYS A 331 96.249 -3.857 8.170 1.00 0.81 C ATOM 225 O LYS A 331 96.373 -4.143 6.998 1.00 0.80 O ATOM 226 CB LYS A 331 95.521 -5.519 9.909 1.00 1.02 C ATOM 227 CG LYS A 331 94.889 -6.456 8.880 1.00 1.49 C ATOM 228 CD LYS A 331 93.673 -7.149 9.496 1.00 2.27 C ATOM 229 CE LYS A 331 93.132 -8.196 8.519 1.00 2.60 C ATOM 230 NZ LYS A 331 93.040 -9.453 9.313 1.00 3.03 N ATOM 0 H LYS A 331 96.916 -4.153 11.295 1.00 0.98 H new ATOM 0 HA LYS A 331 97.405 -5.514 8.815 1.00 0.92 H new ATOM 0 HB2 LYS A 331 95.844 -6.084 10.783 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.788 -4.790 10.253 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.590 -5.893 7.996 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.617 -7.199 8.554 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.950 -7.624 10.437 1.00 2.27 H new ATOM 0 HD3 LYS A 331 92.900 -6.415 9.724 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.157 -7.904 8.128 1.00 2.60 H new ATOM 0 HE3 LYS A 331 93.796 -8.317 7.663 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.676 -10.218 8.710 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.984 -9.710 9.667 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 92.396 -9.309 10.117 1.00 3.03 H new ATOM 244 N THR A 332 95.745 -2.713 8.535 1.00 0.78 N ATOM 245 CA THR A 332 95.309 -1.735 7.500 1.00 0.74 C ATOM 246 C THR A 332 96.484 -1.363 6.594 1.00 0.65 C ATOM 247 O THR A 332 96.365 -1.343 5.384 1.00 0.66 O ATOM 248 CB THR A 332 94.836 -0.513 8.289 1.00 0.77 C ATOM 249 OG1 THR A 332 93.800 -0.899 9.181 1.00 0.90 O ATOM 250 CG2 THR A 332 94.313 0.549 7.321 1.00 0.82 C ATOM 0 H THR A 332 95.616 -2.413 9.501 1.00 0.78 H new ATOM 0 HA THR A 332 94.526 -2.136 6.856 1.00 0.74 H new ATOM 0 HB THR A 332 95.669 -0.102 8.859 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.286 -0.108 9.447 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.976 1.420 7.884 1.00 0.82 H new ATOM 0 HG22 THR A 332 95.110 0.844 6.639 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.479 0.141 6.749 1.00 0.82 H new ATOM 258 N LEU A 333 97.618 -1.058 7.165 1.00 0.59 N ATOM 259 CA LEU A 333 98.785 -0.675 6.321 1.00 0.57 C ATOM 260 C LEU A 333 99.153 -1.802 5.355 1.00 0.58 C ATOM 261 O LEU A 333 99.393 -1.580 4.185 1.00 0.54 O ATOM 262 CB LEU A 333 99.932 -0.437 7.297 1.00 0.68 C ATOM 263 CG LEU A 333 101.224 -0.258 6.501 1.00 0.64 C ATOM 264 CD1 LEU A 333 101.178 1.070 5.745 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.418 -0.260 7.453 1.00 0.87 C ATOM 0 H LEU A 333 97.786 -1.057 8.171 1.00 0.59 H new ATOM 0 HA LEU A 333 98.565 0.205 5.717 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.736 0.448 7.902 1.00 0.68 H new ATOM 0 HB3 LEU A 333 100.025 -1.279 7.983 1.00 0.68 H new ATOM 0 HG LEU A 333 101.326 -1.078 5.790 1.00 0.64 H new ATOM 0 HD11 LEU A 333 102.100 1.198 5.177 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.328 1.071 5.062 1.00 0.93 H new ATOM 0 HD13 LEU A 333 101.073 1.890 6.456 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.338 -0.132 6.883 1.00 0.87 H new ATOM 0 HD22 LEU A 333 102.316 0.558 8.166 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.453 -1.207 7.991 1.00 0.87 H new ATOM 277 N ALA A 334 99.250 -3.003 5.845 1.00 0.66 N ATOM 278 CA ALA A 334 99.666 -4.132 4.968 1.00 0.73 C ATOM 279 C ALA A 334 98.626 -4.363 3.872 1.00 0.68 C ATOM 280 O ALA A 334 98.939 -4.744 2.767 1.00 0.66 O ATOM 281 CB ALA A 334 99.746 -5.345 5.895 1.00 0.87 C ATOM 0 H ALA A 334 99.059 -3.254 6.815 1.00 0.66 H new ATOM 0 HA ALA A 334 100.615 -3.937 4.468 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.048 -6.222 5.322 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.478 -5.155 6.680 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.769 -5.524 6.345 1.00 0.87 H new ATOM 287 N ASP A 335 97.385 -4.177 4.179 1.00 0.67 N ATOM 288 CA ASP A 335 96.334 -4.445 3.162 1.00 0.65 C ATOM 289 C ASP A 335 96.464 -3.487 1.975 1.00 0.62 C ATOM 290 O ASP A 335 96.426 -3.894 0.830 1.00 0.69 O ATOM 291 CB ASP A 335 95.022 -4.201 3.890 1.00 0.67 C ATOM 292 CG ASP A 335 93.853 -4.617 2.998 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.107 -5.164 1.937 1.00 1.96 O ATOM 294 OD2 ASP A 335 92.721 -4.381 3.388 1.00 1.61 O ATOM 0 H ASP A 335 97.047 -3.852 5.085 1.00 0.67 H new ATOM 0 HA ASP A 335 96.408 -5.454 2.757 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.001 -4.767 4.821 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.933 -3.148 4.155 1.00 0.67 H new ATOM 299 N ALA A 336 96.599 -2.216 2.235 1.00 0.60 N ATOM 300 CA ALA A 336 96.703 -1.235 1.116 1.00 0.62 C ATOM 301 C ALA A 336 98.005 -1.438 0.342 1.00 0.51 C ATOM 302 O ALA A 336 98.037 -1.328 -0.865 1.00 0.55 O ATOM 303 CB ALA A 336 96.677 0.139 1.781 1.00 0.76 C ATOM 0 H ALA A 336 96.642 -1.814 3.171 1.00 0.60 H new ATOM 0 HA ALA A 336 95.892 -1.351 0.397 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.750 0.914 1.018 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.744 0.259 2.332 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.518 0.226 2.468 1.00 0.76 H new ATOM 309 N ALA A 337 99.079 -1.743 1.016 1.00 0.46 N ATOM 310 CA ALA A 337 100.364 -1.957 0.285 1.00 0.50 C ATOM 311 C ALA A 337 100.253 -3.179 -0.632 1.00 0.62 C ATOM 312 O ALA A 337 100.857 -3.236 -1.684 1.00 0.72 O ATOM 313 CB ALA A 337 101.421 -2.187 1.368 1.00 0.50 C ATOM 0 H ALA A 337 99.126 -1.853 2.029 1.00 0.46 H new ATOM 0 HA ALA A 337 100.620 -1.107 -0.347 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.392 -2.351 0.900 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.474 -1.312 2.016 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.151 -3.061 1.960 1.00 0.50 H new ATOM 319 N GLN A 338 99.503 -4.169 -0.229 1.00 0.71 N ATOM 320 CA GLN A 338 99.372 -5.399 -1.062 1.00 0.91 C ATOM 321 C GLN A 338 98.565 -5.127 -2.335 1.00 0.94 C ATOM 322 O GLN A 338 98.960 -5.506 -3.419 1.00 1.06 O ATOM 323 CB GLN A 338 98.636 -6.392 -0.170 1.00 1.03 C ATOM 324 CG GLN A 338 99.505 -6.852 1.022 1.00 1.03 C ATOM 325 CD GLN A 338 100.863 -6.114 1.111 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.664 -6.175 0.206 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.159 -5.432 2.183 1.00 0.69 N ATOM 0 H GLN A 338 98.974 -4.179 0.643 1.00 0.71 H new ATOM 0 HA GLN A 338 100.343 -5.769 -1.391 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.720 -5.934 0.204 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.341 -7.260 -0.760 1.00 1.03 H new ATOM 0 HG2 GLN A 338 98.952 -6.694 1.948 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.687 -7.923 0.938 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.491 -5.374 2.951 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.059 -4.956 2.253 1.00 0.69 H new ATOM 336 N LEU A 339 97.405 -4.543 -2.216 1.00 0.86 N ATOM 337 CA LEU A 339 96.568 -4.339 -3.435 1.00 0.90 C ATOM 338 C LEU A 339 97.137 -3.197 -4.288 1.00 0.84 C ATOM 339 O LEU A 339 97.161 -3.272 -5.501 1.00 1.00 O ATOM 340 CB LEU A 339 95.155 -4.012 -2.933 1.00 0.80 C ATOM 341 CG LEU A 339 95.191 -2.895 -1.891 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.541 -1.642 -2.475 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.402 -3.343 -0.656 1.00 1.58 C ATOM 0 H LEU A 339 97.004 -4.202 -1.342 1.00 0.86 H new ATOM 0 HA LEU A 339 96.556 -5.225 -4.070 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.527 -3.712 -3.772 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.703 -4.904 -2.500 1.00 0.80 H new ATOM 0 HG LEU A 339 96.223 -2.678 -1.614 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.564 -0.842 -1.735 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.088 -1.330 -3.365 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.507 -1.859 -2.742 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.421 -2.553 0.094 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.370 -3.550 -0.939 1.00 1.58 H new ATOM 0 HD23 LEU A 339 94.853 -4.246 -0.244 1.00 1.58 H new ATOM 355 N ALA A 340 97.636 -2.167 -3.665 1.00 0.74 N ATOM 356 CA ALA A 340 98.254 -1.050 -4.436 1.00 0.93 C ATOM 357 C ALA A 340 99.565 -1.512 -5.079 1.00 1.36 C ATOM 358 O ALA A 340 100.158 -0.813 -5.877 1.00 2.24 O ATOM 359 CB ALA A 340 98.530 0.033 -3.392 1.00 0.82 C ATOM 0 H ALA A 340 97.643 -2.049 -2.652 1.00 0.74 H new ATOM 0 HA ALA A 340 97.611 -0.696 -5.242 1.00 0.93 H new ATOM 0 HB1 ALA A 340 98.987 0.896 -3.875 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.593 0.334 -2.923 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.207 -0.358 -2.632 1.00 0.82 H new ATOM 365 N SER A 341 100.022 -2.682 -4.730 1.00 1.07 N ATOM 366 CA SER A 341 101.300 -3.193 -5.315 1.00 1.44 C ATOM 367 C SER A 341 101.005 -4.161 -6.463 1.00 1.51 C ATOM 368 O SER A 341 101.880 -4.523 -7.226 1.00 2.65 O ATOM 369 CB SER A 341 102.011 -3.911 -4.164 1.00 2.84 C ATOM 370 OG SER A 341 101.201 -4.982 -3.708 1.00 3.56 O ATOM 0 H SER A 341 99.568 -3.309 -4.065 1.00 1.07 H new ATOM 0 HA SER A 341 101.914 -2.393 -5.728 1.00 1.44 H new ATOM 0 HB2 SER A 341 102.978 -4.288 -4.497 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.204 -3.213 -3.349 1.00 2.84 H new ATOM 0 HG SER A 341 100.314 -4.920 -4.121 1.00 3.56 H new ATOM 376 N LEU A 342 99.789 -4.608 -6.572 1.00 1.19 N ATOM 377 CA LEU A 342 99.443 -5.582 -7.645 1.00 2.40 C ATOM 378 C LEU A 342 99.642 -4.950 -9.027 1.00 2.59 C ATOM 379 O LEU A 342 99.758 -5.637 -10.022 1.00 3.62 O ATOM 380 CB LEU A 342 97.968 -5.908 -7.418 1.00 3.39 C ATOM 381 CG LEU A 342 97.781 -6.467 -6.009 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.336 -6.932 -5.833 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.726 -7.653 -5.802 1.00 3.74 C ATOM 0 H LEU A 342 99.015 -4.341 -5.963 1.00 1.19 H new ATOM 0 HA LEU A 342 100.072 -6.471 -7.611 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.362 -5.011 -7.548 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.627 -6.633 -8.157 1.00 3.39 H new ATOM 0 HG LEU A 342 98.005 -5.691 -5.277 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.202 -7.331 -4.828 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.662 -6.089 -5.981 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.112 -7.709 -6.564 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.593 -8.053 -4.797 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.501 -8.429 -6.534 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.757 -7.323 -5.928 1.00 3.74 H new ATOM 395 N ALA A 343 99.624 -3.645 -9.104 1.00 2.04 N ATOM 396 CA ALA A 343 99.748 -2.973 -10.432 1.00 2.90 C ATOM 397 C ALA A 343 101.220 -2.764 -10.805 1.00 2.34 C ATOM 398 O ALA A 343 101.541 -2.465 -11.937 1.00 2.96 O ATOM 399 CB ALA A 343 99.040 -1.628 -10.268 1.00 3.81 C ATOM 0 H ALA A 343 99.529 -3.016 -8.307 1.00 2.04 H new ATOM 0 HA ALA A 343 99.309 -3.573 -11.230 1.00 2.90 H new ATOM 0 HB1 ALA A 343 99.089 -1.074 -11.206 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.997 -1.796 -10.000 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.529 -1.053 -9.481 1.00 3.81 H new ATOM 405 N ASP A 344 102.120 -2.922 -9.873 1.00 1.46 N ATOM 406 CA ASP A 344 103.563 -2.733 -10.204 1.00 1.77 C ATOM 407 C ASP A 344 104.204 -4.077 -10.566 1.00 1.92 C ATOM 408 O ASP A 344 103.935 -5.090 -9.951 1.00 1.99 O ATOM 409 CB ASP A 344 104.195 -2.149 -8.939 1.00 1.69 C ATOM 410 CG ASP A 344 104.206 -3.200 -7.829 1.00 2.00 C ATOM 411 OD1 ASP A 344 104.861 -4.214 -8.005 1.00 1.89 O ATOM 412 OD2 ASP A 344 103.564 -2.970 -6.817 1.00 2.84 O ATOM 0 H ASP A 344 101.922 -3.172 -8.904 1.00 1.46 H new ATOM 0 HA ASP A 344 103.706 -2.076 -11.062 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.212 -1.819 -9.149 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.636 -1.271 -8.615 1.00 1.69 H new ATOM 460 N GLU A 348 110.216 -6.019 -6.075 1.00 1.76 N ATOM 461 CA GLU A 348 109.980 -5.532 -4.687 1.00 1.64 C ATOM 462 C GLU A 348 108.477 -5.399 -4.424 1.00 1.41 C ATOM 463 O GLU A 348 107.995 -5.689 -3.349 1.00 1.31 O ATOM 464 CB GLU A 348 110.660 -4.164 -4.632 1.00 1.72 C ATOM 465 CG GLU A 348 112.160 -4.331 -4.887 1.00 2.14 C ATOM 466 CD GLU A 348 112.858 -2.977 -4.745 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.162 -1.982 -4.644 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.077 -2.960 -4.742 1.00 2.49 O ATOM 0 HA GLU A 348 110.374 -6.214 -3.933 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.225 -3.499 -5.378 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.495 -3.702 -3.659 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.582 -5.045 -4.180 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.327 -4.735 -5.886 1.00 2.14 H new ATOM 475 N GLY A 349 107.729 -4.993 -5.413 1.00 1.42 N ATOM 476 CA GLY A 349 106.254 -4.875 -5.232 1.00 1.30 C ATOM 477 C GLY A 349 105.673 -6.239 -4.854 1.00 1.23 C ATOM 478 O GLY A 349 104.724 -6.333 -4.102 1.00 1.23 O ATOM 0 H GLY A 349 108.075 -4.738 -6.338 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.030 -4.145 -4.454 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.792 -4.514 -6.151 1.00 1.30 H new ATOM 482 N ARG A 350 106.318 -7.298 -5.258 1.00 1.19 N ATOM 483 CA ARG A 350 105.883 -8.648 -4.795 1.00 1.15 C ATOM 484 C ARG A 350 106.344 -8.871 -3.360 1.00 1.06 C ATOM 485 O ARG A 350 105.639 -9.436 -2.552 1.00 0.94 O ATOM 486 CB ARG A 350 106.566 -9.636 -5.737 1.00 1.18 C ATOM 487 CG ARG A 350 106.376 -9.168 -7.175 1.00 1.81 C ATOM 488 CD ARG A 350 106.964 -10.205 -8.136 1.00 2.33 C ATOM 489 NE ARG A 350 106.115 -11.417 -7.959 1.00 2.77 N ATOM 490 CZ ARG A 350 104.897 -11.440 -8.430 1.00 3.16 C ATOM 491 NH1 ARG A 350 104.412 -10.403 -9.057 1.00 3.46 N ATOM 492 NH2 ARG A 350 104.160 -12.506 -8.272 1.00 3.62 N ATOM 0 H ARG A 350 107.123 -7.289 -5.885 1.00 1.19 H new ATOM 0 HA ARG A 350 104.799 -8.764 -4.810 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.628 -9.707 -5.502 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.144 -10.632 -5.607 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.316 -9.024 -7.384 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.864 -8.204 -7.322 1.00 1.81 H new ATOM 0 HD2 ARG A 350 106.936 -9.850 -9.166 1.00 2.33 H new ATOM 0 HD3 ARG A 350 108.007 -10.415 -7.900 1.00 2.33 H new ATOM 0 HE ARG A 350 106.486 -12.231 -7.469 1.00 2.77 H new ATOM 0 HH11 ARG A 350 104.985 -9.568 -9.182 1.00 3.46 H new ATOM 0 HH12 ARG A 350 103.460 -10.427 -9.422 1.00 3.46 H new ATOM 0 HH21 ARG A 350 104.536 -13.318 -7.782 1.00 3.62 H new ATOM 0 HH22 ARG A 350 103.208 -12.527 -8.639 1.00 3.62 H new ATOM 506 N SER A 351 107.500 -8.386 -3.021 1.00 1.15 N ATOM 507 CA SER A 351 107.969 -8.532 -1.615 1.00 1.10 C ATOM 508 C SER A 351 106.915 -7.966 -0.659 1.00 0.97 C ATOM 509 O SER A 351 106.575 -8.570 0.337 1.00 0.87 O ATOM 510 CB SER A 351 109.259 -7.716 -1.539 1.00 1.25 C ATOM 511 OG SER A 351 110.157 -8.161 -2.548 1.00 2.40 O ATOM 0 H SER A 351 108.139 -7.898 -3.649 1.00 1.15 H new ATOM 0 HA SER A 351 108.134 -9.572 -1.335 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.041 -6.656 -1.672 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.715 -7.827 -0.555 1.00 1.25 H new ATOM 0 HG SER A 351 111.037 -7.755 -2.405 1.00 2.40 H new ATOM 517 N ILE A 352 106.356 -6.833 -0.983 1.00 1.00 N ATOM 518 CA ILE A 352 105.283 -6.250 -0.127 1.00 0.93 C ATOM 519 C ILE A 352 104.016 -7.124 -0.155 1.00 0.80 C ATOM 520 O ILE A 352 103.500 -7.509 0.880 1.00 0.70 O ATOM 521 CB ILE A 352 105.043 -4.866 -0.730 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.115 -3.913 -0.196 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.657 -4.346 -0.347 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.092 -2.611 -0.991 1.00 1.39 C ATOM 0 H ILE A 352 106.597 -6.283 -1.807 1.00 1.00 H new ATOM 0 HA ILE A 352 105.561 -6.193 0.925 1.00 0.93 H new ATOM 0 HB ILE A 352 105.097 -4.929 -1.817 1.00 1.08 H new ATOM 0 HG12 ILE A 352 105.939 -3.708 0.860 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.098 -4.378 -0.271 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.504 -3.360 -0.785 1.00 1.16 H new ATOM 0 HG22 ILE A 352 102.896 -5.031 -0.720 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.582 -4.276 0.738 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.857 -1.936 -0.607 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.290 -2.823 -2.042 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.113 -2.142 -0.893 1.00 1.39 H new ATOM 536 N VAL A 353 103.525 -7.475 -1.317 1.00 0.86 N ATOM 537 CA VAL A 353 102.317 -8.360 -1.372 1.00 0.82 C ATOM 538 C VAL A 353 102.543 -9.624 -0.530 1.00 0.77 C ATOM 539 O VAL A 353 101.661 -10.081 0.172 1.00 0.77 O ATOM 540 CB VAL A 353 102.154 -8.728 -2.850 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.075 -9.805 -2.986 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.733 -7.490 -3.645 1.00 1.10 C ATOM 0 H VAL A 353 103.902 -7.192 -2.222 1.00 0.86 H new ATOM 0 HA VAL A 353 101.431 -7.865 -0.975 1.00 0.82 H new ATOM 0 HB VAL A 353 103.102 -9.103 -3.237 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.956 -10.070 -4.037 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.370 -10.689 -2.420 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.130 -9.424 -2.598 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.618 -7.754 -4.696 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.785 -7.115 -3.259 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.496 -6.718 -3.547 1.00 1.10 H new ATOM 552 N ILE A 354 103.761 -10.074 -0.447 1.00 0.79 N ATOM 553 CA ILE A 354 104.089 -11.176 0.508 1.00 0.84 C ATOM 554 C ILE A 354 103.978 -10.690 1.951 1.00 0.72 C ATOM 555 O ILE A 354 103.514 -11.398 2.816 1.00 0.77 O ATOM 556 CB ILE A 354 105.529 -11.550 0.188 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.624 -12.010 -1.268 1.00 1.21 C ATOM 558 CG2 ILE A 354 105.984 -12.674 1.119 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.087 -11.995 -1.716 1.00 1.36 C ATOM 0 H ILE A 354 104.547 -9.729 -0.998 1.00 0.79 H new ATOM 0 HA ILE A 354 103.407 -12.020 0.408 1.00 0.84 H new ATOM 0 HB ILE A 354 106.173 -10.683 0.333 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.212 -13.014 -1.371 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.031 -11.355 -1.906 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.015 -12.942 0.889 1.00 1.11 H new ATOM 0 HG22 ILE A 354 105.918 -12.338 2.154 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.343 -13.545 0.978 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.153 -12.323 -2.753 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.484 -10.984 -1.629 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.668 -12.668 -1.085 1.00 1.36 H new ATOM 571 N LEU A 355 104.522 -9.549 2.240 1.00 0.63 N ATOM 572 CA LEU A 355 104.577 -9.094 3.661 1.00 0.62 C ATOM 573 C LEU A 355 103.217 -9.278 4.336 1.00 0.55 C ATOM 574 O LEU A 355 103.110 -9.861 5.395 1.00 0.61 O ATOM 575 CB LEU A 355 104.898 -7.609 3.575 1.00 0.64 C ATOM 576 CG LEU A 355 105.139 -7.053 4.982 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.145 -5.903 4.914 1.00 1.14 C ATOM 578 CD2 LEU A 355 103.818 -6.534 5.562 1.00 1.15 C ATOM 0 H LEU A 355 104.932 -8.908 1.560 1.00 0.63 H new ATOM 0 HA LEU A 355 105.308 -9.657 4.241 1.00 0.62 H new ATOM 0 HB2 LEU A 355 105.781 -7.453 2.955 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.075 -7.076 3.098 1.00 0.64 H new ATOM 0 HG LEU A 355 105.532 -7.845 5.619 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.315 -5.509 5.916 1.00 1.14 H new ATOM 0 HD12 LEU A 355 107.086 -6.267 4.503 1.00 1.14 H new ATOM 0 HD13 LEU A 355 105.751 -5.113 4.275 1.00 1.14 H new ATOM 0 HD21 LEU A 355 103.991 -6.139 6.563 1.00 1.15 H new ATOM 0 HD22 LEU A 355 103.425 -5.744 4.922 1.00 1.15 H new ATOM 0 HD23 LEU A 355 103.098 -7.350 5.614 1.00 1.15 H new ATOM 590 N ALA A 356 102.175 -8.796 3.729 1.00 0.52 N ATOM 591 CA ALA A 356 100.829 -8.964 4.345 1.00 0.54 C ATOM 592 C ALA A 356 100.440 -10.445 4.348 1.00 0.53 C ATOM 593 O ALA A 356 99.795 -10.933 5.258 1.00 0.57 O ATOM 594 CB ALA A 356 99.884 -8.153 3.460 1.00 0.61 C ATOM 0 H ALA A 356 102.192 -8.296 2.840 1.00 0.52 H new ATOM 0 HA ALA A 356 100.797 -8.626 5.381 1.00 0.54 H new ATOM 0 HB1 ALA A 356 98.868 -8.226 3.849 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.196 -7.109 3.455 1.00 0.61 H new ATOM 0 HB3 ALA A 356 99.912 -8.544 2.443 1.00 0.61 H new ATOM 755 N ARG A 365 94.122 -8.516 -4.172 1.00 1.36 N ATOM 756 CA ARG A 365 92.736 -8.224 -4.630 1.00 1.73 C ATOM 757 C ARG A 365 92.729 -7.988 -6.139 1.00 1.59 C ATOM 758 O ARG A 365 93.447 -7.151 -6.652 1.00 1.56 O ATOM 759 CB ARG A 365 92.327 -6.954 -3.882 1.00 1.83 C ATOM 760 CG ARG A 365 92.294 -7.235 -2.378 1.00 2.15 C ATOM 761 CD ARG A 365 91.775 -6.000 -1.639 1.00 2.41 C ATOM 762 NE ARG A 365 92.010 -6.290 -0.196 1.00 3.18 N ATOM 763 CZ ARG A 365 91.225 -7.113 0.446 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.228 -7.690 -0.172 1.00 4.16 N ATOM 765 NH2 ARG A 365 91.437 -7.361 1.709 1.00 3.72 N ATOM 0 HA ARG A 365 92.049 -9.046 -4.431 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.031 -6.150 -4.097 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.347 -6.619 -4.222 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.653 -8.092 -2.171 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.292 -7.491 -2.023 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.305 -5.100 -1.953 1.00 2.41 H new ATOM 0 HD3 ARG A 365 90.717 -5.834 -1.841 1.00 2.41 H new ATOM 0 HE ARG A 365 92.787 -5.844 0.292 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.061 -7.498 -1.160 1.00 4.16 H new ATOM 0 HH12 ARG A 365 89.618 -8.332 0.333 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.215 -6.912 2.193 1.00 3.72 H new ATOM 0 HH22 ARG A 365 90.825 -8.003 2.212 1.00 3.72 H new ATOM 779 N ASP A 366 91.938 -8.733 -6.859 1.00 1.70 N ATOM 780 CA ASP A 366 91.903 -8.565 -8.337 1.00 1.93 C ATOM 781 C ASP A 366 91.200 -7.255 -8.696 1.00 2.04 C ATOM 782 O ASP A 366 90.032 -7.069 -8.422 1.00 2.65 O ATOM 783 CB ASP A 366 91.113 -9.766 -8.854 1.00 2.62 C ATOM 784 CG ASP A 366 91.937 -11.041 -8.661 1.00 2.50 C ATOM 785 OD1 ASP A 366 93.107 -10.923 -8.337 1.00 2.50 O ATOM 786 OD2 ASP A 366 91.383 -12.113 -8.842 1.00 2.86 O ATOM 0 H ASP A 366 91.315 -9.450 -6.488 1.00 1.70 H new ATOM 0 HA ASP A 366 92.900 -8.521 -8.776 1.00 1.93 H new ATOM 0 HB2 ASP A 366 90.166 -9.848 -8.321 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.874 -9.631 -9.909 1.00 2.62 H new ATOM 791 N VAL A 367 91.906 -6.351 -9.312 1.00 1.75 N ATOM 792 CA VAL A 367 91.287 -5.053 -9.700 1.00 2.31 C ATOM 793 C VAL A 367 90.249 -5.269 -10.805 1.00 2.53 C ATOM 794 O VAL A 367 89.185 -4.684 -10.795 1.00 3.04 O ATOM 795 CB VAL A 367 92.454 -4.209 -10.210 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.924 -2.933 -10.854 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.375 -3.845 -9.042 1.00 2.52 C ATOM 0 H VAL A 367 92.889 -6.455 -9.565 1.00 1.75 H new ATOM 0 HA VAL A 367 90.765 -4.574 -8.872 1.00 2.31 H new ATOM 0 HB VAL A 367 93.014 -4.782 -10.949 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.760 -2.334 -11.216 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.273 -3.190 -11.689 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.360 -2.361 -10.117 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.207 -3.243 -9.408 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.814 -3.276 -8.300 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.761 -4.756 -8.585 1.00 2.52 H new ATOM 807 N GLN A 368 90.568 -6.078 -11.779 1.00 2.20 N ATOM 808 CA GLN A 368 89.619 -6.299 -12.910 1.00 2.40 C ATOM 809 C GLN A 368 88.431 -7.159 -12.467 1.00 2.11 C ATOM 810 O GLN A 368 87.356 -7.073 -13.026 1.00 2.30 O ATOM 811 CB GLN A 368 90.429 -7.019 -13.985 1.00 2.46 C ATOM 812 CG GLN A 368 89.611 -7.071 -15.277 1.00 3.09 C ATOM 813 CD GLN A 368 90.381 -7.858 -16.339 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.599 -9.044 -16.194 1.00 3.32 O ATOM 815 NE2 GLN A 368 90.806 -7.242 -17.409 1.00 3.69 N ATOM 0 H GLN A 368 91.445 -6.596 -11.841 1.00 2.20 H new ATOM 0 HA GLN A 368 89.204 -5.359 -13.274 1.00 2.40 H new ATOM 0 HB2 GLN A 368 91.371 -6.499 -14.157 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.677 -8.028 -13.656 1.00 2.46 H new ATOM 0 HG2 GLN A 368 88.646 -7.541 -15.090 1.00 3.09 H new ATOM 0 HG3 GLN A 368 89.410 -6.061 -15.633 1.00 3.09 H new ATOM 0 HE21 GLN A 368 90.623 -6.246 -17.531 1.00 3.69 H new ATOM 0 HE22 GLN A 368 91.321 -7.757 -18.123 1.00 3.69 H new ATOM 824 N SER A 369 88.567 -7.874 -11.383 1.00 1.80 N ATOM 825 CA SER A 369 87.383 -8.591 -10.825 1.00 1.87 C ATOM 826 C SER A 369 86.455 -7.585 -10.146 1.00 1.79 C ATOM 827 O SER A 369 85.247 -7.692 -10.225 1.00 2.27 O ATOM 828 CB SER A 369 87.943 -9.589 -9.813 1.00 2.47 C ATOM 829 OG SER A 369 88.358 -8.888 -8.648 1.00 3.05 O ATOM 0 H SER A 369 89.437 -7.993 -10.864 1.00 1.80 H new ATOM 0 HA SER A 369 86.803 -9.101 -11.594 1.00 1.87 H new ATOM 0 HB2 SER A 369 87.185 -10.329 -9.556 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.784 -10.131 -10.245 1.00 2.47 H new ATOM 0 HG SER A 369 88.861 -8.088 -8.909 1.00 3.05 H new ATOM 835 N LEU A 370 87.006 -6.512 -9.653 1.00 1.38 N ATOM 836 CA LEU A 370 86.147 -5.393 -9.177 1.00 1.39 C ATOM 837 C LEU A 370 85.887 -4.420 -10.329 1.00 1.12 C ATOM 838 O LEU A 370 85.362 -3.342 -10.129 1.00 1.30 O ATOM 839 CB LEU A 370 86.957 -4.704 -8.081 1.00 1.54 C ATOM 840 CG LEU A 370 87.326 -5.716 -6.998 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.077 -4.999 -5.875 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.050 -6.347 -6.436 1.00 2.14 C ATOM 0 H LEU A 370 88.010 -6.361 -9.559 1.00 1.38 H new ATOM 0 HA LEU A 370 85.180 -5.739 -8.811 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.860 -4.265 -8.505 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.379 -3.888 -7.647 1.00 1.54 H new ATOM 0 HG LEU A 370 87.959 -6.495 -7.423 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.343 -5.717 -5.099 1.00 1.80 H new ATOM 0 HD12 LEU A 370 88.983 -4.545 -6.275 1.00 1.80 H new ATOM 0 HD13 LEU A 370 87.441 -4.223 -5.449 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.311 -7.070 -5.663 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.418 -5.569 -6.007 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.511 -6.852 -7.237 1.00 2.14 H new ATOM 854 N HIS A 371 86.403 -4.713 -11.493 1.00 1.29 N ATOM 855 CA HIS A 371 86.347 -3.713 -12.593 1.00 1.13 C ATOM 856 C HIS A 371 87.054 -2.440 -12.136 1.00 1.00 C ATOM 857 O HIS A 371 86.775 -1.351 -12.598 1.00 1.35 O ATOM 858 CB HIS A 371 84.863 -3.447 -12.809 1.00 1.54 C ATOM 859 CG HIS A 371 84.125 -4.754 -12.897 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.474 -5.309 -11.806 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.926 -5.627 -13.937 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.920 -6.467 -12.211 1.00 2.10 C ATOM 863 NE2 HIS A 371 83.165 -6.709 -13.502 1.00 1.80 N ATOM 0 H HIS A 371 86.857 -5.596 -11.727 1.00 1.29 H new ATOM 0 HA HIS A 371 86.830 -4.056 -13.508 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.467 -2.849 -11.988 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.715 -2.872 -13.723 1.00 1.54 H new ATOM 0 HD2 HIS A 371 84.302 -5.495 -14.941 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.347 -7.121 -11.570 1.00 2.10 H new ATOM 0 HE2 HIS A 371 82.860 -7.513 -14.051 1.00 1.80 H new ATOM 871 N ALA A 372 87.983 -2.587 -11.239 1.00 0.75 N ATOM 872 CA ALA A 372 88.747 -1.410 -10.740 1.00 0.94 C ATOM 873 C ALA A 372 89.941 -1.130 -11.650 1.00 0.90 C ATOM 874 O ALA A 372 89.987 -1.553 -12.788 1.00 1.04 O ATOM 875 CB ALA A 372 89.219 -1.801 -9.337 1.00 1.12 C ATOM 0 H ALA A 372 88.250 -3.480 -10.825 1.00 0.75 H new ATOM 0 HA ALA A 372 88.141 -0.504 -10.725 1.00 0.94 H new ATOM 0 HB1 ALA A 372 89.791 -0.981 -8.904 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.354 -2.012 -8.708 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.848 -2.689 -9.399 1.00 1.12 H new ATOM 881 N THR A 373 90.877 -0.368 -11.169 1.00 0.85 N ATOM 882 CA THR A 373 92.048 0.012 -12.014 1.00 0.95 C ATOM 883 C THR A 373 93.366 -0.255 -11.285 1.00 0.93 C ATOM 884 O THR A 373 93.527 0.088 -10.135 1.00 0.95 O ATOM 885 CB THR A 373 91.887 1.510 -12.251 1.00 1.32 C ATOM 886 OG1 THR A 373 90.806 1.741 -13.142 1.00 2.11 O ATOM 887 CG2 THR A 373 93.179 2.085 -12.834 1.00 1.90 C ATOM 0 H THR A 373 90.886 0.012 -10.223 1.00 0.85 H new ATOM 0 HA THR A 373 92.077 -0.565 -12.939 1.00 0.95 H new ATOM 0 HB THR A 373 91.677 2.003 -11.302 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.705 2.704 -13.290 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.058 3.155 -13.001 1.00 1.90 H new ATOM 0 HG22 THR A 373 93.999 1.917 -12.136 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.402 1.593 -13.781 1.00 1.90 H new ATOM 895 N PHE A 374 94.359 -0.686 -12.004 1.00 1.01 N ATOM 896 CA PHE A 374 95.732 -0.768 -11.418 1.00 1.25 C ATOM 897 C PHE A 374 96.469 0.557 -11.660 1.00 1.63 C ATOM 898 O PHE A 374 96.283 1.194 -12.677 1.00 1.61 O ATOM 899 CB PHE A 374 96.436 -1.887 -12.193 1.00 1.33 C ATOM 900 CG PHE A 374 95.956 -3.247 -11.737 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.197 -3.681 -10.425 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.287 -4.089 -12.639 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.768 -4.951 -10.015 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.862 -5.360 -12.230 1.00 3.09 C ATOM 905 CZ PHE A 374 95.101 -5.791 -10.918 1.00 2.72 C ATOM 0 H PHE A 374 94.285 -0.987 -12.976 1.00 1.01 H new ATOM 0 HA PHE A 374 95.711 -0.959 -10.345 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.247 -1.770 -13.260 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.514 -1.811 -12.050 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.714 -3.036 -9.730 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.100 -3.757 -13.649 1.00 2.53 H new ATOM 0 HE1 PHE A 374 95.951 -5.282 -9.004 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.350 -6.008 -12.926 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.771 -6.770 -10.603 1.00 2.72 H new ATOM 915 N VAL A 375 97.384 0.917 -10.804 1.00 2.14 N ATOM 916 CA VAL A 375 98.216 2.128 -11.078 1.00 2.61 C ATOM 917 C VAL A 375 99.689 1.728 -11.215 1.00 2.22 C ATOM 918 O VAL A 375 100.300 1.294 -10.260 1.00 1.65 O ATOM 919 CB VAL A 375 98.020 3.042 -9.869 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.611 4.420 -10.170 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.526 3.187 -9.570 1.00 3.65 C ATOM 0 H VAL A 375 97.593 0.431 -9.932 1.00 2.14 H new ATOM 0 HA VAL A 375 97.927 2.623 -12.005 1.00 2.61 H new ATOM 0 HB VAL A 375 98.523 2.608 -9.005 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.471 5.072 -9.308 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.676 4.321 -10.381 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.108 4.850 -11.036 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.389 3.839 -8.707 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.022 3.619 -10.435 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.101 2.207 -9.354 1.00 3.65 H new ATOM 931 N PRO A 376 100.186 1.822 -12.420 1.00 2.87 N ATOM 932 CA PRO A 376 101.575 1.387 -12.714 1.00 2.67 C ATOM 933 C PRO A 376 102.580 2.109 -11.809 1.00 2.48 C ATOM 934 O PRO A 376 102.356 3.219 -11.370 1.00 3.24 O ATOM 935 CB PRO A 376 101.792 1.771 -14.180 1.00 3.84 C ATOM 936 CG PRO A 376 100.640 2.656 -14.550 1.00 4.63 C ATOM 937 CD PRO A 376 99.511 2.339 -13.610 1.00 4.03 C ATOM 0 HA PRO A 376 101.720 0.321 -12.536 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.741 2.291 -14.311 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.823 0.885 -14.815 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.922 3.706 -14.471 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.339 2.483 -15.583 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.919 3.225 -13.381 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.830 1.602 -14.036 1.00 4.03 H new ATOM 945 N PHE A 377 103.700 1.488 -11.554 1.00 2.13 N ATOM 946 CA PHE A 377 104.748 2.130 -10.707 1.00 3.07 C ATOM 947 C PHE A 377 105.798 2.804 -11.595 1.00 3.61 C ATOM 948 O PHE A 377 106.461 2.163 -12.386 1.00 4.10 O ATOM 949 CB PHE A 377 105.372 0.966 -9.925 1.00 3.15 C ATOM 950 CG PHE A 377 106.493 1.463 -9.034 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.676 2.838 -8.822 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.360 0.543 -8.426 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.719 3.291 -8.006 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.406 0.997 -7.610 1.00 5.70 C ATOM 955 CZ PHE A 377 108.584 2.372 -7.402 1.00 5.79 C ATOM 0 H PHE A 377 103.936 0.557 -11.898 1.00 2.13 H new ATOM 0 HA PHE A 377 104.346 2.901 -10.050 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.609 0.477 -9.320 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.756 0.219 -10.619 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.010 3.548 -9.290 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.222 -0.516 -8.587 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.856 4.350 -7.843 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.074 0.288 -7.142 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.390 2.722 -6.775 1.00 5.79 H new ATOM 965 N THR A 378 105.998 4.082 -11.423 1.00 3.85 N ATOM 966 CA THR A 378 107.057 4.783 -12.203 1.00 4.47 C ATOM 967 C THR A 378 108.177 5.235 -11.265 1.00 4.28 C ATOM 968 O THR A 378 107.933 5.639 -10.145 1.00 3.71 O ATOM 969 CB THR A 378 106.358 5.991 -12.827 1.00 4.59 C ATOM 970 OG1 THR A 378 106.069 6.943 -11.813 1.00 4.26 O ATOM 971 CG2 THR A 378 105.060 5.542 -13.497 1.00 5.29 C ATOM 0 H THR A 378 105.474 4.671 -10.776 1.00 3.85 H new ATOM 0 HA THR A 378 107.510 4.143 -12.961 1.00 4.47 H new ATOM 0 HB THR A 378 107.009 6.444 -13.575 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.486 7.641 -12.177 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.563 6.404 -13.941 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.285 4.812 -14.275 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.405 5.089 -12.753 1.00 5.29 H new ATOM 979 N ALA A 379 109.402 5.134 -11.704 1.00 5.01 N ATOM 980 CA ALA A 379 110.547 5.519 -10.829 1.00 5.10 C ATOM 981 C ALA A 379 110.667 7.042 -10.741 1.00 5.05 C ATOM 982 O ALA A 379 111.159 7.578 -9.767 1.00 5.37 O ATOM 983 CB ALA A 379 111.780 4.924 -11.508 1.00 6.13 C ATOM 0 H ALA A 379 109.660 4.801 -12.633 1.00 5.01 H new ATOM 0 HA ALA A 379 110.424 5.155 -9.809 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.668 5.164 -10.924 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.671 3.842 -11.576 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.881 5.342 -12.510 1.00 6.13 H new ATOM 989 N GLN A 380 110.280 7.742 -11.774 1.00 4.87 N ATOM 990 CA GLN A 380 110.445 9.225 -11.762 1.00 4.93 C ATOM 991 C GLN A 380 109.694 9.825 -10.571 1.00 4.05 C ATOM 992 O GLN A 380 110.254 10.552 -9.775 1.00 3.84 O ATOM 993 CB GLN A 380 109.831 9.702 -13.078 1.00 5.65 C ATOM 994 CG GLN A 380 110.632 9.132 -14.251 1.00 6.07 C ATOM 995 CD GLN A 380 110.085 9.693 -15.564 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.357 10.825 -15.916 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.321 8.945 -16.312 1.00 7.22 N ATOM 0 H GLN A 380 109.860 7.355 -12.619 1.00 4.87 H new ATOM 0 HA GLN A 380 111.488 9.526 -11.668 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.791 9.381 -13.144 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.832 10.791 -13.118 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.686 9.389 -14.144 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.568 8.044 -14.254 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.092 7.995 -16.018 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.953 9.310 -17.190 1.00 7.22 H new ATOM 1006 N SER A 381 108.473 9.416 -10.368 1.00 3.64 N ATOM 1007 CA SER A 381 107.740 9.843 -9.142 1.00 3.06 C ATOM 1008 C SER A 381 107.974 8.826 -8.026 1.00 2.42 C ATOM 1009 O SER A 381 107.651 9.062 -6.880 1.00 3.00 O ATOM 1010 CB SER A 381 106.268 9.869 -9.550 1.00 3.49 C ATOM 1011 OG SER A 381 105.780 8.536 -9.631 1.00 3.82 O ATOM 0 H SER A 381 107.951 8.805 -10.996 1.00 3.64 H new ATOM 0 HA SER A 381 108.071 10.813 -8.770 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.687 10.438 -8.824 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.154 10.369 -10.512 1.00 3.49 H new ATOM 0 HG SER A 381 106.094 8.123 -10.462 1.00 3.82 H new ATOM 1017 N ARG A 382 108.522 7.690 -8.359 1.00 1.65 N ATOM 1018 CA ARG A 382 108.758 6.647 -7.324 1.00 1.74 C ATOM 1019 C ARG A 382 107.443 6.303 -6.628 1.00 1.57 C ATOM 1020 O ARG A 382 107.339 6.372 -5.421 1.00 2.08 O ATOM 1021 CB ARG A 382 109.729 7.286 -6.331 1.00 2.53 C ATOM 1022 CG ARG A 382 110.967 7.786 -7.074 1.00 2.69 C ATOM 1023 CD ARG A 382 112.007 8.275 -6.065 1.00 2.89 C ATOM 1024 NE ARG A 382 113.055 8.943 -6.886 1.00 3.36 N ATOM 1025 CZ ARG A 382 113.922 8.229 -7.555 1.00 3.67 C ATOM 1026 NH1 ARG A 382 113.878 6.924 -7.506 1.00 3.72 N ATOM 1027 NH2 ARG A 382 114.836 8.821 -8.274 1.00 4.25 N ATOM 0 H ARG A 382 108.816 7.440 -9.303 1.00 1.65 H new ATOM 0 HA ARG A 382 109.155 5.724 -7.747 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.244 8.114 -5.814 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.017 6.560 -5.571 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.386 6.986 -7.684 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.695 8.595 -7.752 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.566 8.968 -5.348 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.423 7.445 -5.493 1.00 2.89 H new ATOM 0 HE ARG A 382 113.096 9.961 -6.926 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.165 6.458 -6.944 1.00 3.72 H new ATOM 0 HH12 ARG A 382 114.556 6.371 -8.030 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.873 9.840 -8.313 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.513 8.265 -8.796 1.00 4.25 H new ATOM 1041 N MET A 383 106.430 5.948 -7.373 1.00 1.27 N ATOM 1042 CA MET A 383 105.130 5.622 -6.725 1.00 1.19 C ATOM 1043 C MET A 383 104.305 4.660 -7.578 1.00 1.07 C ATOM 1044 O MET A 383 104.333 4.695 -8.793 1.00 1.14 O ATOM 1045 CB MET A 383 104.400 6.955 -6.574 1.00 1.32 C ATOM 1046 CG MET A 383 105.097 7.808 -5.514 1.00 1.51 C ATOM 1047 SD MET A 383 104.060 9.237 -5.119 1.00 2.09 S ATOM 1048 CE MET A 383 103.751 9.763 -6.821 1.00 1.57 C ATOM 0 H MET A 383 106.447 5.871 -8.390 1.00 1.27 H new ATOM 0 HA MET A 383 105.285 5.127 -5.766 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.386 7.483 -7.528 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.362 6.782 -6.290 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.278 7.217 -4.616 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.069 8.139 -5.879 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.506 10.825 -6.835 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.642 9.588 -7.423 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.918 9.193 -7.232 1.00 1.57 H new ATOM 1058 N SER A 384 103.498 3.878 -6.928 1.00 0.97 N ATOM 1059 CA SER A 384 102.556 2.969 -7.632 1.00 1.02 C ATOM 1060 C SER A 384 101.319 2.801 -6.755 1.00 0.93 C ATOM 1061 O SER A 384 101.294 3.259 -5.635 1.00 0.83 O ATOM 1062 CB SER A 384 103.305 1.647 -7.760 1.00 1.23 C ATOM 1063 OG SER A 384 103.260 0.959 -6.517 1.00 1.18 O ATOM 0 H SER A 384 103.450 3.829 -5.910 1.00 0.97 H new ATOM 0 HA SER A 384 102.238 3.339 -8.607 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.856 1.036 -8.543 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.340 1.829 -8.051 1.00 1.23 H new ATOM 0 HG SER A 384 103.739 0.108 -6.597 1.00 1.18 H new ATOM 1069 N GLY A 385 100.309 2.132 -7.218 1.00 1.02 N ATOM 1070 CA GLY A 385 99.121 1.940 -6.342 1.00 1.00 C ATOM 1071 C GLY A 385 97.963 1.358 -7.137 1.00 0.95 C ATOM 1072 O GLY A 385 98.137 0.584 -8.057 1.00 1.13 O ATOM 0 H GLY A 385 100.249 1.715 -8.147 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.374 1.275 -5.516 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.826 2.894 -5.904 1.00 1.00 H new ATOM 1076 N ILE A 386 96.779 1.677 -6.727 1.00 0.80 N ATOM 1077 CA ILE A 386 95.573 1.107 -7.369 1.00 0.78 C ATOM 1078 C ILE A 386 94.426 2.098 -7.232 1.00 0.77 C ATOM 1079 O ILE A 386 94.321 2.801 -6.251 1.00 0.80 O ATOM 1080 CB ILE A 386 95.296 -0.151 -6.562 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.037 -0.851 -7.060 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.100 0.232 -5.102 1.00 0.84 C ATOM 1083 CD1 ILE A 386 93.848 -2.118 -6.230 1.00 1.26 C ATOM 0 H ILE A 386 96.590 2.321 -5.959 1.00 0.80 H new ATOM 0 HA ILE A 386 95.695 0.897 -8.432 1.00 0.78 H new ATOM 0 HB ILE A 386 96.142 -0.830 -6.673 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.171 -0.196 -6.960 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.130 -1.098 -8.118 1.00 0.86 H new ATOM 0 HG21 ILE A 386 94.901 -0.664 -4.514 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.002 0.717 -4.729 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.257 0.918 -5.016 1.00 0.84 H new ATOM 0 HD11 ILE A 386 92.952 -2.642 -6.564 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.715 -2.767 -6.354 1.00 1.26 H new ATOM 0 HD13 ILE A 386 93.741 -1.852 -5.178 1.00 1.26 H new ATOM 1095 N ASN A 387 93.496 2.060 -8.124 1.00 0.78 N ATOM 1096 CA ASN A 387 92.278 2.889 -7.938 1.00 0.83 C ATOM 1097 C ASN A 387 91.050 2.002 -8.063 1.00 0.92 C ATOM 1098 O ASN A 387 90.793 1.437 -9.101 1.00 0.86 O ATOM 1099 CB ASN A 387 92.308 3.917 -9.063 1.00 0.91 C ATOM 1100 CG ASN A 387 93.652 4.637 -9.049 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.296 4.748 -7.924 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 94.123 5.099 -10.071 1.00 1.81 N flip ATOM 0 H ASN A 387 93.519 1.496 -8.973 1.00 0.78 H new ATOM 0 HA ASN A 387 92.245 3.372 -6.961 1.00 0.83 H new ATOM 0 HB2 ASN A 387 92.155 3.426 -10.024 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.497 4.634 -8.938 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.616 5.011 -10.952 1.00 1.81 H new ATOM 0 HD22 ASN A 387 95.025 5.575 -10.047 1.00 1.81 H new ATOM 1109 N ILE A 388 90.427 1.701 -6.973 1.00 1.18 N ATOM 1110 CA ILE A 388 89.384 0.648 -7.001 1.00 1.31 C ATOM 1111 C ILE A 388 88.024 1.289 -6.749 1.00 1.70 C ATOM 1112 O ILE A 388 87.945 2.432 -6.350 1.00 1.89 O ATOM 1113 CB ILE A 388 89.799 -0.305 -5.878 1.00 1.24 C ATOM 1114 CG1 ILE A 388 89.076 -1.654 -6.007 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.501 0.327 -4.525 1.00 1.50 C ATOM 1116 CD1 ILE A 388 87.581 -1.495 -5.738 1.00 2.11 C ATOM 0 H ILE A 388 90.590 2.134 -6.064 1.00 1.18 H new ATOM 0 HA ILE A 388 89.298 0.122 -7.952 1.00 1.31 H new ATOM 0 HB ILE A 388 90.871 -0.487 -5.959 1.00 1.24 H new ATOM 0 HG12 ILE A 388 89.229 -2.060 -7.007 1.00 1.66 H new ATOM 0 HG13 ILE A 388 89.503 -2.369 -5.304 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.799 -0.357 -3.730 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.057 1.259 -4.429 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.433 0.532 -4.446 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.089 -2.463 -5.835 1.00 2.11 H new ATOM 0 HD12 ILE A 388 87.432 -1.111 -4.729 1.00 2.11 H new ATOM 0 HD13 ILE A 388 87.154 -0.797 -6.458 1.00 2.11 H new ATOM 1128 N ASP A 389 86.978 0.668 -7.204 1.00 1.97 N ATOM 1129 CA ASP A 389 85.658 1.369 -7.256 1.00 2.37 C ATOM 1130 C ASP A 389 85.115 1.768 -5.864 1.00 2.14 C ATOM 1131 O ASP A 389 84.050 2.346 -5.768 1.00 2.92 O ATOM 1132 CB ASP A 389 84.721 0.352 -7.903 1.00 2.65 C ATOM 1133 CG ASP A 389 85.119 0.147 -9.365 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.921 0.926 -9.855 1.00 3.85 O ATOM 1135 OD2 ASP A 389 84.617 -0.785 -9.971 1.00 3.63 O ATOM 0 H ASP A 389 86.973 -0.294 -7.543 1.00 1.97 H new ATOM 0 HA ASP A 389 85.746 2.308 -7.803 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.769 -0.595 -7.366 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.690 0.701 -7.841 1.00 2.65 H new ATOM 1140 N ASN A 390 85.877 1.620 -4.811 1.00 1.20 N ATOM 1141 CA ASN A 390 85.429 2.165 -3.496 1.00 1.12 C ATOM 1142 C ASN A 390 86.605 2.803 -2.731 1.00 0.97 C ATOM 1143 O ASN A 390 86.468 3.175 -1.582 1.00 1.15 O ATOM 1144 CB ASN A 390 84.891 0.955 -2.732 1.00 1.13 C ATOM 1145 CG ASN A 390 84.041 1.432 -1.553 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.920 2.617 -1.317 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.441 0.551 -0.800 1.00 1.89 N ATOM 0 H ASN A 390 86.782 1.150 -4.805 1.00 1.20 H new ATOM 0 HA ASN A 390 84.680 2.947 -3.617 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.294 0.329 -3.395 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.717 0.341 -2.373 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.870 0.858 -0.012 1.00 1.89 H new ATOM 0 HD22 ASN A 390 83.543 -0.444 -0.999 1.00 1.89 H new ATOM 1154 N ARG A 391 87.786 2.815 -3.301 1.00 0.83 N ATOM 1155 CA ARG A 391 88.978 3.290 -2.538 1.00 0.73 C ATOM 1156 C ARG A 391 90.092 3.732 -3.490 1.00 0.74 C ATOM 1157 O ARG A 391 90.205 3.239 -4.591 1.00 1.10 O ATOM 1158 CB ARG A 391 89.438 2.080 -1.718 1.00 0.94 C ATOM 1159 CG ARG A 391 88.402 1.759 -0.638 1.00 1.05 C ATOM 1160 CD ARG A 391 88.954 0.674 0.290 1.00 1.30 C ATOM 1161 NE ARG A 391 89.253 -0.479 -0.603 1.00 1.92 N ATOM 1162 CZ ARG A 391 89.870 -1.532 -0.135 1.00 2.13 C ATOM 1163 NH1 ARG A 391 90.232 -1.580 1.120 1.00 2.15 N ATOM 1164 NH2 ARG A 391 90.127 -2.539 -0.924 1.00 2.69 N ATOM 0 H ARG A 391 87.974 2.517 -4.258 1.00 0.83 H new ATOM 0 HA ARG A 391 88.737 4.149 -1.911 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.575 1.218 -2.371 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.404 2.288 -1.258 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.166 2.657 -0.066 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.473 1.421 -1.098 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.850 1.016 0.808 1.00 1.30 H new ATOM 0 HD3 ARG A 391 88.228 0.402 1.056 1.00 1.30 H new ATOM 0 HE ARG A 391 88.975 -0.447 -1.584 1.00 1.92 H new ATOM 0 HH11 ARG A 391 90.033 -0.794 1.739 1.00 2.15 H new ATOM 0 HH12 ARG A 391 90.713 -2.404 1.481 1.00 2.15 H new ATOM 0 HH21 ARG A 391 89.847 -2.504 -1.904 1.00 2.69 H new ATOM 0 HH22 ARG A 391 90.608 -3.362 -0.561 1.00 2.69 H new ATOM 1178 N MET A 392 91.037 4.480 -2.993 1.00 0.48 N ATOM 1179 CA MET A 392 92.272 4.736 -3.788 1.00 0.51 C ATOM 1180 C MET A 392 93.502 4.446 -2.926 1.00 0.48 C ATOM 1181 O MET A 392 93.549 4.801 -1.765 1.00 0.52 O ATOM 1182 CB MET A 392 92.208 6.216 -4.165 1.00 0.59 C ATOM 1183 CG MET A 392 90.965 6.472 -5.020 1.00 1.14 C ATOM 1184 SD MET A 392 90.993 8.175 -5.631 1.00 1.31 S ATOM 1185 CE MET A 392 92.304 7.954 -6.857 1.00 2.02 C ATOM 0 H MET A 392 91.009 4.924 -2.075 1.00 0.48 H new ATOM 0 HA MET A 392 92.341 4.104 -4.673 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.176 6.830 -3.265 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.105 6.501 -4.714 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.936 5.774 -5.857 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.064 6.300 -4.431 1.00 1.14 H new ATOM 0 HE1 MET A 392 91.993 8.392 -7.805 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.213 8.446 -6.511 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.498 6.890 -6.995 1.00 2.02 H new ATOM 1195 N ILE A 393 94.518 3.844 -3.486 1.00 0.45 N ATOM 1196 CA ILE A 393 95.750 3.591 -2.686 1.00 0.45 C ATOM 1197 C ILE A 393 96.984 4.052 -3.463 1.00 0.50 C ATOM 1198 O ILE A 393 97.136 3.752 -4.629 1.00 0.60 O ATOM 1199 CB ILE A 393 95.782 2.076 -2.461 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.436 1.613 -1.898 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.890 1.735 -1.464 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.141 2.358 -0.596 1.00 1.68 C ATOM 0 H ILE A 393 94.548 3.520 -4.453 1.00 0.45 H new ATOM 0 HA ILE A 393 95.749 4.136 -1.742 1.00 0.45 H new ATOM 0 HB ILE A 393 95.973 1.573 -3.409 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.644 1.799 -2.623 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.456 0.538 -1.717 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.915 0.657 -1.302 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.850 2.065 -1.861 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.696 2.240 -0.518 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.182 2.027 -0.197 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.928 2.149 0.129 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.102 3.430 -0.791 1.00 1.68 H new ATOM 1214 N ARG A 394 97.914 4.687 -2.803 1.00 0.63 N ATOM 1215 CA ARG A 394 99.187 5.055 -3.486 1.00 0.72 C ATOM 1216 C ARG A 394 100.372 4.822 -2.543 1.00 0.60 C ATOM 1217 O ARG A 394 100.274 5.006 -1.349 1.00 0.54 O ATOM 1218 CB ARG A 394 99.051 6.539 -3.824 1.00 0.78 C ATOM 1219 CG ARG A 394 100.085 6.921 -4.884 1.00 1.27 C ATOM 1220 CD ARG A 394 99.604 6.450 -6.258 1.00 1.04 C ATOM 1221 NE ARG A 394 100.718 6.782 -7.190 1.00 1.47 N ATOM 1222 CZ ARG A 394 100.496 6.894 -8.473 1.00 1.92 C ATOM 1223 NH1 ARG A 394 99.293 6.715 -8.952 1.00 2.78 N ATOM 1224 NH2 ARG A 394 101.480 7.181 -9.280 1.00 2.09 N ATOM 0 H ARG A 394 97.848 4.966 -1.824 1.00 0.63 H new ATOM 0 HA ARG A 394 99.365 4.456 -4.379 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.046 6.748 -4.190 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.195 7.141 -2.927 1.00 0.78 H new ATOM 0 HG2 ARG A 394 100.234 8.001 -4.889 1.00 1.27 H new ATOM 0 HG3 ARG A 394 101.048 6.467 -4.649 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.395 5.380 -6.258 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.683 6.955 -6.548 1.00 1.04 H new ATOM 0 HE ARG A 394 101.660 6.923 -6.824 1.00 1.47 H new ATOM 0 HH11 ARG A 394 98.523 6.487 -8.324 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.125 6.804 -9.954 1.00 2.78 H new ATOM 0 HH21 ARG A 394 102.420 7.317 -8.909 1.00 2.09 H new ATOM 0 HH22 ARG A 394 101.309 7.269 -10.282 1.00 2.09 H new ATOM 1238 N LYS A 395 101.477 4.383 -3.073 1.00 0.63 N ATOM 1239 CA LYS A 395 102.665 4.090 -2.220 1.00 0.58 C ATOM 1240 C LYS A 395 103.949 4.395 -2.993 1.00 0.60 C ATOM 1241 O LYS A 395 104.010 4.218 -4.189 1.00 0.68 O ATOM 1242 CB LYS A 395 102.574 2.596 -1.922 1.00 0.72 C ATOM 1243 CG LYS A 395 103.609 2.221 -0.861 1.00 0.80 C ATOM 1244 CD LYS A 395 104.910 1.811 -1.548 1.00 1.11 C ATOM 1245 CE LYS A 395 104.674 0.545 -2.373 1.00 1.15 C ATOM 1246 NZ LYS A 395 105.992 -0.145 -2.390 1.00 1.57 N ATOM 0 H LYS A 395 101.611 4.212 -4.070 1.00 0.63 H new ATOM 0 HA LYS A 395 102.682 4.691 -1.311 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.573 2.345 -1.572 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.747 2.022 -2.832 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.786 3.065 -0.195 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.236 1.403 -0.245 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.263 2.617 -2.192 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.686 1.634 -0.804 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.904 -0.083 -1.924 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.340 0.786 -3.382 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 105.889 -1.080 -2.834 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.674 0.423 -2.932 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.336 -0.261 -1.415 1.00 1.57 H new ATOM 1260 N GLY A 396 104.985 4.813 -2.324 1.00 0.56 N ATOM 1261 CA GLY A 396 106.265 5.078 -3.045 1.00 0.60 C ATOM 1262 C GLY A 396 107.272 5.742 -2.108 1.00 0.55 C ATOM 1263 O GLY A 396 107.316 5.461 -0.928 1.00 0.82 O ATOM 0 H GLY A 396 105.005 4.982 -1.318 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.675 4.143 -3.428 1.00 0.60 H new ATOM 0 HA3 GLY A 396 106.080 5.721 -3.905 1.00 0.60 H new ATOM 1267 N SER A 397 108.111 6.597 -2.634 1.00 0.50 N ATOM 1268 CA SER A 397 109.146 7.242 -1.779 1.00 0.60 C ATOM 1269 C SER A 397 108.502 8.227 -0.803 1.00 0.48 C ATOM 1270 O SER A 397 107.426 8.740 -1.036 1.00 0.61 O ATOM 1271 CB SER A 397 110.094 7.957 -2.742 1.00 0.91 C ATOM 1272 OG SER A 397 111.064 7.033 -3.217 1.00 1.17 O ATOM 0 H SER A 397 108.123 6.874 -3.616 1.00 0.50 H new ATOM 0 HA SER A 397 109.680 6.512 -1.171 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.534 8.376 -3.578 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.584 8.790 -2.237 1.00 0.91 H new ATOM 0 HG SER A 397 111.939 7.472 -3.263 1.00 1.17 H new ATOM 1278 N VAL A 398 109.121 8.436 0.327 1.00 0.53 N ATOM 1279 CA VAL A 398 108.506 9.316 1.360 1.00 0.47 C ATOM 1280 C VAL A 398 108.305 10.721 0.797 1.00 0.51 C ATOM 1281 O VAL A 398 107.211 11.243 0.798 1.00 0.51 O ATOM 1282 CB VAL A 398 109.508 9.335 2.512 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.002 10.270 3.611 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.659 7.920 3.071 1.00 0.51 C ATOM 0 H VAL A 398 110.025 8.036 0.579 1.00 0.53 H new ATOM 0 HA VAL A 398 107.527 8.959 1.681 1.00 0.47 H new ATOM 0 HB VAL A 398 110.474 9.690 2.153 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.717 10.284 4.434 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.891 11.277 3.209 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.037 9.916 3.974 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.374 7.928 3.894 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.693 7.567 3.432 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.018 7.255 2.286 1.00 0.51 H new ATOM 1294 N ASP A 399 109.310 11.271 0.179 1.00 0.55 N ATOM 1295 CA ASP A 399 109.108 12.559 -0.534 1.00 0.62 C ATOM 1296 C ASP A 399 108.049 12.367 -1.617 1.00 0.64 C ATOM 1297 O ASP A 399 107.213 13.215 -1.850 1.00 0.64 O ATOM 1298 CB ASP A 399 110.466 12.888 -1.157 1.00 0.71 C ATOM 1299 CG ASP A 399 111.478 13.183 -0.049 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.056 13.346 1.084 1.00 1.59 O ATOM 1301 OD2 ASP A 399 112.659 13.239 -0.351 1.00 1.46 O ATOM 0 H ASP A 399 110.255 10.888 0.137 1.00 0.55 H new ATOM 0 HA ASP A 399 108.768 13.360 0.122 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.811 12.052 -1.766 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.375 13.749 -1.820 1.00 0.71 H new ATOM 1306 N ALA A 400 108.072 11.238 -2.267 1.00 0.70 N ATOM 1307 CA ALA A 400 107.063 10.961 -3.326 1.00 0.76 C ATOM 1308 C ALA A 400 105.646 10.959 -2.738 1.00 0.72 C ATOM 1309 O ALA A 400 104.749 11.589 -3.262 1.00 0.75 O ATOM 1310 CB ALA A 400 107.433 9.573 -3.853 1.00 0.85 C ATOM 0 H ALA A 400 108.749 10.492 -2.110 1.00 0.70 H new ATOM 0 HA ALA A 400 107.067 11.717 -4.111 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.738 9.286 -4.642 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.447 9.594 -4.253 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.379 8.849 -3.040 1.00 0.85 H new ATOM 1316 N ILE A 401 105.422 10.241 -1.669 1.00 0.67 N ATOM 1317 CA ILE A 401 104.045 10.194 -1.092 1.00 0.66 C ATOM 1318 C ILE A 401 103.610 11.577 -0.602 1.00 0.59 C ATOM 1319 O ILE A 401 102.487 11.986 -0.805 1.00 0.64 O ATOM 1320 CB ILE A 401 104.132 9.210 0.074 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.521 7.827 -0.454 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.775 9.126 0.772 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.653 7.474 -1.664 1.00 0.62 C ATOM 0 H ILE A 401 106.124 9.690 -1.174 1.00 0.67 H new ATOM 0 HA ILE A 401 103.307 9.885 -1.832 1.00 0.66 H new ATOM 0 HB ILE A 401 104.885 9.553 0.784 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.574 7.817 -0.735 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.393 7.079 0.328 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.837 8.424 1.604 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.498 10.111 1.148 1.00 0.68 H new ATOM 0 HG23 ILE A 401 102.022 8.783 0.063 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.933 6.489 -2.037 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.604 7.466 -1.369 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.804 8.216 -2.449 1.00 0.62 H new ATOM 1335 N ARG A 402 104.491 12.316 0.011 1.00 0.50 N ATOM 1336 CA ARG A 402 104.113 13.683 0.470 1.00 0.47 C ATOM 1337 C ARG A 402 103.641 14.525 -0.721 1.00 0.54 C ATOM 1338 O ARG A 402 102.668 15.244 -0.636 1.00 0.62 O ATOM 1339 CB ARG A 402 105.389 14.267 1.075 1.00 0.44 C ATOM 1340 CG ARG A 402 105.081 15.628 1.704 1.00 1.17 C ATOM 1341 CD ARG A 402 106.367 16.235 2.266 1.00 1.24 C ATOM 1342 NE ARG A 402 106.823 15.270 3.305 1.00 1.71 N ATOM 1343 CZ ARG A 402 108.044 15.331 3.768 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.873 16.239 3.326 1.00 2.62 N ATOM 1345 NH2 ARG A 402 108.436 14.480 4.677 1.00 2.61 N ATOM 0 H ARG A 402 105.451 12.036 0.214 1.00 0.50 H new ATOM 0 HA ARG A 402 103.296 13.668 1.191 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.790 13.589 1.828 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.153 14.375 0.305 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.647 16.295 0.959 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.343 15.515 2.498 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.118 16.361 1.486 1.00 1.24 H new ATOM 0 HD3 ARG A 402 106.185 17.220 2.695 1.00 1.24 H new ATOM 0 HE ARG A 402 106.181 14.560 3.656 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.569 16.905 2.616 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.825 16.282 3.691 1.00 2.62 H new ATOM 0 HH21 ARG A 402 107.790 13.771 5.024 1.00 2.61 H new ATOM 0 HH22 ARG A 402 109.388 14.525 5.041 1.00 2.61 H new ATOM 1359 N ARG A 403 104.293 14.402 -1.847 1.00 0.54 N ATOM 1360 CA ARG A 403 103.844 15.157 -3.054 1.00 0.62 C ATOM 1361 C ARG A 403 102.468 14.666 -3.515 1.00 0.72 C ATOM 1362 O ARG A 403 101.617 15.443 -3.899 1.00 0.82 O ATOM 1363 CB ARG A 403 104.900 14.860 -4.121 1.00 0.63 C ATOM 1364 CG ARG A 403 106.263 15.375 -3.654 1.00 0.83 C ATOM 1365 CD ARG A 403 106.250 16.904 -3.628 1.00 0.96 C ATOM 1366 NE ARG A 403 107.655 17.295 -3.322 1.00 1.38 N ATOM 1367 CZ ARG A 403 108.139 17.120 -2.120 1.00 2.01 C ATOM 1368 NH1 ARG A 403 107.391 16.612 -1.177 1.00 2.48 N ATOM 1369 NH2 ARG A 403 109.372 17.458 -1.861 1.00 2.46 N ATOM 0 H ARG A 403 105.115 13.813 -1.983 1.00 0.54 H new ATOM 0 HA ARG A 403 103.747 16.224 -2.856 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.950 13.787 -4.308 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.624 15.335 -5.062 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.490 14.986 -2.661 1.00 0.83 H new ATOM 0 HG3 ARG A 403 107.047 15.019 -4.323 1.00 0.83 H new ATOM 0 HD2 ARG A 403 105.926 17.313 -4.585 1.00 0.96 H new ATOM 0 HD3 ARG A 403 105.562 17.280 -2.871 1.00 0.96 H new ATOM 0 HE ARG A 403 108.241 17.700 -4.052 1.00 1.38 H new ATOM 0 HH11 ARG A 403 106.426 16.350 -1.377 1.00 2.48 H new ATOM 0 HH12 ARG A 403 107.772 16.477 -0.241 1.00 2.48 H new ATOM 0 HH21 ARG A 403 109.956 17.858 -2.595 1.00 2.46 H new ATOM 0 HH22 ARG A 403 109.752 17.323 -0.924 1.00 2.46 H new ATOM 1383 N HIS A 404 102.230 13.386 -3.454 1.00 0.74 N ATOM 1384 CA HIS A 404 100.898 12.854 -3.864 1.00 0.86 C ATOM 1385 C HIS A 404 99.799 13.359 -2.922 1.00 0.84 C ATOM 1386 O HIS A 404 98.727 13.739 -3.349 1.00 0.94 O ATOM 1387 CB HIS A 404 101.034 11.336 -3.774 1.00 0.92 C ATOM 1388 CG HIS A 404 99.753 10.689 -4.222 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.288 10.334 -5.464 1.00 1.39 N flip ATOM 1390 CD2 HIS A 404 98.757 10.326 -3.328 1.00 2.29 C flip ATOM 1391 CE1 HIS A 404 98.026 9.760 -5.346 1.00 1.88 C flip ATOM 1392 NE2 HIS A 404 97.754 9.780 -4.039 1.00 2.43 N flip ATOM 0 H HIS A 404 102.899 12.684 -3.138 1.00 0.74 H new ATOM 0 HA HIS A 404 100.618 13.180 -4.866 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.862 10.997 -4.397 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.264 11.041 -2.750 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.782 10.458 -2.256 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.401 9.380 -6.141 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.890 9.424 -3.629 1.00 2.43 H new ATOM 1400 N VAL A 405 100.069 13.411 -1.649 1.00 0.76 N ATOM 1401 CA VAL A 405 99.049 13.937 -0.697 1.00 0.79 C ATOM 1402 C VAL A 405 98.777 15.419 -0.971 1.00 0.85 C ATOM 1403 O VAL A 405 97.648 15.859 -0.972 1.00 0.94 O ATOM 1404 CB VAL A 405 99.661 13.744 0.690 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.748 14.372 1.744 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.814 12.249 0.975 1.00 0.76 C ATOM 0 H VAL A 405 100.948 13.114 -1.226 1.00 0.76 H new ATOM 0 HA VAL A 405 98.093 13.422 -0.792 1.00 0.79 H new ATOM 0 HB VAL A 405 100.639 14.224 0.725 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.185 14.234 2.733 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.638 15.437 1.542 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.770 13.893 1.710 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.250 12.110 1.964 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.836 11.770 0.939 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.465 11.800 0.225 1.00 0.76 H new ATOM 1416 N GLU A 406 99.798 16.200 -1.178 1.00 0.84 N ATOM 1417 CA GLU A 406 99.580 17.657 -1.414 1.00 0.95 C ATOM 1418 C GLU A 406 98.758 17.883 -2.688 1.00 1.05 C ATOM 1419 O GLU A 406 97.929 18.770 -2.750 1.00 1.19 O ATOM 1420 CB GLU A 406 100.983 18.246 -1.567 1.00 0.91 C ATOM 1421 CG GLU A 406 101.733 18.122 -0.240 1.00 0.88 C ATOM 1422 CD GLU A 406 101.007 18.932 0.835 1.00 1.43 C ATOM 1423 OE1 GLU A 406 100.194 19.766 0.473 1.00 2.16 O ATOM 1424 OE2 GLU A 406 101.276 18.703 2.004 1.00 1.86 O ATOM 0 H GLU A 406 100.772 15.896 -1.194 1.00 0.84 H new ATOM 0 HA GLU A 406 99.025 18.124 -0.600 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.525 17.722 -2.354 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.920 19.292 -1.865 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.795 17.075 0.058 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.755 18.482 -0.353 1.00 0.88 H new ATOM 1431 N ALA A 407 98.963 17.082 -3.699 1.00 1.02 N ATOM 1432 CA ALA A 407 98.169 17.251 -4.952 1.00 1.17 C ATOM 1433 C ALA A 407 96.699 16.939 -4.676 1.00 1.32 C ATOM 1434 O ALA A 407 95.814 17.695 -5.026 1.00 1.53 O ATOM 1435 CB ALA A 407 98.759 16.241 -5.937 1.00 1.12 C ATOM 0 H ALA A 407 99.642 16.321 -3.713 1.00 1.02 H new ATOM 0 HA ALA A 407 98.215 18.268 -5.343 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.226 16.304 -6.886 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.814 16.463 -6.098 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.658 15.235 -5.531 1.00 1.12 H new ATOM 1441 N ASN A 408 96.452 15.915 -3.911 1.00 1.23 N ATOM 1442 CA ASN A 408 95.069 15.644 -3.443 1.00 1.37 C ATOM 1443 C ASN A 408 94.629 16.763 -2.505 1.00 1.44 C ATOM 1444 O ASN A 408 93.455 16.998 -2.298 1.00 1.60 O ATOM 1445 CB ASN A 408 95.174 14.319 -2.692 1.00 1.27 C ATOM 1446 CG ASN A 408 95.453 13.189 -3.686 1.00 1.88 C ATOM 1447 OD1 ASN A 408 94.763 13.122 -4.791 1.00 2.75 O flip ATOM 1448 ND2 ASN A 408 96.310 12.358 -3.454 1.00 2.02 N flip ATOM 0 H ASN A 408 97.155 15.250 -3.588 1.00 1.23 H new ATOM 0 HA ASN A 408 94.341 15.595 -4.253 1.00 1.37 H new ATOM 0 HB2 ASN A 408 95.972 14.371 -1.951 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.249 14.121 -2.151 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.850 12.410 -2.590 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.489 11.609 -4.123 1.00 2.02 H new ATOM 1455 N GLY A 409 95.575 17.392 -1.870 1.00 1.37 N ATOM 1456 CA GLY A 409 95.245 18.429 -0.864 1.00 1.51 C ATOM 1457 C GLY A 409 95.266 17.803 0.531 1.00 1.69 C ATOM 1458 O GLY A 409 94.697 18.325 1.469 1.00 2.28 O ATOM 0 H GLY A 409 96.572 17.228 -2.008 1.00 1.37 H new ATOM 0 HA2 GLY A 409 95.963 19.247 -0.919 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.262 18.853 -1.070 1.00 1.51 H new ATOM 1462 N GLY A 410 95.957 16.704 0.682 1.00 1.39 N ATOM 1463 CA GLY A 410 96.060 16.062 2.022 1.00 1.72 C ATOM 1464 C GLY A 410 97.312 16.574 2.737 1.00 1.26 C ATOM 1465 O GLY A 410 97.992 17.460 2.258 1.00 1.69 O ATOM 0 H GLY A 410 96.455 16.224 -0.067 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.173 16.286 2.614 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.106 14.978 1.915 1.00 1.72 H new ATOM 1469 N HIS A 411 97.651 15.992 3.855 1.00 0.88 N ATOM 1470 CA HIS A 411 98.892 16.414 4.566 1.00 1.32 C ATOM 1471 C HIS A 411 99.631 15.191 5.119 1.00 1.27 C ATOM 1472 O HIS A 411 99.038 14.164 5.385 1.00 1.52 O ATOM 1473 CB HIS A 411 98.414 17.315 5.704 1.00 1.83 C ATOM 1474 CG HIS A 411 97.715 18.516 5.131 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.379 19.462 4.365 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.411 18.940 5.200 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.482 20.399 4.008 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.266 20.129 4.492 1.00 4.13 N ATOM 0 H HIS A 411 97.124 15.244 4.306 1.00 0.88 H new ATOM 0 HA HIS A 411 99.588 16.931 3.905 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.738 16.765 6.358 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.261 17.630 6.313 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.618 18.428 5.724 1.00 3.34 H new ATOM 0 HE1 HIS A 411 97.716 21.263 3.404 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.414 20.677 4.369 1.00 4.13 H new ATOM 1486 N PHE A 412 100.918 15.299 5.307 1.00 1.04 N ATOM 1487 CA PHE A 412 101.693 14.149 5.858 1.00 1.06 C ATOM 1488 C PHE A 412 101.838 14.293 7.378 1.00 1.03 C ATOM 1489 O PHE A 412 102.529 15.172 7.855 1.00 1.05 O ATOM 1490 CB PHE A 412 103.059 14.238 5.174 1.00 1.03 C ATOM 1491 CG PHE A 412 103.639 12.853 5.019 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.225 12.209 6.119 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.594 12.213 3.774 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.766 10.923 5.971 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.135 10.928 3.625 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.720 10.283 4.724 1.00 3.31 C ATOM 0 H PHE A 412 101.467 16.134 5.103 1.00 1.04 H new ATOM 0 HA PHE A 412 101.207 13.190 5.676 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.958 14.712 4.198 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.732 14.861 5.763 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.260 12.703 7.079 1.00 1.90 H new ATOM 0 HD2 PHE A 412 103.142 12.710 2.928 1.00 1.73 H new ATOM 0 HE1 PHE A 412 105.218 10.426 6.817 1.00 2.91 H new ATOM 0 HE2 PHE A 412 104.101 10.435 2.664 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.135 9.293 4.610 1.00 3.31 H new ATOM 1506 N PRO A 413 101.146 13.443 8.089 1.00 1.03 N ATOM 1507 CA PRO A 413 101.160 13.497 9.574 1.00 1.06 C ATOM 1508 C PRO A 413 102.588 13.346 10.108 1.00 0.96 C ATOM 1509 O PRO A 413 103.393 12.622 9.559 1.00 0.88 O ATOM 1510 CB PRO A 413 100.296 12.308 10.000 1.00 1.16 C ATOM 1511 CG PRO A 413 99.503 11.930 8.787 1.00 1.23 C ATOM 1512 CD PRO A 413 100.295 12.364 7.583 1.00 1.05 C ATOM 0 HA PRO A 413 100.788 14.445 9.961 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.914 11.476 10.339 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.641 12.577 10.828 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.326 10.855 8.763 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.526 12.414 8.800 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.888 11.544 7.179 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.644 12.712 6.781 1.00 1.05 H new ATOM 1520 N THR A 414 102.910 14.036 11.170 1.00 1.01 N ATOM 1521 CA THR A 414 104.288 13.944 11.732 1.00 0.97 C ATOM 1522 C THR A 414 104.607 12.500 12.132 1.00 0.92 C ATOM 1523 O THR A 414 105.692 12.011 11.909 1.00 0.84 O ATOM 1524 CB THR A 414 104.279 14.864 12.961 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.613 15.225 13.288 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.638 14.147 14.155 1.00 1.75 C ATOM 0 H THR A 414 102.278 14.659 11.672 1.00 1.01 H new ATOM 0 HA THR A 414 105.049 14.241 11.010 1.00 0.97 H new ATOM 0 HB THR A 414 103.699 15.758 12.732 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.610 15.814 14.071 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.638 14.810 15.020 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.612 13.873 13.907 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.208 13.247 14.388 1.00 1.75 H new ATOM 1534 N ASP A 415 103.687 11.836 12.776 1.00 0.99 N ATOM 1535 CA ASP A 415 103.965 10.451 13.251 1.00 0.97 C ATOM 1536 C ASP A 415 104.368 9.556 12.077 1.00 0.83 C ATOM 1537 O ASP A 415 105.232 8.717 12.192 1.00 0.84 O ATOM 1538 CB ASP A 415 102.653 9.973 13.870 1.00 1.08 C ATOM 1539 CG ASP A 415 102.374 10.767 15.147 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.266 11.474 15.588 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.275 10.655 15.664 1.00 1.80 O ATOM 0 H ASP A 415 102.756 12.192 12.994 1.00 0.99 H new ATOM 0 HA ASP A 415 104.787 10.418 13.966 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.835 10.104 13.161 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.712 8.908 14.096 1.00 1.08 H new ATOM 1546 N VAL A 416 103.796 9.761 10.929 1.00 0.71 N ATOM 1547 CA VAL A 416 104.218 8.953 9.754 1.00 0.60 C ATOM 1548 C VAL A 416 105.615 9.381 9.295 1.00 0.51 C ATOM 1549 O VAL A 416 106.432 8.563 8.928 1.00 0.46 O ATOM 1550 CB VAL A 416 103.172 9.246 8.681 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.612 8.636 7.348 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.832 8.637 9.101 1.00 0.71 C ATOM 0 H VAL A 416 103.061 10.446 10.752 1.00 0.71 H new ATOM 0 HA VAL A 416 104.277 7.888 9.977 1.00 0.60 H new ATOM 0 HB VAL A 416 103.066 10.325 8.565 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.862 8.848 6.586 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.567 9.068 7.048 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.721 7.557 7.460 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.083 8.844 8.337 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.943 7.559 9.217 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.515 9.073 10.048 1.00 0.71 H new ATOM 1562 N ASP A 417 105.923 10.645 9.383 1.00 0.53 N ATOM 1563 CA ASP A 417 107.300 11.095 9.025 1.00 0.53 C ATOM 1564 C ASP A 417 108.330 10.471 9.972 1.00 0.58 C ATOM 1565 O ASP A 417 109.366 9.997 9.552 1.00 0.60 O ATOM 1566 CB ASP A 417 107.276 12.617 9.180 1.00 0.61 C ATOM 1567 CG ASP A 417 108.575 13.207 8.628 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.364 12.450 8.089 1.00 1.81 O ATOM 1569 OD2 ASP A 417 108.758 14.407 8.754 1.00 1.15 O ATOM 0 H ASP A 417 105.287 11.383 9.685 1.00 0.53 H new ATOM 0 HA ASP A 417 107.580 10.794 8.015 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.420 13.034 8.649 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.160 12.884 10.230 1.00 0.61 H new ATOM 1574 N GLN A 418 108.044 10.436 11.245 1.00 0.62 N ATOM 1575 CA GLN A 418 109.000 9.812 12.203 1.00 0.68 C ATOM 1576 C GLN A 418 109.074 8.296 11.983 1.00 0.69 C ATOM 1577 O GLN A 418 110.138 7.718 12.025 1.00 0.81 O ATOM 1578 CB GLN A 418 108.463 10.152 13.598 1.00 0.73 C ATOM 1579 CG GLN A 418 107.047 9.610 13.761 1.00 1.31 C ATOM 1580 CD GLN A 418 106.612 9.749 15.221 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.164 10.800 15.635 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.725 8.726 16.022 1.00 2.60 N ATOM 0 H GLN A 418 107.192 10.811 11.662 1.00 0.62 H new ATOM 0 HA GLN A 418 110.015 10.186 12.070 1.00 0.68 H new ATOM 0 HB2 GLN A 418 109.114 9.725 14.361 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.466 11.232 13.744 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.361 10.155 13.113 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.010 8.564 13.457 1.00 1.31 H new ATOM 0 HE21 GLN A 418 107.101 7.844 15.673 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.437 8.808 16.997 1.00 2.60 H new ATOM 1591 N LYS A 419 107.980 7.650 11.675 1.00 0.61 N ATOM 1592 CA LYS A 419 108.057 6.188 11.379 1.00 0.63 C ATOM 1593 C LYS A 419 108.914 5.933 10.133 1.00 0.62 C ATOM 1594 O LYS A 419 109.693 5.006 10.086 1.00 0.71 O ATOM 1595 CB LYS A 419 106.612 5.751 11.134 1.00 0.57 C ATOM 1596 CG LYS A 419 105.835 5.787 12.452 1.00 0.81 C ATOM 1597 CD LYS A 419 104.412 5.274 12.219 1.00 0.93 C ATOM 1598 CE LYS A 419 103.604 5.404 13.512 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.390 6.868 13.685 1.00 2.49 N ATOM 0 H LYS A 419 107.049 8.063 11.616 1.00 0.61 H new ATOM 0 HA LYS A 419 108.518 5.633 12.196 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.141 6.410 10.404 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.592 4.745 10.715 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.337 5.172 13.199 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.807 6.804 12.842 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.935 5.843 11.421 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.438 4.233 11.897 1.00 0.93 H new ATOM 0 HE2 LYS A 419 102.655 4.872 13.440 1.00 1.33 H new ATOM 0 HE3 LYS A 419 104.144 4.981 14.359 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.566 7.028 14.299 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.234 7.293 14.119 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 103.220 7.306 12.757 1.00 2.49 H new ATOM 1613 N VAL A 420 108.811 6.777 9.146 1.00 0.56 N ATOM 1614 CA VAL A 420 109.646 6.613 7.917 1.00 0.62 C ATOM 1615 C VAL A 420 111.127 6.790 8.252 1.00 0.71 C ATOM 1616 O VAL A 420 111.986 6.103 7.737 1.00 0.79 O ATOM 1617 CB VAL A 420 109.178 7.731 6.987 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.179 7.909 5.846 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.806 7.375 6.411 1.00 0.59 C ATOM 0 H VAL A 420 108.181 7.579 9.135 1.00 0.56 H new ATOM 0 HA VAL A 420 109.539 5.625 7.470 1.00 0.62 H new ATOM 0 HB VAL A 420 109.107 8.661 7.551 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.840 8.708 5.186 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.156 8.167 6.256 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.256 6.980 5.281 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.472 8.173 5.747 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.877 6.443 5.851 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.090 7.256 7.224 1.00 0.59 H new ATOM 1629 N ASP A 421 111.426 7.746 9.076 1.00 0.72 N ATOM 1630 CA ASP A 421 112.845 8.035 9.424 1.00 0.84 C ATOM 1631 C ASP A 421 113.432 6.916 10.288 1.00 0.91 C ATOM 1632 O ASP A 421 114.533 6.457 10.063 1.00 1.00 O ATOM 1633 CB ASP A 421 112.779 9.342 10.205 1.00 0.88 C ATOM 1634 CG ASP A 421 112.482 10.497 9.247 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.506 10.268 8.049 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.235 11.590 9.727 1.00 2.05 O ATOM 0 H ASP A 421 110.742 8.350 9.531 1.00 0.72 H new ATOM 0 HA ASP A 421 113.484 8.105 8.544 1.00 0.84 H new ATOM 0 HB2 ASP A 421 112.004 9.282 10.970 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.723 9.517 10.721 1.00 0.88 H new ATOM 1641 N GLN A 422 112.684 6.443 11.243 1.00 0.89 N ATOM 1642 CA GLN A 422 113.171 5.316 12.087 1.00 0.98 C ATOM 1643 C GLN A 422 113.326 4.060 11.233 1.00 0.98 C ATOM 1644 O GLN A 422 114.262 3.304 11.390 1.00 1.07 O ATOM 1645 CB GLN A 422 112.091 5.126 13.152 1.00 0.99 C ATOM 1646 CG GLN A 422 111.963 6.405 13.985 1.00 1.32 C ATOM 1647 CD GLN A 422 110.869 6.220 15.038 1.00 1.77 C ATOM 1648 OE1 GLN A 422 110.018 5.363 14.904 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.855 6.994 16.088 1.00 2.33 N ATOM 0 H GLN A 422 111.753 6.789 11.477 1.00 0.89 H new ATOM 0 HA GLN A 422 114.144 5.515 12.535 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.137 4.890 12.680 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.345 4.284 13.796 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.913 6.634 14.468 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.722 7.250 13.339 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.569 7.713 16.201 1.00 2.33 H new ATOM 0 HE22 GLN A 422 110.130 6.880 16.796 1.00 2.33 H new ATOM 1658 N VAL A 423 112.512 3.921 10.228 1.00 0.91 N ATOM 1659 CA VAL A 423 112.720 2.822 9.253 1.00 0.94 C ATOM 1660 C VAL A 423 114.097 2.967 8.597 1.00 0.96 C ATOM 1661 O VAL A 423 114.842 2.015 8.477 1.00 1.00 O ATOM 1662 CB VAL A 423 111.610 3.027 8.230 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.778 2.043 7.074 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.253 2.806 8.897 1.00 0.99 C ATOM 0 H VAL A 423 111.710 4.523 10.040 1.00 0.91 H new ATOM 0 HA VAL A 423 112.689 1.831 9.705 1.00 0.94 H new ATOM 0 HB VAL A 423 111.664 4.045 7.843 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.980 2.196 6.347 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.743 2.207 6.594 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.731 1.023 7.455 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.459 2.953 8.164 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.201 1.790 9.289 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.129 3.517 9.714 1.00 0.99 H new ATOM 1674 N ALA A 424 114.458 4.164 8.224 1.00 0.98 N ATOM 1675 CA ALA A 424 115.811 4.387 7.636 1.00 1.07 C ATOM 1676 C ALA A 424 116.888 4.220 8.709 1.00 1.17 C ATOM 1677 O ALA A 424 117.858 3.513 8.525 1.00 1.24 O ATOM 1678 CB ALA A 424 115.786 5.828 7.138 1.00 1.09 C ATOM 0 H ALA A 424 113.875 4.998 8.301 1.00 0.98 H new ATOM 0 HA ALA A 424 116.038 3.677 6.841 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.748 6.075 6.689 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.998 5.942 6.393 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.594 6.499 7.975 1.00 1.09 H new ATOM 1684 N ARG A 425 116.715 4.860 9.834 1.00 1.23 N ATOM 1685 CA ARG A 425 117.721 4.730 10.926 1.00 1.39 C ATOM 1686 C ARG A 425 117.934 3.255 11.264 1.00 1.38 C ATOM 1687 O ARG A 425 118.961 2.868 11.785 1.00 1.53 O ATOM 1688 CB ARG A 425 117.116 5.475 12.116 1.00 1.57 C ATOM 1689 CG ARG A 425 117.008 6.964 11.788 1.00 2.17 C ATOM 1690 CD ARG A 425 116.506 7.725 13.017 1.00 2.43 C ATOM 1691 NE ARG A 425 116.262 9.114 12.536 1.00 2.68 N ATOM 1692 CZ ARG A 425 115.571 9.951 13.265 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.088 9.574 14.419 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.364 11.165 12.838 1.00 3.73 N ATOM 0 H ARG A 425 115.922 5.466 10.043 1.00 1.23 H new ATOM 0 HA ARG A 425 118.693 5.138 10.647 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.131 5.071 12.348 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.736 5.331 13.001 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.980 7.350 11.480 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.326 7.114 10.951 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.594 7.278 13.413 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.243 7.709 13.820 1.00 2.43 H new ATOM 0 HE ARG A 425 116.635 9.413 11.635 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.250 8.624 14.754 1.00 4.11 H new ATOM 0 HH12 ARG A 425 114.549 10.230 14.985 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.741 11.460 11.937 1.00 3.73 H new ATOM 0 HH22 ARG A 425 114.825 11.820 13.405 1.00 3.73 H new ATOM 1708 N GLN A 426 116.986 2.422 10.934 1.00 1.26 N ATOM 1709 CA GLN A 426 117.157 0.961 11.199 1.00 1.33 C ATOM 1710 C GLN A 426 117.816 0.271 10.003 1.00 1.26 C ATOM 1711 O GLN A 426 118.037 -0.924 10.009 1.00 1.33 O ATOM 1712 CB GLN A 426 115.745 0.426 11.424 1.00 1.34 C ATOM 1713 CG GLN A 426 115.202 0.982 12.739 1.00 1.95 C ATOM 1714 CD GLN A 426 113.739 0.567 12.907 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.085 0.204 11.949 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.195 0.603 14.092 1.00 2.92 N ATOM 0 H GLN A 426 116.104 2.685 10.495 1.00 1.26 H new ATOM 0 HA GLN A 426 117.801 0.775 12.058 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.097 0.716 10.597 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.756 -0.664 11.453 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.794 0.610 13.575 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.286 2.069 12.748 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.744 0.908 14.896 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.221 0.327 14.215 1.00 2.92 H new ATOM 1725 N GLY A 427 118.194 1.023 9.009 1.00 1.16 N ATOM 1726 CA GLY A 427 118.913 0.416 7.849 1.00 1.14 C ATOM 1727 C GLY A 427 117.898 -0.118 6.837 1.00 1.07 C ATOM 1728 O GLY A 427 118.245 -0.808 5.899 1.00 1.11 O ATOM 0 H GLY A 427 118.038 2.029 8.947 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.555 1.160 7.377 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.559 -0.392 8.192 1.00 1.14 H new ATOM 1732 N ALA A 428 116.653 0.228 7.000 1.00 1.07 N ATOM 1733 CA ALA A 428 115.615 -0.223 6.029 1.00 1.00 C ATOM 1734 C ALA A 428 115.227 0.933 5.109 1.00 0.94 C ATOM 1735 O ALA A 428 115.299 2.085 5.485 1.00 0.97 O ATOM 1736 CB ALA A 428 114.424 -0.643 6.890 1.00 1.04 C ATOM 0 H ALA A 428 116.307 0.806 7.766 1.00 1.07 H new ATOM 0 HA ALA A 428 115.965 -1.037 5.394 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.614 -0.989 6.247 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.725 -1.449 7.560 1.00 1.04 H new ATOM 0 HB3 ALA A 428 114.082 0.209 7.478 1.00 1.04 H new ATOM 1742 N THR A 429 114.701 0.630 3.956 1.00 0.92 N ATOM 1743 CA THR A 429 114.175 1.712 3.078 1.00 0.88 C ATOM 1744 C THR A 429 112.687 1.892 3.353 1.00 0.65 C ATOM 1745 O THR A 429 111.896 1.019 3.057 1.00 0.62 O ATOM 1746 CB THR A 429 114.392 1.224 1.643 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.761 1.379 1.295 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.520 2.044 0.681 1.00 1.00 C ATOM 0 H THR A 429 114.612 -0.316 3.584 1.00 0.92 H new ATOM 0 HA THR A 429 114.671 2.667 3.250 1.00 0.88 H new ATOM 0 HB THR A 429 114.114 0.172 1.571 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.903 1.066 0.377 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.676 1.695 -0.340 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.470 1.923 0.949 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.793 3.097 0.750 1.00 1.00 H new ATOM 1756 N PRO A 430 112.363 2.986 3.974 1.00 0.70 N ATOM 1757 CA PRO A 430 110.965 3.244 4.361 1.00 0.55 C ATOM 1758 C PRO A 430 110.151 3.669 3.141 1.00 0.54 C ATOM 1759 O PRO A 430 110.191 4.811 2.731 1.00 0.68 O ATOM 1760 CB PRO A 430 111.058 4.393 5.369 1.00 0.81 C ATOM 1761 CG PRO A 430 112.521 4.696 5.538 1.00 1.20 C ATOM 1762 CD PRO A 430 113.249 4.073 4.379 1.00 1.04 C ATOM 0 HA PRO A 430 110.474 2.364 4.777 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.520 5.270 5.009 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.608 4.111 6.321 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.689 5.773 5.562 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.889 4.295 6.482 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.405 4.787 3.571 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.232 3.704 4.672 1.00 1.04 H new ATOM 1770 N LEU A 431 109.223 2.850 2.743 1.00 0.47 N ATOM 1771 CA LEU A 431 108.201 3.325 1.780 1.00 0.56 C ATOM 1772 C LEU A 431 107.029 3.898 2.562 1.00 0.54 C ATOM 1773 O LEU A 431 106.752 3.478 3.661 1.00 0.59 O ATOM 1774 CB LEU A 431 107.747 2.091 1.002 1.00 0.59 C ATOM 1775 CG LEU A 431 108.905 1.537 0.182 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.407 0.355 -0.652 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.431 2.630 -0.748 1.00 1.40 C ATOM 0 H LEU A 431 109.129 1.879 3.041 1.00 0.47 H new ATOM 0 HA LEU A 431 108.588 4.093 1.111 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.382 1.330 1.692 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.917 2.350 0.345 1.00 0.59 H new ATOM 0 HG LEU A 431 109.704 1.207 0.845 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.231 -0.047 -1.242 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.022 -0.421 0.010 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.613 0.689 -1.319 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.260 2.238 -1.337 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.633 2.955 -1.416 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.776 3.477 -0.155 1.00 1.40 H new ATOM 1789 N VAL A 432 106.294 4.794 1.992 1.00 0.49 N ATOM 1790 CA VAL A 432 105.095 5.301 2.708 1.00 0.48 C ATOM 1791 C VAL A 432 103.836 5.002 1.897 1.00 0.48 C ATOM 1792 O VAL A 432 103.825 5.105 0.686 1.00 0.52 O ATOM 1793 CB VAL A 432 105.313 6.804 2.849 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.139 7.424 3.609 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.609 7.058 3.621 1.00 0.51 C ATOM 0 H VAL A 432 106.463 5.198 1.071 1.00 0.49 H new ATOM 0 HA VAL A 432 104.962 4.827 3.681 1.00 0.48 H new ATOM 0 HB VAL A 432 105.382 7.255 1.859 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.297 8.498 3.709 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.214 7.242 3.061 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.068 6.974 4.599 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.767 8.132 3.723 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.538 6.606 4.610 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.447 6.618 3.080 1.00 0.51 H new ATOM 1805 N VAL A 433 102.788 4.602 2.559 1.00 0.44 N ATOM 1806 CA VAL A 433 101.530 4.264 1.841 1.00 0.45 C ATOM 1807 C VAL A 433 100.400 5.153 2.353 1.00 0.37 C ATOM 1808 O VAL A 433 100.203 5.290 3.545 1.00 0.37 O ATOM 1809 CB VAL A 433 101.256 2.801 2.191 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.136 2.263 1.299 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.524 1.974 1.972 1.00 1.08 C ATOM 0 H VAL A 433 102.749 4.494 3.573 1.00 0.44 H new ATOM 0 HA VAL A 433 101.606 4.415 0.764 1.00 0.45 H new ATOM 0 HB VAL A 433 100.954 2.731 3.236 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.941 1.220 1.549 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.231 2.849 1.458 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.437 2.336 0.254 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.326 0.932 2.222 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.829 2.045 0.928 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.322 2.355 2.610 1.00 1.08 H new ATOM 1821 N VAL A 434 99.613 5.696 1.468 1.00 0.43 N ATOM 1822 CA VAL A 434 98.449 6.505 1.920 1.00 0.43 C ATOM 1823 C VAL A 434 97.177 6.063 1.208 1.00 0.48 C ATOM 1824 O VAL A 434 97.197 5.642 0.069 1.00 0.90 O ATOM 1825 CB VAL A 434 98.778 7.956 1.560 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.234 8.257 1.912 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.553 8.189 0.062 1.00 0.49 C ATOM 0 H VAL A 434 99.724 5.615 0.457 1.00 0.43 H new ATOM 0 HA VAL A 434 98.277 6.384 2.989 1.00 0.43 H new ATOM 0 HB VAL A 434 98.124 8.619 2.126 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.464 9.291 1.654 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.389 8.106 2.980 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.889 7.589 1.353 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.790 9.224 -0.185 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.198 7.523 -0.511 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.511 7.986 -0.185 1.00 0.49 H new ATOM 1837 N GLU A 435 96.065 6.288 1.833 1.00 0.61 N ATOM 1838 CA GLU A 435 94.764 6.034 1.159 1.00 0.60 C ATOM 1839 C GLU A 435 94.215 7.353 0.633 1.00 0.62 C ATOM 1840 O GLU A 435 94.121 8.323 1.358 1.00 0.67 O ATOM 1841 CB GLU A 435 93.852 5.475 2.249 1.00 0.70 C ATOM 1842 CG GLU A 435 93.648 3.978 2.015 1.00 0.76 C ATOM 1843 CD GLU A 435 92.638 3.434 3.027 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.233 4.188 3.895 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.285 2.271 2.914 1.00 1.79 O ATOM 0 H GLU A 435 95.996 6.639 2.788 1.00 0.61 H new ATOM 0 HA GLU A 435 94.849 5.346 0.317 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.293 5.645 3.231 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.892 5.991 2.237 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.291 3.804 1.000 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.597 3.451 2.114 1.00 0.76 H new ATOM 1852 N GLY A 436 93.974 7.448 -0.638 1.00 0.61 N ATOM 1853 CA GLY A 436 93.584 8.769 -1.192 1.00 0.64 C ATOM 1854 C GLY A 436 94.679 9.784 -0.856 1.00 0.68 C ATOM 1855 O GLY A 436 95.757 9.758 -1.417 1.00 1.42 O ATOM 0 H GLY A 436 94.028 6.683 -1.310 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.450 8.701 -2.272 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.630 9.089 -0.772 1.00 0.64 H new ATOM 1859 N SER A 437 94.398 10.704 0.027 1.00 0.84 N ATOM 1860 CA SER A 437 95.406 11.750 0.364 1.00 0.81 C ATOM 1861 C SER A 437 95.874 11.622 1.823 1.00 0.83 C ATOM 1862 O SER A 437 96.463 12.534 2.367 1.00 1.35 O ATOM 1863 CB SER A 437 94.674 13.075 0.158 1.00 0.80 C ATOM 1864 OG SER A 437 93.910 13.374 1.319 1.00 1.42 O ATOM 0 H SER A 437 93.513 10.776 0.530 1.00 0.84 H new ATOM 0 HA SER A 437 96.300 11.663 -0.254 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.390 13.873 -0.036 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.023 13.012 -0.714 1.00 0.80 H new ATOM 0 HG SER A 437 93.440 14.224 1.191 1.00 1.42 H new ATOM 1870 N ARG A 438 95.588 10.526 2.476 1.00 0.53 N ATOM 1871 CA ARG A 438 95.992 10.397 3.909 1.00 0.62 C ATOM 1872 C ARG A 438 96.859 9.149 4.104 1.00 0.65 C ATOM 1873 O ARG A 438 96.656 8.134 3.468 1.00 0.69 O ATOM 1874 CB ARG A 438 94.677 10.275 4.677 1.00 0.78 C ATOM 1875 CG ARG A 438 94.130 8.855 4.536 1.00 1.34 C ATOM 1876 CD ARG A 438 92.660 8.833 4.952 1.00 1.53 C ATOM 1877 NE ARG A 438 92.288 7.391 4.981 1.00 2.25 N ATOM 1878 CZ ARG A 438 92.641 6.642 5.993 1.00 2.95 C ATOM 1879 NH1 ARG A 438 93.327 7.150 6.982 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.308 5.380 6.014 1.00 3.52 N ATOM 0 H ARG A 438 95.097 9.722 2.085 1.00 0.53 H new ATOM 0 HA ARG A 438 96.585 11.244 4.254 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.836 10.511 5.729 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.953 10.994 4.294 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.233 8.515 3.506 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.705 8.169 5.157 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.519 9.296 5.929 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.042 9.386 4.245 1.00 1.53 H new ATOM 0 HE ARG A 438 91.757 6.987 4.210 1.00 2.25 H new ATOM 0 HH11 ARG A 438 93.590 8.135 6.967 1.00 3.49 H new ATOM 0 HH12 ARG A 438 93.600 6.561 7.769 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.774 4.981 5.242 1.00 3.52 H new ATOM 0 HH22 ARG A 438 92.582 4.793 6.802 1.00 3.52 H new ATOM 1894 N VAL A 439 97.872 9.248 4.917 1.00 0.67 N ATOM 1895 CA VAL A 439 98.826 8.110 5.070 1.00 0.74 C ATOM 1896 C VAL A 439 98.258 7.034 5.995 1.00 0.93 C ATOM 1897 O VAL A 439 97.906 7.297 7.129 1.00 1.41 O ATOM 1898 CB VAL A 439 100.081 8.730 5.683 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.176 7.668 5.791 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.570 9.875 4.792 1.00 0.86 C ATOM 0 H VAL A 439 98.083 10.069 5.485 1.00 0.67 H new ATOM 0 HA VAL A 439 99.026 7.621 4.117 1.00 0.74 H new ATOM 0 HB VAL A 439 99.848 9.114 6.676 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.071 8.111 6.228 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.829 6.851 6.424 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.410 7.284 4.798 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.465 10.318 5.228 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.802 9.490 3.799 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.791 10.633 4.714 1.00 0.86 H new ATOM 1910 N LEU A 440 98.237 5.808 5.545 1.00 0.79 N ATOM 1911 CA LEU A 440 97.773 4.700 6.430 1.00 1.07 C ATOM 1912 C LEU A 440 98.943 4.144 7.248 1.00 0.74 C ATOM 1913 O LEU A 440 98.770 3.725 8.375 1.00 0.88 O ATOM 1914 CB LEU A 440 97.195 3.623 5.499 1.00 1.60 C ATOM 1915 CG LEU A 440 98.143 3.361 4.328 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.298 1.854 4.123 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.558 3.986 3.060 1.00 1.57 C ATOM 0 H LEU A 440 98.520 5.526 4.606 1.00 0.79 H new ATOM 0 HA LEU A 440 97.024 5.044 7.143 1.00 1.07 H new ATOM 0 HB2 LEU A 440 97.033 2.701 6.057 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.223 3.943 5.123 1.00 1.60 H new ATOM 0 HG LEU A 440 99.118 3.800 4.541 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.974 1.668 3.288 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.706 1.404 5.028 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.324 1.414 3.907 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.229 3.803 2.221 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.585 3.541 2.850 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.442 5.060 3.204 1.00 1.57 H new ATOM 1929 N GLY A 441 100.139 4.160 6.714 1.00 0.64 N ATOM 1930 CA GLY A 441 101.297 3.654 7.512 1.00 1.02 C ATOM 1931 C GLY A 441 102.598 3.727 6.706 1.00 0.82 C ATOM 1932 O GLY A 441 102.624 4.168 5.576 1.00 0.96 O ATOM 0 H GLY A 441 100.361 4.495 5.777 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.398 4.241 8.425 1.00 1.02 H new ATOM 0 HA3 GLY A 441 101.111 2.624 7.815 1.00 1.02 H new ATOM 1936 N VAL A 442 103.677 3.285 7.297 1.00 0.56 N ATOM 1937 CA VAL A 442 105.001 3.304 6.600 1.00 0.44 C ATOM 1938 C VAL A 442 105.564 1.877 6.522 1.00 0.41 C ATOM 1939 O VAL A 442 105.211 1.021 7.308 1.00 0.41 O ATOM 1940 CB VAL A 442 105.895 4.179 7.476 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.276 4.299 6.831 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.274 5.572 7.612 1.00 0.57 C ATOM 0 H VAL A 442 103.699 2.907 8.244 1.00 0.56 H new ATOM 0 HA VAL A 442 104.932 3.684 5.581 1.00 0.44 H new ATOM 0 HB VAL A 442 105.990 3.727 8.463 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.916 4.923 7.455 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.719 3.308 6.734 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.179 4.751 5.844 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.913 6.196 8.237 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.178 6.025 6.625 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.289 5.488 8.070 1.00 0.57 H new ATOM 1952 N ILE A 443 106.380 1.597 5.542 1.00 0.42 N ATOM 1953 CA ILE A 443 106.896 0.202 5.375 1.00 0.43 C ATOM 1954 C ILE A 443 108.425 0.189 5.356 1.00 0.44 C ATOM 1955 O ILE A 443 109.053 0.890 4.596 1.00 0.51 O ATOM 1956 CB ILE A 443 106.353 -0.264 4.025 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.871 0.099 3.912 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.510 -1.780 3.904 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.133 -0.363 5.169 1.00 1.05 C ATOM 0 H ILE A 443 106.712 2.269 4.851 1.00 0.42 H new ATOM 0 HA ILE A 443 106.583 -0.444 6.195 1.00 0.43 H new ATOM 0 HB ILE A 443 106.911 0.227 3.227 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.758 1.176 3.787 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.437 -0.371 3.030 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.122 -2.110 2.940 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.565 -2.044 3.980 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.955 -2.268 4.705 1.00 0.56 H new ATOM 0 HD11 ILE A 443 103.077 -0.104 5.087 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.234 -1.443 5.274 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.560 0.128 6.043 1.00 1.05 H new ATOM 1971 N ALA A 444 109.022 -0.614 6.182 1.00 0.40 N ATOM 1972 CA ALA A 444 110.512 -0.692 6.214 1.00 0.44 C ATOM 1973 C ALA A 444 110.994 -1.920 5.442 1.00 0.43 C ATOM 1974 O ALA A 444 110.601 -3.029 5.730 1.00 0.45 O ATOM 1975 CB ALA A 444 110.863 -0.829 7.696 1.00 0.46 C ATOM 0 H ALA A 444 108.544 -1.226 6.843 1.00 0.40 H new ATOM 0 HA ALA A 444 110.982 0.178 5.756 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.945 -0.893 7.809 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.492 0.040 8.240 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.402 -1.732 8.097 1.00 0.46 H new ATOM 1981 N LEU A 445 111.801 -1.733 4.435 1.00 0.57 N ATOM 1982 CA LEU A 445 112.249 -2.901 3.623 1.00 0.63 C ATOM 1983 C LEU A 445 113.679 -3.293 4.001 1.00 0.75 C ATOM 1984 O LEU A 445 114.527 -2.445 4.188 1.00 0.92 O ATOM 1985 CB LEU A 445 112.201 -2.425 2.171 1.00 0.81 C ATOM 1986 CG LEU A 445 110.756 -2.410 1.667 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.894 -1.544 2.586 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.722 -1.832 0.251 1.00 1.91 C ATOM 0 H LEU A 445 112.168 -0.828 4.140 1.00 0.57 H new ATOM 0 HA LEU A 445 111.620 -3.776 3.788 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.631 -1.426 2.094 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.805 -3.082 1.545 1.00 0.81 H new ATOM 0 HG LEU A 445 110.366 -3.428 1.662 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.867 -1.538 2.222 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.918 -1.951 3.597 1.00 2.11 H new ATOM 0 HD13 LEU A 445 110.282 -0.525 2.595 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.694 -1.819 -0.112 1.00 1.91 H new ATOM 0 HD22 LEU A 445 111.115 -0.815 0.263 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.332 -2.449 -0.409 1.00 1.91 H new ATOM 2000 N LYS A 446 113.987 -4.562 3.968 1.00 0.89 N ATOM 2001 CA LYS A 446 115.396 -4.988 4.167 1.00 1.15 C ATOM 2002 C LYS A 446 116.115 -4.995 2.822 1.00 1.27 C ATOM 2003 O LYS A 446 115.528 -5.287 1.801 1.00 1.87 O ATOM 2004 CB LYS A 446 115.300 -6.400 4.727 1.00 1.92 C ATOM 2005 CG LYS A 446 116.662 -6.842 5.255 1.00 2.25 C ATOM 2006 CD LYS A 446 116.556 -8.282 5.752 1.00 2.85 C ATOM 2007 CE LYS A 446 117.847 -8.673 6.477 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.509 -8.603 7.925 1.00 4.48 N ATOM 0 H LYS A 446 113.322 -5.319 3.812 1.00 0.89 H new ATOM 0 HA LYS A 446 115.950 -4.326 4.832 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.561 -6.434 5.528 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.961 -7.086 3.951 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.413 -6.769 4.468 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.983 -6.187 6.064 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.704 -8.383 6.425 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.381 -8.955 4.913 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.171 -9.675 6.195 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.662 -7.993 6.228 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.345 -8.858 8.489 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 117.211 -7.636 8.166 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.735 -9.266 8.133 1.00 4.48 H new