USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=21 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 : no HD1:sc= -2.26! C(o=-2.1!,f=-4.4!) USER MOD Set 1.2: A 408 ASN :FLIP amide:sc= 0.192 F(o=-3,f=-2.1) USER MOD Set 2.1: A 378 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 381 SER OG : rot -70:sc= 1.18 USER MOD Set 2.3: A 383 MET CE :methyl -147:sc= -1.47 (180deg=-3.65!) USER MOD Set 3.1: A 318 GLN : amide:sc= -0.237 K(o=-4.8,f=-5.5) USER MOD Set 3.2: A 351 SER OG : rot 20:sc= -4.56! USER MOD Single : A 320 SER OG : rot -160:sc= 0 USER MOD Single : A 326 GLN : amide:sc= -2.21! C(o=-2.2!,f=-3.8!) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -0.262 USER MOD Single : A 338 GLN : amide:sc= -12.1! C(o=-12!,f=-27!) USER MOD Single : A 341 SER OG : rot -31:sc= -6.05! USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -140:sc= -0.105 USER MOD Single : A 387 ASN :FLIP amide:sc= -1.73 F(o=-4.7!,f=-1.7) USER MOD Single : A 390 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.8!) USER MOD Single : A 392 MET CE :methyl 129:sc= -0.133 (180deg=-0.939) USER MOD Single : A 395 LYS NZ :NH3+ 178:sc= -5.45! (180deg=-5.83!) USER MOD Single : A 397 SER OG : rot -140:sc= -0.0979 USER MOD Single : A 411 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.5) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.42) USER MOD Single : A 419 LYS NZ :NH3+ -172:sc= 0.849 (180deg=0.38) USER MOD Single : A 422 GLN :FLIP amide:sc= -1.22 F(o=-2!,f=-1.2) USER MOD Single : A 426 GLN : amide:sc=-0.00893 K(o=-0.0089,f=-1.6!) 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+ -137:sc= 0 (180deg=-0.0979) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 318 113.415 -5.957 0.527 1.00 2.19 N ATOM 40 CA GLN A 318 112.138 -6.721 0.668 1.00 2.64 C ATOM 41 C GLN A 318 111.325 -6.145 1.827 1.00 2.16 C ATOM 42 O GLN A 318 111.871 -5.765 2.838 1.00 2.69 O ATOM 43 CB GLN A 318 112.557 -8.162 0.990 1.00 3.37 C ATOM 44 CG GLN A 318 113.795 -8.544 0.178 1.00 4.16 C ATOM 45 CD GLN A 318 113.516 -8.341 -1.312 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.505 -8.787 -1.819 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.373 -7.681 -2.041 1.00 5.58 N ATOM 0 HA GLN A 318 111.525 -6.669 -0.232 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.767 -8.258 2.055 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.739 -8.846 0.764 1.00 3.37 H new ATOM 0 HG2 GLN A 318 114.645 -7.935 0.485 1.00 4.16 H new ATOM 0 HG3 GLN A 318 114.061 -9.583 0.370 1.00 4.16 H new ATOM 0 HE21 GLN A 318 115.222 -7.306 -1.617 1.00 5.58 H new ATOM 0 HE22 GLN A 318 114.195 -7.540 -3.035 1.00 5.58 H new ATOM 56 N ALA A 319 110.028 -6.088 1.706 1.00 1.32 N ATOM 57 CA ALA A 319 109.215 -5.539 2.829 1.00 1.05 C ATOM 58 C ALA A 319 109.343 -6.432 4.061 1.00 0.89 C ATOM 59 O ALA A 319 109.013 -7.600 4.031 1.00 1.18 O ATOM 60 CB ALA A 319 107.776 -5.548 2.324 1.00 1.42 C ATOM 0 H ALA A 319 109.500 -6.394 0.889 1.00 1.32 H new ATOM 0 HA ALA A 319 109.543 -4.540 3.118 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.116 -5.156 3.098 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.699 -4.925 1.433 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.483 -6.569 2.080 1.00 1.42 H new ATOM 66 N SER A 320 109.797 -5.885 5.153 1.00 0.59 N ATOM 67 CA SER A 320 109.917 -6.704 6.392 1.00 0.64 C ATOM 68 C SER A 320 109.054 -6.120 7.519 1.00 0.49 C ATOM 69 O SER A 320 108.426 -6.845 8.265 1.00 0.50 O ATOM 70 CB SER A 320 111.397 -6.647 6.764 1.00 0.78 C ATOM 71 OG SER A 320 112.081 -7.723 6.134 1.00 1.60 O ATOM 0 H SER A 320 110.089 -4.912 5.242 1.00 0.59 H new ATOM 0 HA SER A 320 109.572 -7.726 6.237 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.826 -5.695 6.451 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.515 -6.710 7.846 1.00 0.78 H new ATOM 0 HG SER A 320 112.928 -7.888 6.598 1.00 1.60 H new ATOM 77 N GLU A 321 109.028 -4.821 7.663 1.00 0.45 N ATOM 78 CA GLU A 321 108.218 -4.213 8.759 1.00 0.44 C ATOM 79 C GLU A 321 107.259 -3.167 8.204 1.00 0.37 C ATOM 80 O GLU A 321 107.656 -2.217 7.570 1.00 0.35 O ATOM 81 CB GLU A 321 109.223 -3.562 9.690 1.00 0.59 C ATOM 82 CG GLU A 321 108.487 -2.926 10.870 1.00 0.73 C ATOM 83 CD GLU A 321 109.491 -2.192 11.763 1.00 1.02 C ATOM 84 OE1 GLU A 321 110.663 -2.189 11.425 1.00 1.30 O ATOM 85 OE2 GLU A 321 109.069 -1.645 12.768 1.00 1.82 O ATOM 0 H GLU A 321 109.530 -4.158 7.072 1.00 0.45 H new ATOM 0 HA GLU A 321 107.611 -4.960 9.270 1.00 0.44 H new ATOM 0 HB2 GLU A 321 109.936 -4.304 10.049 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.795 -2.805 9.153 1.00 0.59 H new ATOM 0 HG2 GLU A 321 107.730 -2.230 10.508 1.00 0.73 H new ATOM 0 HG3 GLU A 321 107.967 -3.693 11.444 1.00 0.73 H new ATOM 92 N PHE A 322 106.024 -3.272 8.564 1.00 0.40 N ATOM 93 CA PHE A 322 105.036 -2.210 8.207 1.00 0.37 C ATOM 94 C PHE A 322 104.454 -1.579 9.478 1.00 0.38 C ATOM 95 O PHE A 322 104.175 -2.262 10.444 1.00 0.42 O ATOM 96 CB PHE A 322 103.967 -2.928 7.369 1.00 0.41 C ATOM 97 CG PHE A 322 103.228 -3.946 8.209 1.00 0.52 C ATOM 98 CD1 PHE A 322 103.866 -5.133 8.601 1.00 0.94 C ATOM 99 CD2 PHE A 322 101.902 -3.710 8.590 1.00 0.67 C ATOM 100 CE1 PHE A 322 103.181 -6.076 9.376 1.00 1.14 C ATOM 101 CE2 PHE A 322 101.217 -4.655 9.365 1.00 0.87 C ATOM 102 CZ PHE A 322 101.856 -5.838 9.759 1.00 1.00 C ATOM 0 H PHE A 322 105.642 -4.053 9.097 1.00 0.40 H new ATOM 0 HA PHE A 322 105.480 -1.387 7.647 1.00 0.37 H new ATOM 0 HB2 PHE A 322 103.263 -2.200 6.967 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.435 -3.422 6.518 1.00 0.41 H new ATOM 0 HD1 PHE A 322 104.888 -5.319 8.304 1.00 0.94 H new ATOM 0 HD2 PHE A 322 101.407 -2.799 8.287 1.00 0.67 H new ATOM 0 HE1 PHE A 322 103.675 -6.988 9.679 1.00 1.14 H new ATOM 0 HE2 PHE A 322 100.194 -4.471 9.659 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.327 -6.565 10.357 1.00 1.00 H new ATOM 112 N ILE A 323 104.238 -0.288 9.482 1.00 0.37 N ATOM 113 CA ILE A 323 103.643 0.361 10.697 1.00 0.41 C ATOM 114 C ILE A 323 102.587 1.404 10.308 1.00 0.43 C ATOM 115 O ILE A 323 102.762 2.145 9.361 1.00 0.53 O ATOM 116 CB ILE A 323 104.799 1.048 11.426 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.083 0.220 11.302 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.430 1.187 12.903 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.888 -1.132 11.987 1.00 0.52 C ATOM 0 H ILE A 323 104.444 0.342 8.707 1.00 0.37 H new ATOM 0 HA ILE A 323 103.148 -0.382 11.323 1.00 0.41 H new ATOM 0 HB ILE A 323 104.973 2.027 10.980 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.334 0.074 10.251 1.00 0.46 H new ATOM 0 HG13 ILE A 323 106.917 0.753 11.758 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.245 1.676 13.437 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.524 1.786 12.997 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.258 0.199 13.329 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.802 -1.720 11.898 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.658 -0.976 13.041 1.00 0.52 H new ATOM 0 HD13 ILE A 323 105.065 -1.666 11.511 1.00 0.52 H new ATOM 131 N PRO A 324 101.506 1.401 11.048 1.00 0.36 N ATOM 132 CA PRO A 324 100.382 2.328 10.767 1.00 0.40 C ATOM 133 C PRO A 324 100.824 3.786 10.884 1.00 0.64 C ATOM 134 O PRO A 324 101.710 4.119 11.645 1.00 1.44 O ATOM 135 CB PRO A 324 99.346 2.019 11.846 1.00 0.33 C ATOM 136 CG PRO A 324 99.777 0.743 12.495 1.00 0.30 C ATOM 137 CD PRO A 324 101.240 0.540 12.202 1.00 0.29 C ATOM 0 HA PRO A 324 99.999 2.196 9.755 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.293 2.827 12.576 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.352 1.917 11.411 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.607 0.787 13.571 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.193 -0.094 12.114 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.858 0.818 13.056 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.459 -0.504 11.977 1.00 0.29 H new ATOM 145 N ALA A 325 100.089 4.671 10.271 1.00 0.75 N ATOM 146 CA ALA A 325 100.327 6.122 10.495 1.00 0.98 C ATOM 147 C ALA A 325 99.690 6.544 11.818 1.00 0.81 C ATOM 148 O ALA A 325 99.350 5.722 12.645 1.00 1.11 O ATOM 149 CB ALA A 325 99.642 6.822 9.320 1.00 1.58 C ATOM 0 H ALA A 325 99.332 4.451 9.623 1.00 0.75 H new ATOM 0 HA ALA A 325 101.387 6.372 10.550 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.773 7.900 9.412 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.086 6.482 8.385 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.578 6.584 9.324 1.00 1.58 H new ATOM 155 N GLN A 326 99.573 7.818 12.047 1.00 0.91 N ATOM 156 CA GLN A 326 99.015 8.291 13.344 1.00 1.48 C ATOM 157 C GLN A 326 97.558 7.834 13.495 1.00 1.32 C ATOM 158 O GLN A 326 96.654 8.419 12.932 1.00 1.83 O ATOM 159 CB GLN A 326 99.096 9.816 13.268 1.00 2.25 C ATOM 160 CG GLN A 326 98.809 10.416 14.646 1.00 3.14 C ATOM 161 CD GLN A 326 99.057 11.925 14.603 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.483 12.454 13.596 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.812 12.645 15.663 1.00 3.92 N ATOM 0 H GLN A 326 99.839 8.555 11.393 1.00 0.91 H new ATOM 0 HA GLN A 326 99.559 7.893 14.201 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.085 10.121 12.927 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.378 10.192 12.540 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.778 10.214 14.936 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.448 9.952 15.397 1.00 3.14 H new ATOM 0 HE21 GLN A 326 98.454 12.202 16.509 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.978 13.651 15.646 1.00 3.92 H new ATOM 172 N GLY A 327 97.318 6.842 14.311 1.00 1.28 N ATOM 173 CA GLY A 327 95.912 6.407 14.566 1.00 1.48 C ATOM 174 C GLY A 327 95.496 5.332 13.555 1.00 1.24 C ATOM 175 O GLY A 327 94.325 5.118 13.315 1.00 1.52 O ATOM 0 H GLY A 327 98.033 6.314 14.812 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.823 6.016 15.580 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.241 7.263 14.494 1.00 1.48 H new ATOM 179 N VAL A 328 96.441 4.693 12.918 1.00 0.93 N ATOM 180 CA VAL A 328 96.085 3.686 11.876 1.00 1.03 C ATOM 181 C VAL A 328 96.288 2.261 12.406 1.00 1.06 C ATOM 182 O VAL A 328 97.172 2.003 13.196 1.00 1.71 O ATOM 183 CB VAL A 328 97.039 3.962 10.715 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.712 3.022 9.553 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.876 5.414 10.258 1.00 1.57 C ATOM 0 H VAL A 328 97.441 4.824 13.073 1.00 0.93 H new ATOM 0 HA VAL A 328 95.039 3.763 11.578 1.00 1.03 H new ATOM 0 HB VAL A 328 98.066 3.795 11.039 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.392 3.218 8.724 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.825 1.988 9.879 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.685 3.189 9.227 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.556 5.613 9.430 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.849 5.580 9.933 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.107 6.084 11.086 1.00 1.57 H new ATOM 195 N ASP A 329 95.483 1.332 11.962 1.00 1.16 N ATOM 196 CA ASP A 329 95.646 -0.080 12.419 1.00 1.20 C ATOM 197 C ASP A 329 96.730 -0.785 11.592 1.00 1.16 C ATOM 198 O ASP A 329 96.839 -0.586 10.398 1.00 1.39 O ATOM 199 CB ASP A 329 94.283 -0.731 12.182 1.00 1.44 C ATOM 200 CG ASP A 329 93.244 -0.091 13.105 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.644 0.608 14.022 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.065 -0.311 12.880 1.00 1.69 O ATOM 0 H ASP A 329 94.720 1.489 11.303 1.00 1.16 H new ATOM 0 HA ASP A 329 95.953 -0.143 13.463 1.00 1.20 H new ATOM 0 HB2 ASP A 329 93.985 -0.607 11.141 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.342 -1.803 12.371 1.00 1.44 H new ATOM 207 N GLU A 330 97.552 -1.581 12.225 1.00 1.13 N ATOM 208 CA GLU A 330 98.654 -2.266 11.482 1.00 1.11 C ATOM 209 C GLU A 330 98.087 -3.222 10.428 1.00 0.97 C ATOM 210 O GLU A 330 98.551 -3.265 9.309 1.00 0.91 O ATOM 211 CB GLU A 330 99.417 -3.046 12.554 1.00 1.28 C ATOM 212 CG GLU A 330 98.598 -4.263 12.988 1.00 1.68 C ATOM 213 CD GLU A 330 99.307 -4.972 14.144 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.405 -4.559 14.481 1.00 2.70 O ATOM 215 OE2 GLU A 330 98.740 -5.914 14.672 1.00 2.49 O ATOM 0 H GLU A 330 97.509 -1.787 13.223 1.00 1.13 H new ATOM 0 HA GLU A 330 99.290 -1.559 10.949 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.384 -3.366 12.165 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.615 -2.404 13.412 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.600 -3.951 13.296 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.473 -4.948 12.149 1.00 1.68 H new ATOM 222 N LYS A 331 97.080 -3.979 10.764 1.00 0.98 N ATOM 223 CA LYS A 331 96.500 -4.921 9.761 1.00 0.92 C ATOM 224 C LYS A 331 95.995 -4.152 8.539 1.00 0.81 C ATOM 225 O LYS A 331 96.242 -4.530 7.410 1.00 0.80 O ATOM 226 CB LYS A 331 95.345 -5.615 10.482 1.00 1.02 C ATOM 227 CG LYS A 331 95.893 -6.444 11.643 1.00 1.49 C ATOM 228 CD LYS A 331 94.761 -7.259 12.271 1.00 2.27 C ATOM 229 CE LYS A 331 95.287 -8.003 13.500 1.00 2.60 C ATOM 230 NZ LYS A 331 94.159 -8.872 13.937 1.00 3.03 N ATOM 0 H LYS A 331 96.635 -3.988 11.682 1.00 0.98 H new ATOM 0 HA LYS A 331 97.236 -5.638 9.397 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.636 -4.874 10.853 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.802 -6.256 9.788 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.680 -7.109 11.288 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.342 -5.790 12.390 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.940 -6.601 12.555 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.364 -7.969 11.545 1.00 2.27 H new ATOM 0 HE2 LYS A 331 96.169 -8.595 13.255 1.00 2.60 H new ATOM 0 HE3 LYS A 331 95.578 -7.308 14.288 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 94.444 -9.415 14.777 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.335 -8.281 14.170 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.909 -9.528 13.170 1.00 3.03 H new ATOM 244 N THR A 332 95.351 -3.040 8.747 1.00 0.78 N ATOM 245 CA THR A 332 94.902 -2.217 7.588 1.00 0.74 C ATOM 246 C THR A 332 96.107 -1.778 6.757 1.00 0.65 C ATOM 247 O THR A 332 96.098 -1.851 5.545 1.00 0.66 O ATOM 248 CB THR A 332 94.219 -1.003 8.213 1.00 0.77 C ATOM 249 OG1 THR A 332 93.152 -1.435 9.045 1.00 0.90 O ATOM 250 CG2 THR A 332 93.679 -0.096 7.108 1.00 0.82 C ATOM 0 H THR A 332 95.116 -2.665 9.666 1.00 0.78 H new ATOM 0 HA THR A 332 94.237 -2.766 6.922 1.00 0.74 H new ATOM 0 HB THR A 332 94.940 -0.448 8.813 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.617 -0.661 9.319 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.191 0.771 7.554 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.502 0.237 6.476 1.00 0.82 H new ATOM 0 HG23 THR A 332 92.958 -0.647 6.505 1.00 0.82 H new ATOM 258 N LEU A 333 97.142 -1.315 7.398 1.00 0.59 N ATOM 259 CA LEU A 333 98.345 -0.860 6.645 1.00 0.57 C ATOM 260 C LEU A 333 98.901 -1.982 5.768 1.00 0.58 C ATOM 261 O LEU A 333 99.248 -1.777 4.622 1.00 0.54 O ATOM 262 CB LEU A 333 99.358 -0.491 7.726 1.00 0.68 C ATOM 263 CG LEU A 333 100.746 -0.342 7.101 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.801 0.937 6.266 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.785 -0.273 8.215 1.00 0.87 C ATOM 0 H LEU A 333 97.208 -1.231 8.412 1.00 0.59 H new ATOM 0 HA LEU A 333 98.116 -0.029 5.978 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.065 0.440 8.210 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.377 -1.260 8.498 1.00 0.68 H new ATOM 0 HG LEU A 333 100.953 -1.196 6.456 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.791 1.040 5.822 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.053 0.888 5.475 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.598 1.797 6.904 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.779 -0.167 7.780 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.576 0.584 8.855 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.744 -1.187 8.808 1.00 0.87 H new ATOM 277 N ALA A 334 99.052 -3.150 6.317 1.00 0.66 N ATOM 278 CA ALA A 334 99.662 -4.259 5.537 1.00 0.73 C ATOM 279 C ALA A 334 98.798 -4.567 4.314 1.00 0.68 C ATOM 280 O ALA A 334 99.288 -4.844 3.235 1.00 0.66 O ATOM 281 CB ALA A 334 99.688 -5.448 6.496 1.00 0.87 C ATOM 0 H ALA A 334 98.780 -3.386 7.271 1.00 0.66 H new ATOM 0 HA ALA A 334 100.659 -4.016 5.170 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.126 -6.311 5.994 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.286 -5.196 7.372 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.671 -5.687 6.807 1.00 0.87 H new ATOM 287 N ASP A 335 97.515 -4.554 4.489 1.00 0.67 N ATOM 288 CA ASP A 335 96.608 -4.894 3.360 1.00 0.65 C ATOM 289 C ASP A 335 96.676 -3.841 2.249 1.00 0.62 C ATOM 290 O ASP A 335 96.780 -4.168 1.084 1.00 0.69 O ATOM 291 CB ASP A 335 95.218 -4.911 3.981 1.00 0.67 C ATOM 292 CG ASP A 335 94.195 -5.369 2.940 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.609 -5.739 1.854 1.00 1.61 O ATOM 294 OD2 ASP A 335 93.014 -5.344 3.247 1.00 1.96 O ATOM 0 H ASP A 335 97.049 -4.322 5.366 1.00 0.67 H new ATOM 0 HA ASP A 335 96.879 -5.843 2.897 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.201 -5.581 4.841 1.00 0.67 H new ATOM 0 HB3 ASP A 335 94.960 -3.917 4.346 1.00 0.67 H new ATOM 299 N ALA A 336 96.607 -2.582 2.592 1.00 0.60 N ATOM 300 CA ALA A 336 96.644 -1.521 1.539 1.00 0.62 C ATOM 301 C ALA A 336 97.980 -1.549 0.805 1.00 0.51 C ATOM 302 O ALA A 336 98.042 -1.327 -0.386 1.00 0.55 O ATOM 303 CB ALA A 336 96.460 -0.193 2.275 1.00 0.76 C ATOM 0 H ALA A 336 96.527 -2.242 3.550 1.00 0.60 H new ATOM 0 HA ALA A 336 95.866 -1.670 0.790 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.478 0.627 1.557 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.504 -0.196 2.798 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.267 -0.062 2.996 1.00 0.76 H new ATOM 309 N ALA A 337 99.040 -1.874 1.482 1.00 0.46 N ATOM 310 CA ALA A 337 100.348 -1.966 0.777 1.00 0.50 C ATOM 311 C ALA A 337 100.286 -3.058 -0.296 1.00 0.62 C ATOM 312 O ALA A 337 100.862 -2.927 -1.357 1.00 0.72 O ATOM 313 CB ALA A 337 101.369 -2.330 1.854 1.00 0.50 C ATOM 0 H ALA A 337 99.062 -2.078 2.481 1.00 0.46 H new ATOM 0 HA ALA A 337 100.611 -1.034 0.276 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.358 -2.415 1.404 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.383 -1.554 2.619 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.095 -3.282 2.309 1.00 0.50 H new ATOM 319 N GLN A 338 99.590 -4.131 -0.031 1.00 0.71 N ATOM 320 CA GLN A 338 99.497 -5.217 -1.049 1.00 0.91 C ATOM 321 C GLN A 338 98.684 -4.759 -2.262 1.00 0.94 C ATOM 322 O GLN A 338 99.136 -4.831 -3.386 1.00 1.06 O ATOM 323 CB GLN A 338 98.782 -6.370 -0.344 1.00 1.03 C ATOM 324 CG GLN A 338 99.570 -6.871 0.885 1.00 1.03 C ATOM 325 CD GLN A 338 100.990 -6.271 0.959 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.774 -6.417 0.044 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.348 -5.599 2.021 1.00 0.69 N ATOM 0 H GLN A 338 99.086 -4.302 0.839 1.00 0.71 H new ATOM 0 HA GLN A 338 100.482 -5.504 -1.418 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.790 -6.045 -0.031 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.641 -7.193 -1.045 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.023 -6.616 1.793 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.639 -7.958 0.850 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.691 -5.475 2.791 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.284 -5.199 2.080 1.00 0.69 H new ATOM 336 N LEU A 339 97.463 -4.350 -2.062 1.00 0.86 N ATOM 337 CA LEU A 339 96.633 -3.970 -3.247 1.00 0.90 C ATOM 338 C LEU A 339 97.334 -2.863 -4.040 1.00 0.84 C ATOM 339 O LEU A 339 97.398 -2.904 -5.254 1.00 1.00 O ATOM 340 CB LEU A 339 95.264 -3.494 -2.727 1.00 0.80 C ATOM 341 CG LEU A 339 95.385 -2.800 -1.369 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.685 -1.447 -1.427 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.704 -3.668 -0.308 1.00 1.58 C ATOM 0 H LEU A 339 97.008 -4.262 -1.153 1.00 0.86 H new ATOM 0 HA LEU A 339 96.498 -4.820 -3.916 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.819 -2.808 -3.448 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.591 -4.347 -2.641 1.00 0.80 H new ATOM 0 HG LEU A 339 96.437 -2.658 -1.120 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.770 -0.951 -0.460 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.151 -0.829 -2.194 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.632 -1.592 -1.669 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.784 -3.183 0.665 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.652 -3.797 -0.564 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.190 -4.643 -0.269 1.00 1.58 H new ATOM 355 N ALA A 340 97.927 -1.917 -3.366 1.00 0.74 N ATOM 356 CA ALA A 340 98.699 -0.860 -4.080 1.00 0.93 C ATOM 357 C ALA A 340 99.944 -1.465 -4.734 1.00 1.36 C ATOM 358 O ALA A 340 100.589 -0.844 -5.555 1.00 2.24 O ATOM 359 CB ALA A 340 99.101 0.134 -2.991 1.00 0.82 C ATOM 0 H ALA A 340 97.911 -1.830 -2.350 1.00 0.74 H new ATOM 0 HA ALA A 340 98.119 -0.389 -4.874 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.675 0.947 -3.435 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.206 0.538 -2.519 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.709 -0.373 -2.242 1.00 0.82 H new ATOM 365 N SER A 341 100.278 -2.677 -4.386 1.00 1.07 N ATOM 366 CA SER A 341 101.475 -3.324 -5.001 1.00 1.44 C ATOM 367 C SER A 341 101.046 -4.250 -6.142 1.00 1.51 C ATOM 368 O SER A 341 101.846 -4.657 -6.960 1.00 2.65 O ATOM 369 CB SER A 341 102.130 -4.122 -3.871 1.00 2.84 C ATOM 370 OG SER A 341 101.386 -5.309 -3.643 1.00 3.56 O ATOM 0 H SER A 341 99.777 -3.247 -3.705 1.00 1.07 H new ATOM 0 HA SER A 341 102.164 -2.594 -5.427 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.159 -4.369 -4.133 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.168 -3.522 -2.961 1.00 2.84 H new ATOM 0 HG SER A 341 100.442 -5.148 -3.851 1.00 3.56 H new ATOM 376 N LEU A 342 99.787 -4.574 -6.214 1.00 1.19 N ATOM 377 CA LEU A 342 99.314 -5.457 -7.315 1.00 2.40 C ATOM 378 C LEU A 342 99.599 -4.805 -8.671 1.00 2.59 C ATOM 379 O LEU A 342 99.760 -5.473 -9.672 1.00 3.62 O ATOM 380 CB LEU A 342 97.806 -5.584 -7.102 1.00 3.39 C ATOM 381 CG LEU A 342 97.526 -6.171 -5.720 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.020 -6.388 -5.558 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.253 -7.511 -5.576 1.00 3.74 C ATOM 0 H LEU A 342 99.066 -4.267 -5.561 1.00 1.19 H new ATOM 0 HA LEU A 342 99.814 -6.426 -7.308 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.333 -4.606 -7.195 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.373 -6.222 -7.873 1.00 3.39 H new ATOM 0 HG LEU A 342 97.881 -5.483 -4.953 1.00 3.93 H new ATOM 0 HD11 LEU A 342 95.817 -6.807 -4.572 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.502 -5.435 -5.661 1.00 4.36 H new ATOM 0 HD13 LEU A 342 95.667 -7.077 -6.325 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.053 -7.929 -4.590 1.00 3.74 H new ATOM 0 HD22 LEU A 342 97.899 -8.201 -6.342 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.326 -7.358 -5.694 1.00 3.74 H new ATOM 395 N ALA A 343 99.576 -3.500 -8.722 1.00 2.04 N ATOM 396 CA ALA A 343 99.748 -2.798 -10.027 1.00 2.90 C ATOM 397 C ALA A 343 101.225 -2.482 -10.289 1.00 2.34 C ATOM 398 O ALA A 343 101.605 -2.151 -11.396 1.00 2.96 O ATOM 399 CB ALA A 343 98.939 -1.509 -9.889 1.00 3.81 C ATOM 0 H ALA A 343 99.445 -2.889 -7.916 1.00 2.04 H new ATOM 0 HA ALA A 343 99.412 -3.409 -10.865 1.00 2.90 H new ATOM 0 HB1 ALA A 343 99.014 -0.932 -10.811 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.894 -1.754 -9.698 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.331 -0.920 -9.060 1.00 3.81 H new ATOM 405 N ASP A 344 102.062 -2.563 -9.290 1.00 1.46 N ATOM 406 CA ASP A 344 103.503 -2.243 -9.512 1.00 1.77 C ATOM 407 C ASP A 344 104.195 -3.405 -10.234 1.00 1.92 C ATOM 408 O ASP A 344 103.987 -4.558 -9.913 1.00 1.99 O ATOM 409 CB ASP A 344 104.095 -2.021 -8.112 1.00 1.69 C ATOM 410 CG ASP A 344 104.407 -3.363 -7.442 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.209 -4.105 -7.984 1.00 1.89 O ATOM 412 OD2 ASP A 344 103.848 -3.620 -6.389 1.00 2.84 O ATOM 0 H ASP A 344 101.815 -2.834 -8.338 1.00 1.46 H new ATOM 0 HA ASP A 344 103.640 -1.362 -10.139 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.004 -1.425 -8.186 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.392 -1.456 -7.499 1.00 1.69 H new ATOM 460 N GLU A 348 110.401 -5.810 -6.234 1.00 1.76 N ATOM 461 CA GLU A 348 110.178 -5.542 -4.784 1.00 1.64 C ATOM 462 C GLU A 348 108.678 -5.488 -4.487 1.00 1.41 C ATOM 463 O GLU A 348 108.224 -5.904 -3.440 1.00 1.31 O ATOM 464 CB GLU A 348 110.824 -4.179 -4.529 1.00 1.72 C ATOM 465 CG GLU A 348 112.334 -4.279 -4.756 1.00 2.14 C ATOM 466 CD GLU A 348 112.987 -2.934 -4.434 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.258 -1.978 -4.228 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.205 -2.883 -4.401 1.00 2.49 O ATOM 0 HA GLU A 348 110.603 -6.319 -4.148 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.394 -3.431 -5.195 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.620 -3.853 -3.509 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.757 -5.061 -4.125 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.540 -4.557 -5.790 1.00 2.14 H new ATOM 475 N GLY A 349 107.902 -4.988 -5.407 1.00 1.42 N ATOM 476 CA GLY A 349 106.430 -4.919 -5.184 1.00 1.30 C ATOM 477 C GLY A 349 105.886 -6.322 -4.913 1.00 1.23 C ATOM 478 O GLY A 349 104.950 -6.499 -4.161 1.00 1.23 O ATOM 0 H GLY A 349 108.223 -4.624 -6.304 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.210 -4.264 -4.341 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.939 -4.490 -6.058 1.00 1.30 H new ATOM 482 N ARG A 350 106.556 -7.331 -5.398 1.00 1.19 N ATOM 483 CA ARG A 350 106.164 -8.720 -5.029 1.00 1.15 C ATOM 484 C ARG A 350 106.630 -9.021 -3.609 1.00 1.06 C ATOM 485 O ARG A 350 105.934 -9.642 -2.835 1.00 0.94 O ATOM 486 CB ARG A 350 106.883 -9.620 -6.030 1.00 1.18 C ATOM 487 CG ARG A 350 106.681 -9.064 -7.436 1.00 1.81 C ATOM 488 CD ARG A 350 107.282 -10.029 -8.461 1.00 2.33 C ATOM 489 NE ARG A 350 107.201 -9.307 -9.762 1.00 2.77 N ATOM 490 CZ ARG A 350 107.837 -9.764 -10.808 1.00 3.16 C ATOM 491 NH1 ARG A 350 108.550 -10.855 -10.720 1.00 3.46 N ATOM 492 NH2 ARG A 350 107.761 -9.126 -11.944 1.00 3.62 N ATOM 0 H ARG A 350 107.353 -7.255 -6.030 1.00 1.19 H new ATOM 0 HA ARG A 350 105.085 -8.871 -5.058 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.946 -9.670 -5.795 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.495 -10.637 -5.968 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.618 -8.924 -7.633 1.00 1.81 H new ATOM 0 HG3 ARG A 350 107.153 -8.085 -7.522 1.00 1.81 H new ATOM 0 HD2 ARG A 350 108.313 -10.278 -8.211 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.726 -10.966 -8.494 1.00 2.33 H new ATOM 0 HE ARG A 350 106.647 -8.454 -9.836 1.00 2.77 H new ATOM 0 HH11 ARG A 350 108.612 -11.354 -9.832 1.00 3.46 H new ATOM 0 HH12 ARG A 350 109.045 -11.208 -11.539 1.00 3.46 H new ATOM 0 HH21 ARG A 350 107.206 -8.273 -12.014 1.00 3.62 H new ATOM 0 HH22 ARG A 350 108.256 -9.480 -12.762 1.00 3.62 H new ATOM 506 N SER A 351 107.777 -8.536 -3.242 1.00 1.15 N ATOM 507 CA SER A 351 108.248 -8.748 -1.846 1.00 1.10 C ATOM 508 C SER A 351 107.186 -8.253 -0.860 1.00 0.97 C ATOM 509 O SER A 351 106.847 -8.925 0.091 1.00 0.87 O ATOM 510 CB SER A 351 109.523 -7.918 -1.723 1.00 1.25 C ATOM 511 OG SER A 351 110.160 -8.223 -0.491 1.00 2.40 O ATOM 0 H SER A 351 108.408 -8.005 -3.842 1.00 1.15 H new ATOM 0 HA SER A 351 108.430 -9.799 -1.624 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.193 -8.132 -2.556 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.286 -6.855 -1.770 1.00 1.25 H new ATOM 0 HG SER A 351 109.837 -9.087 -0.161 1.00 2.40 H new ATOM 517 N ILE A 352 106.631 -7.099 -1.104 1.00 1.00 N ATOM 518 CA ILE A 352 105.559 -6.575 -0.209 1.00 0.93 C ATOM 519 C ILE A 352 104.302 -7.462 -0.281 1.00 0.80 C ATOM 520 O ILE A 352 103.752 -7.847 0.732 1.00 0.70 O ATOM 521 CB ILE A 352 105.306 -5.154 -0.730 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.243 -4.192 0.000 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.854 -4.726 -0.492 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.290 -2.863 -0.747 1.00 1.39 C ATOM 0 H ILE A 352 106.874 -6.493 -1.888 1.00 1.00 H new ATOM 0 HA ILE A 352 105.839 -6.574 0.844 1.00 0.93 H new ATOM 0 HB ILE A 352 105.493 -5.135 -1.804 1.00 1.08 H new ATOM 0 HG12 ILE A 352 105.897 -4.035 1.022 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.243 -4.621 0.065 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.706 -3.715 -0.872 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.183 -5.411 -1.011 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.639 -4.747 0.576 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.958 -2.177 -0.227 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.656 -3.028 -1.760 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.289 -2.433 -0.789 1.00 1.39 H new ATOM 536 N VAL A 353 103.839 -7.790 -1.460 1.00 0.86 N ATOM 537 CA VAL A 353 102.617 -8.648 -1.558 1.00 0.82 C ATOM 538 C VAL A 353 102.835 -9.967 -0.805 1.00 0.77 C ATOM 539 O VAL A 353 101.949 -10.473 -0.144 1.00 0.77 O ATOM 540 CB VAL A 353 102.426 -8.918 -3.052 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.050 -9.551 -3.280 1.00 1.18 C ATOM 542 CG2 VAL A 353 102.515 -7.605 -3.831 1.00 1.10 C ATOM 0 H VAL A 353 104.248 -7.505 -2.350 1.00 0.86 H new ATOM 0 HA VAL A 353 101.745 -8.164 -1.119 1.00 0.82 H new ATOM 0 HB VAL A 353 103.206 -9.596 -3.399 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.910 -9.745 -4.344 1.00 1.18 H new ATOM 0 HG12 VAL A 353 100.985 -10.489 -2.729 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.274 -8.870 -2.930 1.00 1.18 H new ATOM 0 HG21 VAL A 353 102.378 -7.803 -4.894 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.737 -6.924 -3.486 1.00 1.10 H new ATOM 0 HG23 VAL A 353 103.493 -7.151 -3.669 1.00 1.10 H new ATOM 552 N ILE A 354 104.053 -10.429 -0.754 1.00 0.79 N ATOM 553 CA ILE A 354 104.369 -11.601 0.115 1.00 0.84 C ATOM 554 C ILE A 354 104.293 -11.211 1.590 1.00 0.72 C ATOM 555 O ILE A 354 103.730 -11.920 2.396 1.00 0.77 O ATOM 556 CB ILE A 354 105.794 -11.992 -0.258 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.845 -12.364 -1.743 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.237 -13.185 0.592 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.300 -12.381 -2.218 1.00 1.36 C ATOM 0 H ILE A 354 104.843 -10.048 -1.275 1.00 0.79 H new ATOM 0 HA ILE A 354 103.665 -12.420 -0.030 1.00 0.84 H new ATOM 0 HB ILE A 354 106.465 -11.153 -0.073 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.389 -13.342 -1.899 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.269 -11.647 -2.328 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.256 -13.464 0.324 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.200 -12.914 1.647 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.571 -14.028 0.411 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.335 -12.646 -3.275 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.740 -11.394 -2.077 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.862 -13.115 -1.641 1.00 1.36 H new ATOM 571 N LEU A 355 104.934 -10.146 1.968 1.00 0.63 N ATOM 572 CA LEU A 355 104.976 -9.790 3.413 1.00 0.62 C ATOM 573 C LEU A 355 103.573 -9.874 4.016 1.00 0.55 C ATOM 574 O LEU A 355 103.353 -10.531 5.005 1.00 0.61 O ATOM 575 CB LEU A 355 105.477 -8.353 3.458 1.00 0.64 C ATOM 576 CG LEU A 355 105.715 -7.952 4.915 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.843 -8.801 5.500 1.00 1.14 C ATOM 578 CD2 LEU A 355 106.099 -6.468 4.995 1.00 1.15 C ATOM 0 H LEU A 355 105.429 -9.508 1.345 1.00 0.63 H new ATOM 0 HA LEU A 355 105.616 -10.465 3.981 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.400 -8.258 2.886 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.748 -7.686 2.999 1.00 0.64 H new ATOM 0 HG LEU A 355 104.800 -8.116 5.484 1.00 0.73 H new ATOM 0 HD11 LEU A 355 107.013 -8.515 6.538 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.567 -9.854 5.454 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.755 -8.640 4.926 1.00 1.14 H new ATOM 0 HD21 LEU A 355 106.267 -6.191 6.036 1.00 1.15 H new ATOM 0 HD22 LEU A 355 107.011 -6.297 4.423 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.293 -5.861 4.583 1.00 1.15 H new ATOM 590 N ALA A 356 102.600 -9.302 3.373 1.00 0.52 N ATOM 591 CA ALA A 356 101.206 -9.468 3.871 1.00 0.54 C ATOM 592 C ALA A 356 100.808 -10.943 3.791 1.00 0.53 C ATOM 593 O ALA A 356 100.061 -11.454 4.609 1.00 0.57 O ATOM 594 CB ALA A 356 100.351 -8.623 2.930 1.00 0.61 C ATOM 0 H ALA A 356 102.704 -8.732 2.533 1.00 0.52 H new ATOM 0 HA ALA A 356 101.086 -9.158 4.909 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.305 -8.691 3.229 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.675 -7.584 2.978 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.461 -8.990 1.910 1.00 0.61 H new ATOM 755 N ARG A 365 94.434 -9.122 -4.957 1.00 1.36 N ATOM 756 CA ARG A 365 92.991 -9.011 -5.316 1.00 1.73 C ATOM 757 C ARG A 365 92.845 -8.630 -6.787 1.00 1.59 C ATOM 758 O ARG A 365 93.583 -7.815 -7.306 1.00 1.56 O ATOM 759 CB ARG A 365 92.437 -7.902 -4.420 1.00 1.83 C ATOM 760 CG ARG A 365 92.589 -8.304 -2.952 1.00 2.15 C ATOM 761 CD ARG A 365 91.841 -7.303 -2.068 1.00 2.41 C ATOM 762 NE ARG A 365 92.339 -5.965 -2.494 1.00 3.18 N ATOM 763 CZ ARG A 365 91.641 -4.891 -2.229 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.510 -4.983 -1.582 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.075 -3.721 -2.613 1.00 3.72 N ATOM 0 HA ARG A 365 92.458 -9.951 -5.173 1.00 1.73 H new ATOM 0 HB2 ARG A 365 92.968 -6.969 -4.609 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.387 -7.724 -4.652 1.00 1.83 H new ATOM 0 HG2 ARG A 365 92.195 -9.308 -2.796 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.644 -8.330 -2.678 1.00 2.15 H new ATOM 0 HD2 ARG A 365 90.763 -7.385 -2.205 1.00 2.41 H new ATOM 0 HD3 ARG A 365 92.043 -7.481 -1.012 1.00 2.41 H new ATOM 0 HE ARG A 365 93.225 -5.886 -2.993 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.167 -5.895 -1.281 1.00 4.16 H new ATOM 0 HH12 ARG A 365 89.969 -4.142 -1.378 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.957 -3.645 -3.119 1.00 3.72 H new ATOM 0 HH22 ARG A 365 91.532 -2.883 -2.407 1.00 3.72 H new ATOM 779 N ASP A 366 91.896 -9.211 -7.463 1.00 1.70 N ATOM 780 CA ASP A 366 91.701 -8.882 -8.900 1.00 1.93 C ATOM 781 C ASP A 366 91.077 -7.495 -9.038 1.00 2.04 C ATOM 782 O ASP A 366 89.972 -7.249 -8.598 1.00 2.65 O ATOM 783 CB ASP A 366 90.753 -9.959 -9.422 1.00 2.62 C ATOM 784 CG ASP A 366 91.481 -11.305 -9.452 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.688 -11.307 -9.276 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.818 -12.309 -9.650 1.00 2.86 O ATOM 0 H ASP A 366 91.247 -9.900 -7.082 1.00 1.70 H new ATOM 0 HA ASP A 366 92.638 -8.863 -9.457 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.872 -10.024 -8.784 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.404 -9.699 -10.422 1.00 2.62 H new ATOM 791 N VAL A 367 91.789 -6.585 -9.636 1.00 1.75 N ATOM 792 CA VAL A 367 91.262 -5.204 -9.798 1.00 2.31 C ATOM 793 C VAL A 367 90.111 -5.185 -10.809 1.00 2.53 C ATOM 794 O VAL A 367 89.091 -4.563 -10.587 1.00 3.04 O ATOM 795 CB VAL A 367 92.458 -4.406 -10.312 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.991 -3.048 -10.829 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.456 -4.202 -9.170 1.00 2.52 C ATOM 0 H VAL A 367 92.720 -6.739 -10.022 1.00 1.75 H new ATOM 0 HA VAL A 367 90.859 -4.793 -8.872 1.00 2.31 H new ATOM 0 HB VAL A 367 92.936 -4.953 -11.125 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.849 -2.483 -11.194 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.279 -3.193 -11.642 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.511 -2.496 -10.021 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.312 -3.633 -9.532 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.974 -3.656 -8.359 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.794 -5.172 -8.804 1.00 2.52 H new ATOM 807 N GLN A 368 90.268 -5.851 -11.919 1.00 2.20 N ATOM 808 CA GLN A 368 89.182 -5.857 -12.945 1.00 2.40 C ATOM 809 C GLN A 368 88.007 -6.725 -12.487 1.00 2.11 C ATOM 810 O GLN A 368 86.875 -6.487 -12.858 1.00 2.30 O ATOM 811 CB GLN A 368 89.815 -6.434 -14.209 1.00 2.46 C ATOM 812 CG GLN A 368 88.836 -6.272 -15.372 1.00 3.09 C ATOM 813 CD GLN A 368 89.500 -6.734 -16.672 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.680 -7.025 -16.695 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.787 -6.812 -17.762 1.00 3.69 N ATOM 0 H GLN A 368 91.099 -6.391 -12.162 1.00 2.20 H new ATOM 0 HA GLN A 368 88.784 -4.856 -13.113 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.751 -5.921 -14.430 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.056 -7.487 -14.063 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.934 -6.855 -15.185 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.529 -5.230 -15.459 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.797 -6.568 -17.742 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.220 -7.117 -18.634 1.00 3.69 H new ATOM 824 N SER A 369 88.232 -7.601 -11.546 1.00 1.80 N ATOM 825 CA SER A 369 87.083 -8.314 -10.920 1.00 1.87 C ATOM 826 C SER A 369 86.322 -7.349 -10.012 1.00 1.79 C ATOM 827 O SER A 369 85.110 -7.387 -9.925 1.00 2.27 O ATOM 828 CB SER A 369 87.696 -9.460 -10.120 1.00 2.47 C ATOM 829 OG SER A 369 86.663 -10.178 -9.459 1.00 3.05 O ATOM 0 H SER A 369 89.153 -7.852 -11.186 1.00 1.80 H new ATOM 0 HA SER A 369 86.373 -8.692 -11.655 1.00 1.87 H new ATOM 0 HB2 SER A 369 88.250 -10.125 -10.782 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.407 -9.070 -9.392 1.00 2.47 H new ATOM 0 HG SER A 369 87.054 -10.916 -8.946 1.00 3.05 H new ATOM 835 N LEU A 370 87.009 -6.385 -9.471 1.00 1.38 N ATOM 836 CA LEU A 370 86.315 -5.299 -8.725 1.00 1.39 C ATOM 837 C LEU A 370 85.928 -4.176 -9.691 1.00 1.12 C ATOM 838 O LEU A 370 85.548 -3.098 -9.279 1.00 1.30 O ATOM 839 CB LEU A 370 87.348 -4.798 -7.717 1.00 1.54 C ATOM 840 CG LEU A 370 87.880 -5.977 -6.901 1.00 1.39 C ATOM 841 CD1 LEU A 370 89.076 -5.518 -6.067 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.779 -6.491 -5.971 1.00 2.14 C ATOM 0 H LEU A 370 88.025 -6.301 -9.513 1.00 1.38 H new ATOM 0 HA LEU A 370 85.401 -5.640 -8.240 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.168 -4.303 -8.237 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.897 -4.058 -7.055 1.00 1.54 H new ATOM 0 HG LEU A 370 88.190 -6.776 -7.575 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.457 -6.357 -5.484 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.860 -5.149 -6.728 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.765 -4.720 -5.393 1.00 1.80 H new ATOM 0 HD21 LEU A 370 87.157 -7.331 -5.389 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.470 -5.692 -5.297 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.924 -6.816 -6.564 1.00 2.14 H new ATOM 854 N HIS A 371 86.177 -4.361 -10.962 1.00 1.29 N ATOM 855 CA HIS A 371 85.992 -3.236 -11.917 1.00 1.13 C ATOM 856 C HIS A 371 86.913 -2.090 -11.508 1.00 1.00 C ATOM 857 O HIS A 371 86.662 -0.934 -11.785 1.00 1.35 O ATOM 858 CB HIS A 371 84.531 -2.826 -11.771 1.00 1.54 C ATOM 859 CG HIS A 371 83.936 -2.578 -13.129 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.912 -1.319 -13.707 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.339 -3.419 -14.037 1.00 1.80 C ATOM 862 CE1 HIS A 371 83.319 -1.437 -14.910 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.950 -2.696 -15.160 1.00 1.80 N ATOM 0 H HIS A 371 86.498 -5.237 -11.374 1.00 1.29 H new ATOM 0 HA HIS A 371 86.228 -3.506 -12.946 1.00 1.13 H new ATOM 0 HB2 HIS A 371 83.973 -3.609 -11.256 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.455 -1.926 -11.160 1.00 1.54 H new ATOM 0 HD2 HIS A 371 83.194 -4.480 -13.900 1.00 1.80 H new ATOM 0 HE1 HIS A 371 83.161 -0.613 -15.590 1.00 2.10 H new ATOM 0 HE2 HIS A 371 82.483 -3.051 -15.995 1.00 1.80 H new ATOM 871 N ALA A 372 87.972 -2.417 -10.828 1.00 0.75 N ATOM 872 CA ALA A 372 88.925 -1.375 -10.360 1.00 0.94 C ATOM 873 C ALA A 372 90.017 -1.141 -11.411 1.00 0.90 C ATOM 874 O ALA A 372 89.885 -1.520 -12.558 1.00 1.04 O ATOM 875 CB ALA A 372 89.526 -1.945 -9.075 1.00 1.12 C ATOM 0 H ALA A 372 88.222 -3.373 -10.573 1.00 0.75 H new ATOM 0 HA ALA A 372 88.440 -0.413 -10.193 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.243 -1.235 -8.663 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.732 -2.122 -8.349 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.032 -2.885 -9.296 1.00 1.12 H new ATOM 881 N THR A 373 91.074 -0.484 -11.028 1.00 0.85 N ATOM 882 CA THR A 373 92.171 -0.170 -11.992 1.00 0.95 C ATOM 883 C THR A 373 93.540 -0.357 -11.329 1.00 0.93 C ATOM 884 O THR A 373 93.751 0.048 -10.208 1.00 0.95 O ATOM 885 CB THR A 373 91.967 1.299 -12.351 1.00 1.32 C ATOM 886 OG1 THR A 373 90.745 1.452 -13.057 1.00 2.11 O ATOM 887 CG2 THR A 373 93.132 1.787 -13.214 1.00 1.90 C ATOM 0 H THR A 373 91.229 -0.146 -10.078 1.00 0.85 H new ATOM 0 HA THR A 373 92.145 -0.823 -12.865 1.00 0.95 H new ATOM 0 HB THR A 373 91.929 1.892 -11.437 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.615 2.396 -13.285 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.982 2.836 -13.468 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.065 1.677 -12.661 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.180 1.196 -14.128 1.00 1.90 H new ATOM 895 N PHE A 374 94.504 -0.833 -12.060 1.00 1.01 N ATOM 896 CA PHE A 374 95.897 -0.882 -11.517 1.00 1.25 C ATOM 897 C PHE A 374 96.617 0.439 -11.820 1.00 1.63 C ATOM 898 O PHE A 374 96.499 0.980 -12.902 1.00 1.61 O ATOM 899 CB PHE A 374 96.591 -2.020 -12.275 1.00 1.33 C ATOM 900 CG PHE A 374 96.106 -3.367 -11.789 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.415 -3.803 -10.492 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.361 -4.192 -12.647 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.979 -5.060 -10.053 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.928 -5.450 -12.207 1.00 3.09 C ATOM 905 CZ PHE A 374 95.235 -5.884 -10.910 1.00 2.72 C ATOM 0 H PHE A 374 94.394 -1.191 -13.009 1.00 1.01 H new ATOM 0 HA PHE A 374 95.907 -1.037 -10.438 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.396 -1.923 -13.343 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.670 -1.947 -12.140 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.989 -3.170 -9.832 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.122 -3.857 -13.646 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.216 -5.395 -9.054 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.357 -6.086 -12.868 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.899 -6.853 -10.571 1.00 2.72 H new ATOM 915 N VAL A 375 97.454 0.898 -10.929 1.00 2.14 N ATOM 916 CA VAL A 375 98.282 2.102 -11.237 1.00 2.61 C ATOM 917 C VAL A 375 99.760 1.708 -11.323 1.00 2.22 C ATOM 918 O VAL A 375 100.347 1.308 -10.337 1.00 1.65 O ATOM 919 CB VAL A 375 98.053 3.060 -10.069 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.703 4.409 -10.381 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.551 3.254 -9.857 1.00 3.65 C ATOM 0 H VAL A 375 97.601 0.494 -10.004 1.00 2.14 H new ATOM 0 HA VAL A 375 98.011 2.557 -12.190 1.00 2.61 H new ATOM 0 HB VAL A 375 98.497 2.644 -9.165 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.540 5.093 -9.548 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.774 4.271 -10.533 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.259 4.826 -11.285 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.386 3.937 -9.024 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.107 3.670 -10.761 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.088 2.293 -9.635 1.00 3.65 H new ATOM 931 N PRO A 376 100.285 1.753 -12.517 1.00 2.87 N ATOM 932 CA PRO A 376 101.677 1.297 -12.763 1.00 2.67 C ATOM 933 C PRO A 376 102.668 2.020 -11.841 1.00 2.48 C ATOM 934 O PRO A 376 102.451 3.143 -11.431 1.00 3.24 O ATOM 935 CB PRO A 376 101.940 1.653 -14.230 1.00 3.84 C ATOM 936 CG PRO A 376 100.795 2.521 -14.658 1.00 4.63 C ATOM 937 CD PRO A 376 99.641 2.228 -13.741 1.00 4.03 C ATOM 0 HA PRO A 376 101.803 0.233 -12.562 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.889 2.178 -14.340 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.999 0.755 -14.845 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.071 3.574 -14.603 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.524 2.316 -15.694 1.00 4.63 H new ATOM 0 HD2 PRO A 376 99.039 3.118 -13.558 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.976 1.474 -14.162 1.00 4.03 H new ATOM 945 N PHE A 377 103.770 1.384 -11.547 1.00 2.13 N ATOM 946 CA PHE A 377 104.813 2.020 -10.687 1.00 3.07 C ATOM 947 C PHE A 377 105.869 2.697 -11.565 1.00 3.61 C ATOM 948 O PHE A 377 106.539 2.057 -12.352 1.00 4.10 O ATOM 949 CB PHE A 377 105.428 0.848 -9.910 1.00 3.15 C ATOM 950 CG PHE A 377 106.542 1.333 -9.002 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.744 2.705 -8.789 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.386 0.400 -8.382 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.783 3.141 -7.958 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.428 0.838 -7.552 1.00 5.70 C ATOM 955 CZ PHE A 377 108.626 2.208 -7.341 1.00 5.79 C ATOM 0 H PHE A 377 103.995 0.442 -11.868 1.00 2.13 H new ATOM 0 HA PHE A 377 104.410 2.788 -10.027 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.658 0.354 -9.317 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.818 0.107 -10.608 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.097 3.426 -9.267 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.233 -0.657 -8.544 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.935 4.197 -7.793 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.078 0.119 -7.076 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.429 2.545 -6.702 1.00 5.79 H new ATOM 965 N THR A 378 106.065 3.974 -11.390 1.00 3.85 N ATOM 966 CA THR A 378 107.128 4.676 -12.163 1.00 4.47 C ATOM 967 C THR A 378 108.256 5.101 -11.222 1.00 4.28 C ATOM 968 O THR A 378 108.017 5.510 -10.103 1.00 3.71 O ATOM 969 CB THR A 378 106.440 5.902 -12.766 1.00 4.59 C ATOM 970 OG1 THR A 378 106.181 6.849 -11.739 1.00 4.26 O ATOM 971 CG2 THR A 378 105.123 5.480 -13.418 1.00 5.29 C ATOM 0 H THR A 378 105.536 4.562 -10.746 1.00 3.85 H new ATOM 0 HA THR A 378 107.571 4.043 -12.933 1.00 4.47 H new ATOM 0 HB THR A 378 107.088 6.350 -13.519 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.742 7.636 -12.123 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.633 6.354 -13.847 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.323 4.753 -14.205 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.472 5.032 -12.667 1.00 5.29 H new ATOM 979 N ALA A 379 109.479 4.968 -11.655 1.00 5.01 N ATOM 980 CA ALA A 379 110.628 5.322 -10.775 1.00 5.10 C ATOM 981 C ALA A 379 110.775 6.842 -10.673 1.00 5.05 C ATOM 982 O ALA A 379 111.262 7.362 -9.688 1.00 5.37 O ATOM 983 CB ALA A 379 111.851 4.710 -11.456 1.00 6.13 C ATOM 0 H ALA A 379 109.733 4.629 -12.583 1.00 5.01 H new ATOM 0 HA ALA A 379 110.497 4.950 -9.759 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.742 4.927 -10.867 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.722 3.630 -11.534 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.963 5.135 -12.454 1.00 6.13 H new ATOM 989 N GLN A 380 110.414 7.557 -11.704 1.00 4.87 N ATOM 990 CA GLN A 380 110.601 9.038 -11.680 1.00 4.93 C ATOM 991 C GLN A 380 109.847 9.640 -10.492 1.00 4.05 C ATOM 992 O GLN A 380 110.403 10.377 -9.703 1.00 3.84 O ATOM 993 CB GLN A 380 110.006 9.535 -12.998 1.00 5.65 C ATOM 994 CG GLN A 380 110.798 8.953 -14.170 1.00 6.07 C ATOM 995 CD GLN A 380 110.274 9.540 -15.482 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.617 10.648 -15.845 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.448 8.841 -16.211 1.00 7.22 N ATOM 0 H GLN A 380 110.000 7.183 -12.558 1.00 4.87 H new ATOM 0 HA GLN A 380 111.648 9.322 -11.574 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.959 9.239 -13.071 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.033 10.624 -13.033 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.858 9.181 -14.055 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.705 7.867 -14.182 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.160 7.911 -15.906 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.090 9.224 -17.086 1.00 7.22 H new ATOM 1006 N SER A 381 108.624 9.236 -10.295 1.00 3.64 N ATOM 1007 CA SER A 381 107.882 9.680 -9.083 1.00 3.06 C ATOM 1008 C SER A 381 108.095 8.675 -7.952 1.00 2.42 C ATOM 1009 O SER A 381 107.774 8.933 -6.811 1.00 3.00 O ATOM 1010 CB SER A 381 106.414 9.711 -9.506 1.00 3.49 C ATOM 1011 OG SER A 381 105.927 8.379 -9.610 1.00 3.82 O ATOM 0 H SER A 381 108.106 8.618 -10.920 1.00 3.64 H new ATOM 0 HA SER A 381 108.217 10.651 -8.719 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.826 10.270 -8.778 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.310 10.224 -10.462 1.00 3.49 H new ATOM 0 HG SER A 381 106.339 7.940 -10.383 1.00 3.82 H new ATOM 1017 N ARG A 382 108.620 7.523 -8.270 1.00 1.65 N ATOM 1018 CA ARG A 382 108.835 6.485 -7.222 1.00 1.74 C ATOM 1019 C ARG A 382 107.504 6.137 -6.556 1.00 1.57 C ATOM 1020 O ARG A 382 107.376 6.188 -5.348 1.00 2.08 O ATOM 1021 CB ARG A 382 109.782 7.131 -6.209 1.00 2.53 C ATOM 1022 CG ARG A 382 111.031 7.641 -6.929 1.00 2.69 C ATOM 1023 CD ARG A 382 112.052 8.127 -5.899 1.00 2.89 C ATOM 1024 NE ARG A 382 113.103 8.818 -6.697 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.069 9.462 -6.097 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.121 9.502 -4.792 1.00 3.72 N ATOM 1027 NH2 ARG A 382 114.983 10.068 -6.802 1.00 4.25 N ATOM 0 H ARG A 382 108.909 7.256 -9.211 1.00 1.65 H new ATOM 0 HA ARG A 382 109.245 5.562 -7.631 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.281 7.955 -5.701 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.061 6.407 -5.443 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.463 6.846 -7.537 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.767 8.453 -7.606 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.594 8.804 -5.178 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.469 7.294 -5.333 1.00 2.89 H new ATOM 0 HE ARG A 382 113.069 8.788 -7.716 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.406 9.030 -4.238 1.00 3.72 H new ATOM 0 HH12 ARG A 382 114.876 10.006 -4.327 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.944 10.039 -7.821 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.737 10.571 -6.335 1.00 4.25 H new ATOM 1041 N MET A 383 106.505 5.793 -7.325 1.00 1.27 N ATOM 1042 CA MET A 383 105.195 5.461 -6.705 1.00 1.19 C ATOM 1043 C MET A 383 104.408 4.475 -7.563 1.00 1.07 C ATOM 1044 O MET A 383 104.398 4.548 -8.776 1.00 1.14 O ATOM 1045 CB MET A 383 104.440 6.784 -6.603 1.00 1.32 C ATOM 1046 CG MET A 383 105.132 7.691 -5.587 1.00 1.51 C ATOM 1047 SD MET A 383 104.055 9.095 -5.206 1.00 2.09 S ATOM 1048 CE MET A 383 103.706 9.576 -6.913 1.00 1.57 C ATOM 0 H MET A 383 106.540 5.729 -8.342 1.00 1.27 H new ATOM 0 HA MET A 383 105.333 4.988 -5.733 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.406 7.271 -7.577 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.408 6.603 -6.301 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.356 7.133 -4.678 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.082 8.045 -5.986 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.584 10.658 -6.969 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.533 9.270 -7.554 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.789 9.090 -7.248 1.00 1.57 H new ATOM 1058 N SER A 384 103.615 3.679 -6.916 1.00 0.97 N ATOM 1059 CA SER A 384 102.647 2.807 -7.626 1.00 1.02 C ATOM 1060 C SER A 384 101.386 2.722 -6.773 1.00 0.93 C ATOM 1061 O SER A 384 101.380 3.150 -5.640 1.00 0.83 O ATOM 1062 CB SER A 384 103.333 1.448 -7.718 1.00 1.23 C ATOM 1063 OG SER A 384 103.208 0.773 -6.472 1.00 1.18 O ATOM 0 H SER A 384 103.596 3.593 -5.900 1.00 0.97 H new ATOM 0 HA SER A 384 102.369 3.170 -8.615 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.883 0.854 -8.513 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.385 1.575 -7.972 1.00 1.23 H new ATOM 0 HG SER A 384 104.047 0.310 -6.265 1.00 1.18 H new ATOM 1069 N GLY A 385 100.303 2.244 -7.300 1.00 1.02 N ATOM 1070 CA GLY A 385 99.060 2.231 -6.486 1.00 1.00 C ATOM 1071 C GLY A 385 97.955 1.497 -7.221 1.00 0.95 C ATOM 1072 O GLY A 385 98.176 0.795 -8.187 1.00 1.13 O ATOM 0 H GLY A 385 100.220 1.866 -8.244 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.251 1.749 -5.527 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.747 3.253 -6.272 1.00 1.00 H new ATOM 1076 N ILE A 386 96.765 1.644 -6.743 1.00 0.80 N ATOM 1077 CA ILE A 386 95.611 0.957 -7.358 1.00 0.78 C ATOM 1078 C ILE A 386 94.356 1.786 -7.118 1.00 0.77 C ATOM 1079 O ILE A 386 94.207 2.417 -6.094 1.00 0.80 O ATOM 1080 CB ILE A 386 95.526 -0.382 -6.632 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.189 -1.049 -6.929 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.647 -0.171 -5.124 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.161 -2.394 -6.215 1.00 1.26 C ATOM 0 H ILE A 386 96.537 2.223 -5.935 1.00 0.80 H new ATOM 0 HA ILE A 386 95.712 0.822 -8.435 1.00 0.78 H new ATOM 0 HB ILE A 386 96.341 -1.017 -6.979 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.366 -0.420 -6.588 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.062 -1.186 -8.003 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.585 -1.133 -4.616 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.605 0.298 -4.898 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.838 0.473 -4.781 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.212 -2.891 -6.413 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.979 -3.016 -6.578 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.272 -2.239 -5.142 1.00 1.26 H new ATOM 1095 N ASN A 387 93.425 1.730 -8.010 1.00 0.78 N ATOM 1096 CA ASN A 387 92.144 2.446 -7.785 1.00 0.83 C ATOM 1097 C ASN A 387 91.017 1.425 -7.780 1.00 0.92 C ATOM 1098 O ASN A 387 91.029 0.488 -8.543 1.00 0.86 O ATOM 1099 CB ASN A 387 91.993 3.398 -8.974 1.00 0.91 C ATOM 1100 CG ASN A 387 93.330 4.081 -9.262 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.148 4.322 -8.279 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.634 4.395 -10.396 1.00 1.81 N flip ATOM 0 H ASN A 387 93.490 1.219 -8.890 1.00 0.78 H new ATOM 0 HA ASN A 387 92.120 2.989 -6.840 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.659 2.847 -9.853 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.231 4.147 -8.758 1.00 0.91 H new ATOM 0 HD21 ASN A 387 92.993 4.206 -11.167 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.530 4.847 -10.577 1.00 1.81 H new ATOM 1109 N ILE A 388 90.018 1.612 -6.980 1.00 1.18 N ATOM 1110 CA ILE A 388 88.883 0.653 -7.020 1.00 1.31 C ATOM 1111 C ILE A 388 87.572 1.380 -6.758 1.00 1.70 C ATOM 1112 O ILE A 388 87.556 2.537 -6.386 1.00 1.89 O ATOM 1113 CB ILE A 388 89.180 -0.361 -5.924 1.00 1.24 C ATOM 1114 CG1 ILE A 388 88.068 -1.409 -5.881 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.255 0.357 -4.583 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.655 -2.747 -5.438 1.00 2.11 C ATOM 0 H ILE A 388 89.933 2.374 -6.307 1.00 1.18 H new ATOM 0 HA ILE A 388 88.780 0.170 -7.992 1.00 1.31 H new ATOM 0 HB ILE A 388 90.131 -0.853 -6.129 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.284 -1.096 -5.191 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.607 -1.508 -6.864 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.468 -0.365 -3.795 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.048 1.104 -4.614 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.303 0.847 -4.379 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.866 -3.498 -5.406 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.424 -3.059 -6.145 1.00 2.11 H new ATOM 0 HD13 ILE A 388 89.095 -2.641 -4.447 1.00 2.11 H new ATOM 1128 N ASP A 389 86.474 0.756 -7.075 1.00 1.97 N ATOM 1129 CA ASP A 389 85.158 1.452 -7.007 1.00 2.37 C ATOM 1130 C ASP A 389 84.771 1.893 -5.578 1.00 2.14 C ATOM 1131 O ASP A 389 83.701 2.433 -5.375 1.00 2.92 O ATOM 1132 CB ASP A 389 84.172 0.403 -7.507 1.00 2.65 C ATOM 1133 CG ASP A 389 84.349 0.211 -9.015 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.076 0.990 -9.609 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.754 -0.710 -9.549 1.00 3.63 O ATOM 0 H ASP A 389 86.430 -0.216 -7.381 1.00 1.97 H new ATOM 0 HA ASP A 389 85.173 2.373 -7.590 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.336 -0.541 -6.988 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.151 0.715 -7.287 1.00 2.65 H new ATOM 1140 N ASN A 390 85.642 1.777 -4.608 1.00 1.20 N ATOM 1141 CA ASN A 390 85.307 2.316 -3.257 1.00 1.12 C ATOM 1142 C ASN A 390 86.544 2.920 -2.571 1.00 0.97 C ATOM 1143 O ASN A 390 86.493 3.278 -1.410 1.00 1.15 O ATOM 1144 CB ASN A 390 84.799 1.108 -2.469 1.00 1.13 C ATOM 1145 CG ASN A 390 84.074 1.586 -1.210 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.894 2.771 -1.013 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.647 0.708 -0.344 1.00 1.89 N ATOM 0 H ASN A 390 86.559 1.338 -4.691 1.00 1.20 H new ATOM 0 HA ASN A 390 84.571 3.118 -3.316 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.124 0.515 -3.087 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.633 0.461 -2.197 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.162 1.017 0.498 1.00 1.89 H new ATOM 0 HD22 ASN A 390 83.798 -0.287 -0.510 1.00 1.89 H new ATOM 1154 N ARG A 391 87.685 2.921 -3.218 1.00 0.83 N ATOM 1155 CA ARG A 391 88.926 3.365 -2.517 1.00 0.73 C ATOM 1156 C ARG A 391 89.990 3.825 -3.517 1.00 0.74 C ATOM 1157 O ARG A 391 90.073 3.319 -4.616 1.00 1.10 O ATOM 1158 CB ARG A 391 89.424 2.126 -1.766 1.00 0.94 C ATOM 1159 CG ARG A 391 88.417 1.732 -0.683 1.00 1.05 C ATOM 1160 CD ARG A 391 89.023 0.640 0.202 1.00 1.30 C ATOM 1161 NE ARG A 391 87.899 0.171 1.060 1.00 1.92 N ATOM 1162 CZ ARG A 391 88.116 -0.692 2.016 1.00 2.13 C ATOM 1163 NH1 ARG A 391 89.321 -1.149 2.230 1.00 2.15 N ATOM 1164 NH2 ARG A 391 87.125 -1.100 2.761 1.00 2.69 N ATOM 0 H ARG A 391 87.808 2.637 -4.190 1.00 0.83 H new ATOM 0 HA ARG A 391 88.728 4.208 -1.855 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.563 1.300 -2.463 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.395 2.330 -1.315 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.156 2.602 -0.080 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.495 1.374 -1.141 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.428 -0.175 -0.398 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.843 1.030 0.805 1.00 1.30 H new ATOM 0 HE ARG A 391 86.956 0.525 0.900 1.00 1.92 H new ATOM 0 HH11 ARG A 391 90.097 -0.832 1.649 1.00 2.15 H new ATOM 0 HH12 ARG A 391 89.486 -1.823 2.978 1.00 2.15 H new ATOM 0 HH21 ARG A 391 86.183 -0.745 2.596 1.00 2.69 H new ATOM 0 HH22 ARG A 391 87.292 -1.774 3.508 1.00 2.69 H new ATOM 1178 N MET A 392 90.951 4.569 -3.048 1.00 0.48 N ATOM 1179 CA MET A 392 92.176 4.802 -3.867 1.00 0.51 C ATOM 1180 C MET A 392 93.411 4.508 -3.009 1.00 0.48 C ATOM 1181 O MET A 392 93.423 4.782 -1.825 1.00 0.52 O ATOM 1182 CB MET A 392 92.125 6.279 -4.260 1.00 0.59 C ATOM 1183 CG MET A 392 90.887 6.537 -5.121 1.00 1.14 C ATOM 1184 SD MET A 392 90.938 8.230 -5.760 1.00 1.31 S ATOM 1185 CE MET A 392 92.260 7.977 -6.969 1.00 2.02 C ATOM 0 H MET A 392 90.943 5.026 -2.136 1.00 0.48 H new ATOM 0 HA MET A 392 92.226 4.163 -4.748 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.096 6.903 -3.367 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.026 6.551 -4.810 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.851 5.826 -5.947 1.00 1.14 H new ATOM 0 HG3 MET A 392 89.983 6.387 -4.531 1.00 1.14 H new ATOM 0 HE1 MET A 392 91.942 8.355 -7.941 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.154 8.511 -6.647 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.482 6.913 -7.048 1.00 2.02 H new ATOM 1195 N ILE A 393 94.423 3.894 -3.563 1.00 0.45 N ATOM 1196 CA ILE A 393 95.602 3.527 -2.725 1.00 0.45 C ATOM 1197 C ILE A 393 96.896 3.957 -3.415 1.00 0.50 C ATOM 1198 O ILE A 393 97.051 3.799 -4.608 1.00 0.60 O ATOM 1199 CB ILE A 393 95.532 2.008 -2.596 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.135 1.612 -2.101 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.601 1.530 -1.604 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.018 1.874 -0.598 1.00 1.68 C ATOM 0 H ILE A 393 94.485 3.633 -4.547 1.00 0.45 H new ATOM 0 HA ILE A 393 95.591 4.018 -1.752 1.00 0.45 H new ATOM 0 HB ILE A 393 95.716 1.542 -3.564 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.375 2.180 -2.638 1.00 1.21 H new ATOM 0 HG13 ILE A 393 93.951 0.558 -2.310 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.552 0.445 -1.511 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.588 1.819 -1.965 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.423 1.986 -0.630 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.023 1.590 -0.256 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.766 1.286 -0.067 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.181 2.933 -0.400 1.00 1.68 H new ATOM 1214 N ARG A 394 97.851 4.434 -2.665 1.00 0.63 N ATOM 1215 CA ARG A 394 99.160 4.802 -3.281 1.00 0.72 C ATOM 1216 C ARG A 394 100.323 4.445 -2.350 1.00 0.60 C ATOM 1217 O ARG A 394 100.258 4.643 -1.157 1.00 0.54 O ATOM 1218 CB ARG A 394 99.087 6.313 -3.499 1.00 0.78 C ATOM 1219 CG ARG A 394 98.027 6.624 -4.557 1.00 1.27 C ATOM 1220 CD ARG A 394 98.522 6.156 -5.927 1.00 1.04 C ATOM 1221 NE ARG A 394 97.470 6.594 -6.886 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.749 6.722 -8.156 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.952 6.466 -8.596 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.820 7.105 -8.990 1.00 2.09 N ATOM 0 H ARG A 394 97.784 4.585 -1.658 1.00 0.63 H new ATOM 0 HA ARG A 394 99.335 4.262 -4.212 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.841 6.815 -2.563 1.00 0.78 H new ATOM 0 HB3 ARG A 394 100.058 6.693 -3.818 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.091 6.125 -4.307 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.822 7.694 -4.578 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.488 6.599 -6.171 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.653 5.074 -5.951 1.00 1.04 H new ATOM 0 HE ARG A 394 96.528 6.795 -6.550 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.679 6.165 -7.947 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.164 6.568 -9.588 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.879 7.303 -8.649 1.00 2.09 H new ATOM 0 HH22 ARG A 394 97.035 7.206 -9.982 1.00 2.09 H new ATOM 1238 N LYS A 395 101.411 3.991 -2.904 1.00 0.63 N ATOM 1239 CA LYS A 395 102.621 3.699 -2.083 1.00 0.58 C ATOM 1240 C LYS A 395 103.874 4.065 -2.878 1.00 0.60 C ATOM 1241 O LYS A 395 103.921 3.896 -4.076 1.00 0.68 O ATOM 1242 CB LYS A 395 102.575 2.193 -1.838 1.00 0.72 C ATOM 1243 CG LYS A 395 103.545 1.825 -0.715 1.00 0.80 C ATOM 1244 CD LYS A 395 104.896 1.452 -1.320 1.00 1.11 C ATOM 1245 CE LYS A 395 104.709 0.289 -2.297 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.031 -0.388 -2.336 1.00 1.57 N ATOM 0 H LYS A 395 101.516 3.807 -3.902 1.00 0.63 H new ATOM 0 HA LYS A 395 102.643 4.264 -1.151 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.563 1.889 -1.572 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.839 1.658 -2.750 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.660 2.664 -0.028 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.150 0.991 -0.136 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.326 2.310 -1.837 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.595 1.171 -0.532 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.926 -0.390 -1.959 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.417 0.645 -3.285 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 105.977 -1.219 -2.959 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.748 0.272 -2.699 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.294 -0.691 -1.377 1.00 1.57 H new ATOM 1260 N GLY A 396 104.892 4.558 -2.233 1.00 0.56 N ATOM 1261 CA GLY A 396 106.131 4.917 -2.989 1.00 0.60 C ATOM 1262 C GLY A 396 107.150 5.578 -2.062 1.00 0.55 C ATOM 1263 O GLY A 396 107.169 5.334 -0.871 1.00 0.82 O ATOM 0 H GLY A 396 104.925 4.728 -1.228 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.564 4.022 -3.436 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.882 5.593 -3.807 1.00 0.60 H new ATOM 1267 N SER A 397 108.017 6.390 -2.608 1.00 0.50 N ATOM 1268 CA SER A 397 109.063 7.038 -1.768 1.00 0.60 C ATOM 1269 C SER A 397 108.439 8.074 -0.832 1.00 0.48 C ATOM 1270 O SER A 397 107.350 8.559 -1.062 1.00 0.61 O ATOM 1271 CB SER A 397 110.032 7.694 -2.754 1.00 0.91 C ATOM 1272 OG SER A 397 110.987 6.731 -3.181 1.00 1.17 O ATOM 0 H SER A 397 108.045 6.631 -3.599 1.00 0.50 H new ATOM 0 HA SER A 397 109.574 6.318 -1.129 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.486 8.088 -3.611 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.535 8.538 -2.281 1.00 0.91 H new ATOM 0 HG SER A 397 111.871 7.150 -3.239 1.00 1.17 H new ATOM 1278 N VAL A 398 109.078 8.337 0.276 1.00 0.53 N ATOM 1279 CA VAL A 398 108.470 9.247 1.287 1.00 0.47 C ATOM 1280 C VAL A 398 108.258 10.635 0.691 1.00 0.51 C ATOM 1281 O VAL A 398 107.158 11.144 0.670 1.00 0.51 O ATOM 1282 CB VAL A 398 109.481 9.304 2.427 1.00 0.46 C ATOM 1283 CG1 VAL A 398 108.959 10.232 3.524 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.678 7.898 2.993 1.00 0.51 C ATOM 0 H VAL A 398 109.993 7.961 0.524 1.00 0.53 H new ATOM 0 HA VAL A 398 107.495 8.895 1.623 1.00 0.47 H new ATOM 0 HB VAL A 398 110.433 9.685 2.057 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.681 10.273 4.340 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.815 11.232 3.116 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.009 9.853 3.900 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.400 7.932 3.809 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.726 7.519 3.366 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.048 7.238 2.208 1.00 0.51 H new ATOM 1294 N ASP A 399 109.264 11.191 0.080 1.00 0.55 N ATOM 1295 CA ASP A 399 109.053 12.468 -0.649 1.00 0.62 C ATOM 1296 C ASP A 399 108.013 12.247 -1.745 1.00 0.64 C ATOM 1297 O ASP A 399 107.196 13.097 -2.030 1.00 0.64 O ATOM 1298 CB ASP A 399 110.414 12.817 -1.253 1.00 0.71 C ATOM 1299 CG ASP A 399 110.813 11.748 -2.272 1.00 1.10 C ATOM 1300 OD1 ASP A 399 110.388 10.616 -2.112 1.00 1.59 O ATOM 1301 OD2 ASP A 399 111.540 12.079 -3.195 1.00 1.46 O ATOM 0 H ASP A 399 110.214 10.821 0.054 1.00 0.55 H new ATOM 0 HA ASP A 399 108.690 13.270 -0.006 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.370 13.794 -1.734 1.00 0.71 H new ATOM 0 HB3 ASP A 399 111.166 12.883 -0.467 1.00 0.71 H new ATOM 1306 N ALA A 400 108.013 11.083 -2.331 1.00 0.70 N ATOM 1307 CA ALA A 400 107.005 10.773 -3.380 1.00 0.76 C ATOM 1308 C ALA A 400 105.584 10.833 -2.802 1.00 0.72 C ATOM 1309 O ALA A 400 104.709 11.470 -3.354 1.00 0.75 O ATOM 1310 CB ALA A 400 107.344 9.351 -3.831 1.00 0.85 C ATOM 0 H ALA A 400 108.671 10.330 -2.127 1.00 0.70 H new ATOM 0 HA ALA A 400 107.033 11.487 -4.203 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.646 9.040 -4.608 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.360 9.327 -4.225 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.268 8.672 -2.982 1.00 0.85 H new ATOM 1316 N ILE A 401 105.331 10.155 -1.713 1.00 0.67 N ATOM 1317 CA ILE A 401 103.949 10.163 -1.147 1.00 0.66 C ATOM 1318 C ILE A 401 103.564 11.566 -0.671 1.00 0.59 C ATOM 1319 O ILE A 401 102.456 12.013 -0.873 1.00 0.64 O ATOM 1320 CB ILE A 401 103.986 9.185 0.027 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.381 7.794 -0.476 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.603 9.116 0.678 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.552 7.440 -1.713 1.00 0.62 C ATOM 0 H ILE A 401 106.014 9.601 -1.195 1.00 0.67 H new ATOM 0 HA ILE A 401 103.207 9.875 -1.891 1.00 0.66 H new ATOM 0 HB ILE A 401 104.717 9.527 0.759 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.443 7.773 -0.719 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.218 7.053 0.307 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.629 8.419 1.515 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.321 10.105 1.039 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.872 8.775 -0.055 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.835 6.449 -2.069 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.493 7.444 -1.455 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.737 8.174 -2.497 1.00 0.62 H new ATOM 1335 N ARG A 402 104.477 12.283 -0.083 1.00 0.50 N ATOM 1336 CA ARG A 402 104.161 13.674 0.351 1.00 0.47 C ATOM 1337 C ARG A 402 103.700 14.509 -0.849 1.00 0.54 C ATOM 1338 O ARG A 402 102.770 15.282 -0.758 1.00 0.62 O ATOM 1339 CB ARG A 402 105.472 14.221 0.916 1.00 0.44 C ATOM 1340 CG ARG A 402 105.238 15.622 1.485 1.00 1.17 C ATOM 1341 CD ARG A 402 106.564 16.193 1.993 1.00 1.24 C ATOM 1342 NE ARG A 402 106.206 17.496 2.620 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.144 18.326 2.993 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.403 18.019 2.816 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.824 19.465 3.541 1.00 2.61 N ATOM 0 H ARG A 402 105.427 11.969 0.117 1.00 0.50 H new ATOM 0 HA ARG A 402 103.358 13.706 1.087 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.849 13.559 1.695 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.230 14.257 0.134 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.820 16.273 0.717 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.513 15.580 2.297 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.032 15.523 2.714 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.274 16.329 1.177 1.00 1.24 H new ATOM 0 HE ARG A 402 105.226 17.741 2.759 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.655 17.129 2.386 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.132 18.669 3.108 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.843 19.707 3.678 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.555 20.114 3.833 1.00 2.61 H new ATOM 1359 N ARG A 403 104.329 14.341 -1.981 1.00 0.54 N ATOM 1360 CA ARG A 403 103.908 15.108 -3.190 1.00 0.62 C ATOM 1361 C ARG A 403 102.514 14.672 -3.647 1.00 0.72 C ATOM 1362 O ARG A 403 101.688 15.484 -4.015 1.00 0.82 O ATOM 1363 CB ARG A 403 104.950 14.769 -4.256 1.00 0.63 C ATOM 1364 CG ARG A 403 106.332 15.225 -3.785 1.00 0.83 C ATOM 1365 CD ARG A 403 106.433 16.746 -3.887 1.00 0.96 C ATOM 1366 NE ARG A 403 106.391 17.039 -5.347 1.00 1.38 N ATOM 1367 CZ ARG A 403 106.835 18.179 -5.803 1.00 2.01 C ATOM 1368 NH1 ARG A 403 107.318 19.074 -4.981 1.00 2.48 N ATOM 1369 NH2 ARG A 403 106.798 18.427 -7.084 1.00 2.46 N ATOM 0 H ARG A 403 105.115 13.707 -2.121 1.00 0.54 H new ATOM 0 HA ARG A 403 103.853 16.179 -2.995 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.955 13.696 -4.446 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.695 15.258 -5.196 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.499 14.908 -2.756 1.00 0.83 H new ATOM 0 HG3 ARG A 403 107.107 14.758 -4.393 1.00 0.83 H new ATOM 0 HD2 ARG A 403 105.610 17.232 -3.363 1.00 0.96 H new ATOM 0 HD3 ARG A 403 107.357 17.111 -3.438 1.00 0.96 H new ATOM 0 HE ARG A 403 106.014 16.346 -5.993 1.00 1.38 H new ATOM 0 HH11 ARG A 403 107.349 18.883 -3.980 1.00 2.48 H new ATOM 0 HH12 ARG A 403 107.664 19.963 -5.341 1.00 2.48 H new ATOM 0 HH21 ARG A 403 106.422 17.731 -7.728 1.00 2.46 H new ATOM 0 HH22 ARG A 403 107.145 19.317 -7.441 1.00 2.46 H new ATOM 1383 N HIS A 404 102.230 13.400 -3.596 1.00 0.74 N ATOM 1384 CA HIS A 404 100.875 12.929 -4.001 1.00 0.86 C ATOM 1385 C HIS A 404 99.807 13.458 -3.039 1.00 0.84 C ATOM 1386 O HIS A 404 98.736 13.861 -3.447 1.00 0.94 O ATOM 1387 CB HIS A 404 100.950 11.406 -3.942 1.00 0.92 C ATOM 1388 CG HIS A 404 99.643 10.828 -4.410 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.252 10.866 -5.739 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.620 10.209 -3.735 1.00 2.29 C ATOM 1391 CE1 HIS A 404 98.041 10.285 -5.823 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.610 9.868 -4.629 1.00 2.43 N ATOM 0 H HIS A 404 102.874 12.669 -3.293 1.00 0.74 H new ATOM 0 HA HIS A 404 100.599 13.285 -4.994 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.766 11.046 -4.569 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.162 11.080 -2.924 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.602 10.016 -2.672 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.486 10.170 -6.742 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.729 9.400 -4.418 1.00 2.43 H new ATOM 1400 N VAL A 405 100.101 13.503 -1.771 1.00 0.76 N ATOM 1401 CA VAL A 405 99.112 14.051 -0.801 1.00 0.79 C ATOM 1402 C VAL A 405 98.865 15.536 -1.075 1.00 0.85 C ATOM 1403 O VAL A 405 97.743 15.997 -1.063 1.00 0.94 O ATOM 1404 CB VAL A 405 99.746 13.849 0.574 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.876 14.515 1.641 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.855 12.351 0.870 1.00 0.76 C ATOM 0 H VAL A 405 100.981 13.185 -1.364 1.00 0.76 H new ATOM 0 HA VAL A 405 98.144 13.555 -0.875 1.00 0.79 H new ATOM 0 HB VAL A 405 100.740 14.296 0.584 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.329 14.371 2.622 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.796 15.582 1.432 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.882 14.068 1.631 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.307 12.206 1.851 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.861 11.905 0.859 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.475 11.874 0.111 1.00 0.76 H new ATOM 1416 N GLU A 406 99.897 16.299 -1.300 1.00 0.84 N ATOM 1417 CA GLU A 406 99.699 17.756 -1.545 1.00 0.95 C ATOM 1418 C GLU A 406 98.864 17.985 -2.810 1.00 1.05 C ATOM 1419 O GLU A 406 98.051 18.886 -2.870 1.00 1.19 O ATOM 1420 CB GLU A 406 101.108 18.325 -1.719 1.00 0.91 C ATOM 1421 CG GLU A 406 101.881 18.184 -0.406 1.00 0.88 C ATOM 1422 CD GLU A 406 103.270 18.805 -0.563 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.623 19.145 -1.680 1.00 1.86 O ATOM 1424 OE2 GLU A 406 103.957 18.929 0.438 1.00 2.16 O ATOM 0 H GLU A 406 100.865 15.980 -1.325 1.00 0.84 H new ATOM 0 HA GLU A 406 99.162 18.237 -0.728 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.629 17.797 -2.518 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.055 19.374 -2.011 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.340 18.677 0.402 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.970 17.132 -0.135 1.00 0.88 H new ATOM 1431 N ALA A 407 99.048 17.175 -3.819 1.00 1.02 N ATOM 1432 CA ALA A 407 98.247 17.351 -5.066 1.00 1.17 C ATOM 1433 C ALA A 407 96.771 17.077 -4.775 1.00 1.32 C ATOM 1434 O ALA A 407 95.904 17.857 -5.116 1.00 1.53 O ATOM 1435 CB ALA A 407 98.804 16.317 -6.045 1.00 1.12 C ATOM 0 H ALA A 407 99.715 16.403 -3.834 1.00 1.02 H new ATOM 0 HA ALA A 407 98.314 18.363 -5.467 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.265 16.383 -6.990 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.863 16.512 -6.217 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.682 15.318 -5.627 1.00 1.12 H new ATOM 1441 N ASN A 408 96.503 16.058 -4.009 1.00 1.23 N ATOM 1442 CA ASN A 408 95.117 15.823 -3.529 1.00 1.37 C ATOM 1443 C ASN A 408 94.720 16.945 -2.575 1.00 1.44 C ATOM 1444 O ASN A 408 93.556 17.215 -2.355 1.00 1.60 O ATOM 1445 CB ASN A 408 95.189 14.487 -2.795 1.00 1.27 C ATOM 1446 CG ASN A 408 95.349 13.354 -3.811 1.00 1.88 C ATOM 1447 OD1 ASN A 408 94.617 13.355 -4.891 1.00 2.75 O flip ATOM 1448 ND2 ASN A 408 96.148 12.459 -3.619 1.00 2.02 N flip ATOM 0 H ASN A 408 97.191 15.374 -3.693 1.00 1.23 H new ATOM 0 HA ASN A 408 94.379 15.804 -4.331 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.028 14.487 -2.099 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.285 14.335 -2.205 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.720 12.459 -2.775 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.247 11.708 -4.302 1.00 2.02 H new ATOM 1455 N GLY A 409 95.692 17.544 -1.948 1.00 1.37 N ATOM 1456 CA GLY A 409 95.403 18.586 -0.933 1.00 1.51 C ATOM 1457 C GLY A 409 95.418 17.955 0.460 1.00 1.69 C ATOM 1458 O GLY A 409 94.862 18.487 1.401 1.00 2.28 O ATOM 0 H GLY A 409 96.682 17.353 -2.099 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.145 19.382 -0.992 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.432 19.040 -1.128 1.00 1.51 H new ATOM 1462 N GLY A 410 96.086 16.843 0.606 1.00 1.39 N ATOM 1463 CA GLY A 410 96.180 16.195 1.946 1.00 1.72 C ATOM 1464 C GLY A 410 97.431 16.699 2.669 1.00 1.26 C ATOM 1465 O GLY A 410 98.129 17.570 2.187 1.00 1.69 O ATOM 0 H GLY A 410 96.572 16.354 -0.146 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.291 16.421 2.534 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.222 15.111 1.836 1.00 1.72 H new ATOM 1469 N HIS A 411 97.750 16.124 3.796 1.00 0.88 N ATOM 1470 CA HIS A 411 98.991 16.534 4.516 1.00 1.32 C ATOM 1471 C HIS A 411 99.717 15.303 5.070 1.00 1.27 C ATOM 1472 O HIS A 411 99.109 14.294 5.368 1.00 1.52 O ATOM 1473 CB HIS A 411 98.510 17.433 5.655 1.00 1.83 C ATOM 1474 CG HIS A 411 97.797 18.628 5.085 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.467 19.638 4.413 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.472 18.987 5.078 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.552 20.549 4.033 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.319 20.200 4.413 1.00 4.13 N ATOM 0 H HIS A 411 97.207 15.389 4.249 1.00 0.88 H new ATOM 0 HA HIS A 411 99.696 17.047 3.862 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.842 16.878 6.313 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.357 17.756 6.260 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.670 18.415 5.521 1.00 3.34 H new ATOM 0 HE1 HIS A 411 97.786 21.452 3.488 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.452 20.713 4.251 1.00 4.13 H new ATOM 1486 N PHE A 412 101.011 15.387 5.227 1.00 1.04 N ATOM 1487 CA PHE A 412 101.774 14.232 5.782 1.00 1.06 C ATOM 1488 C PHE A 412 101.944 14.393 7.299 1.00 1.03 C ATOM 1489 O PHE A 412 102.633 15.285 7.753 1.00 1.05 O ATOM 1490 CB PHE A 412 103.131 14.284 5.077 1.00 1.03 C ATOM 1491 CG PHE A 412 103.671 12.885 4.912 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.288 12.238 5.991 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.556 12.233 3.677 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.791 10.939 5.836 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.059 10.934 3.520 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.677 10.287 4.600 1.00 3.31 C ATOM 0 H PHE A 412 101.573 16.206 4.995 1.00 1.04 H new ATOM 0 HA PHE A 412 101.268 13.280 5.620 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.028 14.762 4.103 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.830 14.888 5.656 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.376 12.741 6.943 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.080 12.731 2.846 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.266 10.441 6.668 1.00 2.70 H new ATOM 0 HE2 PHE A 412 103.971 10.432 2.568 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.065 9.286 4.480 1.00 3.31 H new ATOM 1506 N PRO A 413 101.255 13.558 8.031 1.00 1.03 N ATOM 1507 CA PRO A 413 101.268 13.649 9.515 1.00 1.06 C ATOM 1508 C PRO A 413 102.695 13.502 10.059 1.00 0.96 C ATOM 1509 O PRO A 413 103.492 12.743 9.545 1.00 0.88 O ATOM 1510 CB PRO A 413 100.396 12.477 9.969 1.00 1.16 C ATOM 1511 CG PRO A 413 99.609 12.068 8.763 1.00 1.23 C ATOM 1512 CD PRO A 413 100.407 12.465 7.552 1.00 1.05 C ATOM 0 HA PRO A 413 100.902 14.610 9.876 1.00 1.06 H new ATOM 0 HB2 PRO A 413 101.008 11.653 10.336 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.737 12.772 10.785 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.428 10.993 8.769 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.634 12.555 8.757 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.002 11.633 7.176 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.761 12.789 6.736 1.00 1.05 H new ATOM 1520 N THR A 414 103.019 14.230 11.095 1.00 1.01 N ATOM 1521 CA THR A 414 104.391 14.141 11.674 1.00 0.97 C ATOM 1522 C THR A 414 104.688 12.715 12.140 1.00 0.92 C ATOM 1523 O THR A 414 105.768 12.204 11.942 1.00 0.84 O ATOM 1524 CB THR A 414 104.381 15.108 12.864 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.718 15.401 13.243 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.642 14.473 14.046 1.00 1.75 C ATOM 0 H THR A 414 102.392 14.883 11.565 1.00 1.01 H new ATOM 0 HA THR A 414 105.161 14.396 10.946 1.00 0.97 H new ATOM 0 HB THR A 414 103.871 16.027 12.576 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.714 16.020 14.002 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.639 15.166 14.888 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.615 14.250 13.756 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.145 13.551 14.337 1.00 1.75 H new ATOM 1534 N ASP A 415 103.757 12.086 12.798 1.00 0.99 N ATOM 1535 CA ASP A 415 104.025 10.718 13.320 1.00 0.97 C ATOM 1536 C ASP A 415 104.447 9.792 12.176 1.00 0.83 C ATOM 1537 O ASP A 415 105.339 8.984 12.319 1.00 0.84 O ATOM 1538 CB ASP A 415 102.699 10.258 13.924 1.00 1.08 C ATOM 1539 CG ASP A 415 102.382 11.100 15.160 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.268 11.807 15.614 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.260 11.026 15.634 1.00 1.80 O ATOM 0 H ASP A 415 102.828 12.456 12.996 1.00 0.99 H new ATOM 0 HA ASP A 415 104.831 10.704 14.053 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.899 10.356 13.190 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.757 9.204 14.194 1.00 1.08 H new ATOM 1546 N VAL A 416 103.821 9.911 11.038 1.00 0.71 N ATOM 1547 CA VAL A 416 104.200 9.041 9.889 1.00 0.60 C ATOM 1548 C VAL A 416 105.583 9.420 9.354 1.00 0.51 C ATOM 1549 O VAL A 416 106.398 8.571 9.065 1.00 0.46 O ATOM 1550 CB VAL A 416 103.123 9.297 8.837 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.529 8.648 7.512 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.800 8.694 9.311 1.00 0.71 C ATOM 0 H VAL A 416 103.065 10.571 10.854 1.00 0.71 H new ATOM 0 HA VAL A 416 104.259 7.990 10.170 1.00 0.60 H new ATOM 0 HB VAL A 416 103.008 10.371 8.692 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.758 8.833 6.765 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.473 9.074 7.172 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.646 7.574 7.654 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.029 8.875 8.562 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.921 7.620 9.456 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.506 9.156 10.253 1.00 0.71 H new ATOM 1562 N ASP A 417 105.884 10.687 9.290 1.00 0.53 N ATOM 1563 CA ASP A 417 107.249 11.098 8.854 1.00 0.53 C ATOM 1564 C ASP A 417 108.295 10.565 9.836 1.00 0.58 C ATOM 1565 O ASP A 417 109.340 10.082 9.450 1.00 0.60 O ATOM 1566 CB ASP A 417 107.224 12.625 8.861 1.00 0.61 C ATOM 1567 CG ASP A 417 108.507 13.161 8.223 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.280 12.356 7.727 1.00 1.15 O ATOM 1569 OD2 ASP A 417 108.697 14.367 8.239 1.00 1.81 O ATOM 0 H ASP A 417 105.249 11.452 9.519 1.00 0.53 H new ATOM 0 HA ASP A 417 107.509 10.704 7.871 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.354 12.987 8.313 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.133 12.993 9.883 1.00 0.61 H new ATOM 1574 N GLN A 418 107.986 10.579 11.100 1.00 0.62 N ATOM 1575 CA GLN A 418 108.917 10.000 12.108 1.00 0.68 C ATOM 1576 C GLN A 418 109.064 8.486 11.912 1.00 0.69 C ATOM 1577 O GLN A 418 110.155 7.961 11.929 1.00 0.81 O ATOM 1578 CB GLN A 418 108.272 10.332 13.455 1.00 0.73 C ATOM 1579 CG GLN A 418 108.402 11.831 13.725 1.00 1.31 C ATOM 1580 CD GLN A 418 109.878 12.231 13.691 1.00 1.86 C ATOM 1581 OE1 GLN A 418 110.702 11.614 14.337 1.00 1.96 O ATOM 1582 NE2 GLN A 418 110.251 13.245 12.960 1.00 2.60 N ATOM 0 H GLN A 418 107.124 10.968 11.482 1.00 0.62 H new ATOM 0 HA GLN A 418 109.926 10.405 12.028 1.00 0.68 H new ATOM 0 HB2 GLN A 418 107.221 10.042 13.449 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.754 9.765 14.251 1.00 0.73 H new ATOM 0 HG2 GLN A 418 107.844 12.395 12.978 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.971 12.075 14.696 1.00 1.31 H new ATOM 0 HE21 GLN A 418 109.561 13.764 12.417 1.00 2.60 H new ATOM 0 HE22 GLN A 418 111.233 13.519 12.931 1.00 2.60 H new ATOM 1591 N LYS A 419 107.990 7.783 11.681 1.00 0.61 N ATOM 1592 CA LYS A 419 108.113 6.314 11.438 1.00 0.63 C ATOM 1593 C LYS A 419 108.928 6.046 10.166 1.00 0.62 C ATOM 1594 O LYS A 419 109.693 5.106 10.093 1.00 0.71 O ATOM 1595 CB LYS A 419 106.676 5.819 11.270 1.00 0.57 C ATOM 1596 CG LYS A 419 105.927 5.975 12.596 1.00 0.81 C ATOM 1597 CD LYS A 419 104.517 5.395 12.460 1.00 0.93 C ATOM 1598 CE LYS A 419 103.730 5.664 13.745 1.00 1.33 C ATOM 1599 NZ LYS A 419 102.719 4.570 13.813 1.00 2.49 N ATOM 0 H LYS A 419 107.041 8.155 11.650 1.00 0.61 H new ATOM 0 HA LYS A 419 108.628 5.805 12.253 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.173 6.386 10.487 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.673 4.774 10.959 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.467 5.463 13.393 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.873 7.028 12.873 1.00 0.81 H new ATOM 0 HD2 LYS A 419 104.008 5.845 11.608 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.570 4.323 12.270 1.00 0.93 H new ATOM 0 HE2 LYS A 419 104.383 5.653 14.618 1.00 1.33 H new ATOM 0 HE3 LYS A 419 103.251 6.643 13.717 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.055 4.759 14.590 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.197 4.524 12.915 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 103.200 3.663 13.981 1.00 2.49 H new ATOM 1613 N VAL A 420 108.794 6.883 9.179 1.00 0.56 N ATOM 1614 CA VAL A 420 109.573 6.702 7.919 1.00 0.62 C ATOM 1615 C VAL A 420 111.067 6.896 8.186 1.00 0.71 C ATOM 1616 O VAL A 420 111.905 6.197 7.654 1.00 0.79 O ATOM 1617 CB VAL A 420 109.051 7.796 6.991 1.00 0.60 C ATOM 1618 CG1 VAL A 420 109.980 7.931 5.788 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.646 7.428 6.509 1.00 0.59 C ATOM 0 H VAL A 420 108.174 7.693 9.188 1.00 0.56 H new ATOM 0 HA VAL A 420 109.457 5.705 7.494 1.00 0.62 H new ATOM 0 HB VAL A 420 109.015 8.742 7.531 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.607 8.712 5.126 1.00 0.70 H new ATOM 0 HG12 VAL A 420 110.982 8.193 6.129 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.016 6.985 5.248 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.273 8.209 5.846 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.683 6.481 5.970 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.981 7.331 7.367 1.00 0.59 H new ATOM 1629 N ASP A 421 111.399 7.863 8.984 1.00 0.72 N ATOM 1630 CA ASP A 421 112.832 8.145 9.278 1.00 0.84 C ATOM 1631 C ASP A 421 113.435 7.036 10.144 1.00 0.91 C ATOM 1632 O ASP A 421 114.528 6.566 9.899 1.00 1.00 O ATOM 1633 CB ASP A 421 112.805 9.465 10.039 1.00 0.88 C ATOM 1634 CG ASP A 421 112.487 10.607 9.073 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.467 10.359 7.878 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.270 11.711 9.543 1.00 1.25 O ATOM 0 H ASP A 421 110.735 8.479 9.452 1.00 0.72 H new ATOM 0 HA ASP A 421 113.441 8.194 8.375 1.00 0.84 H new ATOM 0 HB2 ASP A 421 112.056 9.425 10.830 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.768 9.639 10.520 1.00 0.88 H new ATOM 1641 N GLN A 422 112.711 6.590 11.131 1.00 0.89 N ATOM 1642 CA GLN A 422 113.214 5.480 11.988 1.00 0.98 C ATOM 1643 C GLN A 422 113.337 4.199 11.163 1.00 0.98 C ATOM 1644 O GLN A 422 114.257 3.427 11.336 1.00 1.07 O ATOM 1645 CB GLN A 422 112.165 5.328 13.091 1.00 0.99 C ATOM 1646 CG GLN A 422 112.041 6.647 13.861 1.00 1.32 C ATOM 1647 CD GLN A 422 113.385 6.991 14.503 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.884 8.186 14.341 1.00 2.33 O flip ATOM 1649 NE2 GLN A 422 113.988 6.165 15.159 1.00 2.33 N flip ATOM 0 H GLN A 422 111.789 6.947 11.383 1.00 0.89 H new ATOM 0 HA GLN A 422 114.202 5.682 12.401 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.203 5.055 12.658 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.449 4.523 13.769 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.733 7.446 13.187 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.271 6.562 14.628 1.00 1.32 H new ATOM 0 HE21 GLN A 422 113.598 5.231 15.286 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.884 6.406 15.583 1.00 2.33 H new ATOM 1658 N VAL A 423 112.519 4.053 10.161 1.00 0.91 N ATOM 1659 CA VAL A 423 112.706 2.926 9.212 1.00 0.94 C ATOM 1660 C VAL A 423 114.088 3.024 8.559 1.00 0.96 C ATOM 1661 O VAL A 423 114.809 2.052 8.457 1.00 1.00 O ATOM 1662 CB VAL A 423 111.608 3.127 8.175 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.786 2.128 7.033 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.240 2.931 8.830 1.00 0.99 C ATOM 0 H VAL A 423 111.729 4.666 9.959 1.00 0.91 H new ATOM 0 HA VAL A 423 112.649 1.949 9.691 1.00 0.94 H new ATOM 0 HB VAL A 423 111.671 4.139 7.775 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.998 2.276 6.294 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.758 2.282 6.563 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.729 1.113 7.426 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.456 3.075 8.086 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.173 1.922 9.237 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.115 3.656 9.634 1.00 0.99 H new ATOM 1674 N ALA A 424 114.472 4.201 8.146 1.00 0.98 N ATOM 1675 CA ALA A 424 115.820 4.376 7.534 1.00 1.07 C ATOM 1676 C ALA A 424 116.909 4.240 8.599 1.00 1.17 C ATOM 1677 O ALA A 424 117.864 3.508 8.436 1.00 1.24 O ATOM 1678 CB ALA A 424 115.811 5.794 6.973 1.00 1.09 C ATOM 0 H ALA A 424 113.910 5.050 8.206 1.00 0.98 H new ATOM 0 HA ALA A 424 116.025 3.627 6.769 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.771 6.005 6.503 1.00 1.09 H new ATOM 0 HB2 ALA A 424 115.016 5.888 6.233 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.639 6.504 7.782 1.00 1.09 H new ATOM 1684 N ARG A 425 116.770 4.943 9.690 1.00 1.23 N ATOM 1685 CA ARG A 425 117.796 4.857 10.766 1.00 1.39 C ATOM 1686 C ARG A 425 118.011 3.396 11.165 1.00 1.38 C ATOM 1687 O ARG A 425 119.042 3.031 11.696 1.00 1.53 O ATOM 1688 CB ARG A 425 117.216 5.655 11.935 1.00 1.57 C ATOM 1689 CG ARG A 425 117.071 7.122 11.529 1.00 2.17 C ATOM 1690 CD ARG A 425 116.588 7.940 12.729 1.00 2.43 C ATOM 1691 NE ARG A 425 116.280 9.288 12.175 1.00 2.68 N ATOM 1692 CZ ARG A 425 116.216 10.325 12.968 1.00 3.44 C ATOM 1693 NH1 ARG A 425 116.422 10.188 14.250 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.947 11.503 12.475 1.00 3.73 N ATOM 0 H ARG A 425 115.991 5.572 9.882 1.00 1.23 H new ATOM 0 HA ARG A 425 118.763 5.249 10.451 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.246 5.248 12.221 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.867 5.570 12.805 1.00 1.57 H new ATOM 0 HG2 ARG A 425 118.026 7.508 11.174 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.364 7.214 10.705 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.706 7.489 13.185 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.354 7.996 13.503 1.00 2.43 H new ATOM 0 HE ARG A 425 116.119 9.402 11.174 1.00 2.68 H new ATOM 0 HH11 ARG A 425 116.634 9.268 14.637 1.00 4.11 H new ATOM 0 HH12 ARG A 425 116.371 11.001 14.864 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.787 11.612 11.474 1.00 3.73 H new ATOM 0 HH22 ARG A 425 115.896 12.314 13.091 1.00 3.73 H new ATOM 1708 N GLN A 426 117.052 2.556 10.894 1.00 1.26 N ATOM 1709 CA GLN A 426 117.212 1.110 11.240 1.00 1.33 C ATOM 1710 C GLN A 426 117.818 0.336 10.066 1.00 1.26 C ATOM 1711 O GLN A 426 118.034 -0.856 10.144 1.00 1.33 O ATOM 1712 CB GLN A 426 115.799 0.614 11.545 1.00 1.34 C ATOM 1713 CG GLN A 426 115.300 1.279 12.828 1.00 1.95 C ATOM 1714 CD GLN A 426 113.839 0.897 13.066 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.162 0.440 12.166 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.319 1.065 14.252 1.00 2.92 N ATOM 0 H GLN A 426 116.167 2.803 10.450 1.00 1.26 H new ATOM 0 HA GLN A 426 117.885 0.965 12.085 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.131 0.849 10.716 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.798 -0.470 11.659 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.911 0.965 13.674 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.396 2.362 12.750 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.886 1.448 15.008 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.345 0.813 14.422 1.00 2.92 H new ATOM 1725 N GLY A 427 118.166 1.017 9.010 1.00 1.16 N ATOM 1726 CA GLY A 427 118.841 0.329 7.870 1.00 1.14 C ATOM 1727 C GLY A 427 117.793 -0.210 6.895 1.00 1.07 C ATOM 1728 O GLY A 427 118.106 -0.928 5.966 1.00 1.11 O ATOM 0 H GLY A 427 118.013 2.018 8.885 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.505 1.024 7.356 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.460 -0.488 8.241 1.00 1.14 H new ATOM 1732 N ALA A 428 116.558 0.168 7.072 1.00 1.07 N ATOM 1733 CA ALA A 428 115.494 -0.278 6.127 1.00 1.00 C ATOM 1734 C ALA A 428 115.131 0.861 5.178 1.00 0.94 C ATOM 1735 O ALA A 428 115.272 2.021 5.508 1.00 0.97 O ATOM 1736 CB ALA A 428 114.302 -0.635 7.017 1.00 1.04 C ATOM 0 H ALA A 428 116.238 0.768 7.832 1.00 1.07 H new ATOM 0 HA ALA A 428 115.809 -1.120 5.511 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.473 -0.974 6.396 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.588 -1.430 7.706 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.995 0.244 7.584 1.00 1.04 H new ATOM 1742 N THR A 429 114.566 0.544 4.048 1.00 0.92 N ATOM 1743 CA THR A 429 114.079 1.618 3.138 1.00 0.88 C ATOM 1744 C THR A 429 112.606 1.888 3.432 1.00 0.65 C ATOM 1745 O THR A 429 111.766 1.048 3.183 1.00 0.62 O ATOM 1746 CB THR A 429 114.243 1.063 1.719 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.610 1.145 1.338 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.388 1.882 0.741 1.00 1.00 C ATOM 0 H THR A 429 114.420 -0.409 3.715 1.00 0.92 H new ATOM 0 HA THR A 429 114.627 2.552 3.264 1.00 0.88 H new ATOM 0 HB THR A 429 113.918 0.023 1.696 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.719 0.789 0.431 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.507 1.485 -0.267 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.340 1.820 1.034 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.709 2.923 0.761 1.00 1.00 H new ATOM 1756 N PRO A 430 112.355 3.025 4.013 1.00 0.70 N ATOM 1757 CA PRO A 430 110.979 3.381 4.415 1.00 0.55 C ATOM 1758 C PRO A 430 110.142 3.736 3.187 1.00 0.54 C ATOM 1759 O PRO A 430 110.189 4.849 2.702 1.00 0.68 O ATOM 1760 CB PRO A 430 111.155 4.614 5.305 1.00 0.81 C ATOM 1761 CG PRO A 430 112.634 4.791 5.490 1.00 1.20 C ATOM 1762 CD PRO A 430 113.309 4.074 4.358 1.00 1.04 C ATOM 0 HA PRO A 430 110.467 2.563 4.922 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.713 5.495 4.840 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.657 4.476 6.265 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.899 5.848 5.489 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.954 4.384 6.449 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.498 4.739 3.516 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.271 3.660 4.660 1.00 1.04 H new ATOM 1770 N LEU A 431 109.186 2.914 2.869 1.00 0.47 N ATOM 1771 CA LEU A 431 108.143 3.349 1.906 1.00 0.56 C ATOM 1772 C LEU A 431 106.997 3.992 2.682 1.00 0.54 C ATOM 1773 O LEU A 431 106.800 3.710 3.842 1.00 0.59 O ATOM 1774 CB LEU A 431 107.658 2.077 1.209 1.00 0.59 C ATOM 1775 CG LEU A 431 108.791 1.463 0.392 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.243 0.289 -0.420 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.359 2.515 -0.562 1.00 1.40 C ATOM 0 H LEU A 431 109.082 1.966 3.231 1.00 0.47 H new ATOM 0 HA LEU A 431 108.519 4.073 1.184 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.303 1.360 1.949 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.814 2.308 0.559 1.00 0.59 H new ATOM 0 HG LEU A 431 109.578 1.115 1.060 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.047 -0.155 -1.007 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.831 -0.460 0.256 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.459 0.644 -1.089 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.169 2.077 -1.146 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.573 2.860 -1.233 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.741 3.359 0.013 1.00 1.40 H new ATOM 1789 N VAL A 432 106.170 4.752 2.035 1.00 0.49 N ATOM 1790 CA VAL A 432 104.965 5.273 2.738 1.00 0.48 C ATOM 1791 C VAL A 432 103.704 4.941 1.940 1.00 0.48 C ATOM 1792 O VAL A 432 103.696 4.981 0.726 1.00 0.52 O ATOM 1793 CB VAL A 432 105.170 6.782 2.832 1.00 0.43 C ATOM 1794 CG1 VAL A 432 103.982 7.415 3.560 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.456 7.073 3.609 1.00 0.51 C ATOM 0 H VAL A 432 106.270 5.036 1.060 1.00 0.49 H new ATOM 0 HA VAL A 432 104.839 4.827 3.724 1.00 0.48 H new ATOM 0 HB VAL A 432 105.247 7.201 1.829 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.129 8.493 3.627 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.065 7.207 3.009 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.905 6.996 4.563 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.604 8.151 3.677 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.378 6.653 4.612 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.303 6.622 3.092 1.00 0.51 H new ATOM 1805 N VAL A 433 102.655 4.571 2.622 1.00 0.44 N ATOM 1806 CA VAL A 433 101.396 4.187 1.926 1.00 0.45 C ATOM 1807 C VAL A 433 100.263 5.120 2.351 1.00 0.37 C ATOM 1808 O VAL A 433 100.131 5.462 3.511 1.00 0.37 O ATOM 1809 CB VAL A 433 101.110 2.756 2.384 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.904 2.207 1.620 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.332 1.877 2.105 1.00 1.08 C ATOM 0 H VAL A 433 102.617 4.518 3.640 1.00 0.44 H new ATOM 0 HA VAL A 433 101.482 4.257 0.842 1.00 0.45 H new ATOM 0 HB VAL A 433 100.896 2.753 3.453 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.700 1.187 1.946 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.033 2.832 1.817 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.118 2.210 0.551 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.129 0.857 2.431 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.546 1.880 1.036 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.193 2.267 2.649 1.00 1.08 H new ATOM 1821 N VAL A 434 99.430 5.505 1.425 1.00 0.43 N ATOM 1822 CA VAL A 434 98.282 6.391 1.770 1.00 0.43 C ATOM 1823 C VAL A 434 96.975 5.765 1.281 1.00 0.48 C ATOM 1824 O VAL A 434 96.955 5.067 0.287 1.00 0.90 O ATOM 1825 CB VAL A 434 98.555 7.720 1.042 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.034 8.085 1.170 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.185 7.598 -0.441 1.00 0.49 C ATOM 0 H VAL A 434 99.494 5.244 0.441 1.00 0.43 H new ATOM 0 HA VAL A 434 98.184 6.539 2.846 1.00 0.43 H new ATOM 0 HB VAL A 434 97.946 8.501 1.498 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.223 9.026 0.653 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.293 8.191 2.224 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.643 7.298 0.724 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.383 8.544 -0.944 1.00 0.49 H new ATOM 0 HG22 VAL A 434 98.782 6.811 -0.901 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.127 7.352 -0.533 1.00 0.49 H new ATOM 1837 N GLU A 435 95.878 6.252 1.779 1.00 0.61 N ATOM 1838 CA GLU A 435 94.578 5.951 1.124 1.00 0.60 C ATOM 1839 C GLU A 435 93.927 7.259 0.698 1.00 0.62 C ATOM 1840 O GLU A 435 93.871 8.209 1.452 1.00 0.67 O ATOM 1841 CB GLU A 435 93.736 5.240 2.180 1.00 0.70 C ATOM 1842 CG GLU A 435 93.814 3.736 1.951 1.00 0.76 C ATOM 1843 CD GLU A 435 92.942 3.012 2.976 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.446 3.673 3.875 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.783 1.810 2.847 1.00 1.34 O ATOM 0 H GLU A 435 95.824 6.844 2.608 1.00 0.61 H new ATOM 0 HA GLU A 435 94.687 5.330 0.235 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.097 5.487 3.178 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.700 5.576 2.124 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.481 3.495 0.941 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.847 3.399 2.035 1.00 0.76 H new ATOM 1852 N GLY A 436 93.591 7.371 -0.551 1.00 0.61 N ATOM 1853 CA GLY A 436 93.128 8.687 -1.063 1.00 0.64 C ATOM 1854 C GLY A 436 94.298 9.676 -1.026 1.00 0.68 C ATOM 1855 O GLY A 436 95.218 9.595 -1.816 1.00 1.42 O ATOM 0 H GLY A 436 93.616 6.616 -1.236 1.00 0.61 H new ATOM 0 HA2 GLY A 436 92.754 8.584 -2.082 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.302 9.058 -0.456 1.00 0.64 H new ATOM 1859 N SER A 437 94.244 10.638 -0.145 1.00 0.84 N ATOM 1860 CA SER A 437 95.321 11.669 -0.089 1.00 0.81 C ATOM 1861 C SER A 437 96.013 11.664 1.281 1.00 0.83 C ATOM 1862 O SER A 437 96.740 12.578 1.616 1.00 1.35 O ATOM 1863 CB SER A 437 94.599 12.997 -0.311 1.00 0.80 C ATOM 1864 OG SER A 437 93.929 13.373 0.884 1.00 1.42 O ATOM 0 H SER A 437 93.498 10.755 0.541 1.00 0.84 H new ATOM 0 HA SER A 437 96.098 11.486 -0.831 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.313 13.768 -0.599 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.884 12.903 -1.128 1.00 0.80 H new ATOM 0 HG SER A 437 93.466 14.226 0.745 1.00 1.42 H new ATOM 1870 N ARG A 438 95.743 10.686 2.105 1.00 0.53 N ATOM 1871 CA ARG A 438 96.335 10.691 3.474 1.00 0.62 C ATOM 1872 C ARG A 438 97.162 9.421 3.703 1.00 0.65 C ATOM 1873 O ARG A 438 96.830 8.358 3.218 1.00 0.69 O ATOM 1874 CB ARG A 438 95.135 10.728 4.419 1.00 0.78 C ATOM 1875 CG ARG A 438 94.468 9.353 4.442 1.00 1.34 C ATOM 1876 CD ARG A 438 93.083 9.466 5.080 1.00 1.53 C ATOM 1877 NE ARG A 438 92.589 8.064 5.178 1.00 2.25 N ATOM 1878 CZ ARG A 438 93.083 7.255 6.077 1.00 2.95 C ATOM 1879 NH1 ARG A 438 94.011 7.669 6.898 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.647 6.027 6.156 1.00 3.52 N ATOM 0 H ARG A 438 95.143 9.890 1.891 1.00 0.53 H new ATOM 0 HA ARG A 438 97.007 11.535 3.631 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.456 11.006 5.423 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.423 11.485 4.091 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.382 8.962 3.428 1.00 1.34 H new ATOM 0 HG3 ARG A 438 95.082 8.649 5.004 1.00 1.34 H new ATOM 0 HD2 ARG A 438 93.138 9.935 6.062 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.417 10.078 4.472 1.00 1.53 H new ATOM 0 HE ARG A 438 91.863 7.735 4.541 1.00 2.25 H new ATOM 0 HH11 ARG A 438 94.353 8.628 6.839 1.00 3.49 H new ATOM 0 HH12 ARG A 438 94.393 7.033 7.598 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.922 5.701 5.517 1.00 3.52 H new ATOM 0 HH22 ARG A 438 93.031 5.394 6.857 1.00 3.52 H new ATOM 1894 N VAL A 439 98.241 9.530 4.424 1.00 0.67 N ATOM 1895 CA VAL A 439 99.109 8.339 4.659 1.00 0.74 C ATOM 1896 C VAL A 439 98.477 7.410 5.697 1.00 0.93 C ATOM 1897 O VAL A 439 98.141 7.821 6.790 1.00 1.41 O ATOM 1898 CB VAL A 439 100.427 8.908 5.183 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.435 7.774 5.369 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.980 9.921 4.177 1.00 0.86 C ATOM 0 H VAL A 439 98.562 10.393 4.863 1.00 0.67 H new ATOM 0 HA VAL A 439 99.248 7.749 3.753 1.00 0.74 H new ATOM 0 HB VAL A 439 100.255 9.401 6.140 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.375 8.180 5.743 1.00 0.99 H new ATOM 0 HG12 VAL A 439 101.042 7.052 6.084 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.608 7.280 4.413 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.920 10.328 4.550 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.152 9.427 3.221 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.262 10.730 4.044 1.00 0.86 H new ATOM 1910 N LEU A 440 98.343 6.152 5.375 1.00 0.79 N ATOM 1911 CA LEU A 440 97.769 5.191 6.357 1.00 1.07 C ATOM 1912 C LEU A 440 98.875 4.594 7.233 1.00 0.74 C ATOM 1913 O LEU A 440 98.644 4.233 8.368 1.00 0.88 O ATOM 1914 CB LEU A 440 97.090 4.103 5.519 1.00 1.60 C ATOM 1915 CG LEU A 440 98.091 3.490 4.538 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.331 2.027 4.903 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.521 3.570 3.121 1.00 1.57 C ATOM 0 H LEU A 440 98.606 5.749 4.475 1.00 0.79 H new ATOM 0 HA LEU A 440 97.063 5.674 7.032 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.689 3.328 6.172 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.248 4.527 4.973 1.00 1.60 H new ATOM 0 HG LEU A 440 99.033 4.037 4.588 1.00 1.48 H new ATOM 0 HD11 LEU A 440 99.044 1.590 4.204 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.731 1.965 5.915 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.390 1.480 4.851 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.231 3.134 2.418 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.581 3.020 3.075 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.344 4.613 2.858 1.00 1.57 H new ATOM 1929 N GLY A 441 100.078 4.503 6.728 1.00 0.64 N ATOM 1930 CA GLY A 441 101.181 3.943 7.568 1.00 1.02 C ATOM 1931 C GLY A 441 102.498 3.928 6.789 1.00 0.82 C ATOM 1932 O GLY A 441 102.572 4.359 5.659 1.00 0.96 O ATOM 0 H GLY A 441 100.343 4.787 5.785 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.295 4.540 8.473 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.927 2.931 7.883 1.00 1.02 H new ATOM 1936 N VAL A 442 103.546 3.448 7.407 1.00 0.56 N ATOM 1937 CA VAL A 442 104.876 3.418 6.730 1.00 0.44 C ATOM 1938 C VAL A 442 105.384 1.971 6.636 1.00 0.41 C ATOM 1939 O VAL A 442 105.068 1.137 7.460 1.00 0.41 O ATOM 1940 CB VAL A 442 105.793 4.246 7.629 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.180 4.343 6.992 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.209 5.651 7.794 1.00 0.57 C ATOM 0 H VAL A 442 103.537 3.074 8.356 1.00 0.56 H new ATOM 0 HA VAL A 442 104.835 3.811 5.714 1.00 0.44 H new ATOM 0 HB VAL A 442 105.874 3.768 8.605 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.834 4.934 7.633 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.596 3.343 6.872 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.100 4.822 6.016 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.862 6.243 8.435 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.129 6.129 6.818 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.220 5.583 8.247 1.00 0.57 H new ATOM 1952 N ILE A 443 106.193 1.684 5.656 1.00 0.42 N ATOM 1953 CA ILE A 443 106.761 0.310 5.518 1.00 0.43 C ATOM 1954 C ILE A 443 108.278 0.382 5.521 1.00 0.44 C ATOM 1955 O ILE A 443 108.856 1.371 5.143 1.00 0.51 O ATOM 1956 CB ILE A 443 106.236 -0.218 4.178 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.726 0.021 4.093 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.513 -1.719 4.074 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.059 -0.457 5.385 1.00 1.05 C ATOM 0 H ILE A 443 106.489 2.346 4.938 1.00 0.42 H new ATOM 0 HA ILE A 443 106.471 -0.346 6.339 1.00 0.43 H new ATOM 0 HB ILE A 443 106.738 0.304 3.363 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.523 1.081 3.937 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.310 -0.512 3.238 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.139 -2.093 3.121 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.587 -1.896 4.137 1.00 0.56 H new ATOM 0 HG23 ILE A 443 106.011 -2.239 4.890 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.984 -0.287 5.324 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.251 -1.521 5.521 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.467 0.096 6.231 1.00 1.05 H new ATOM 1971 N ALA A 444 108.924 -0.673 5.911 1.00 0.40 N ATOM 1972 CA ALA A 444 110.414 -0.674 5.902 1.00 0.44 C ATOM 1973 C ALA A 444 110.936 -1.978 5.309 1.00 0.43 C ATOM 1974 O ALA A 444 110.539 -3.052 5.704 1.00 0.45 O ATOM 1975 CB ALA A 444 110.824 -0.549 7.369 1.00 0.46 C ATOM 0 H ALA A 444 108.489 -1.537 6.236 1.00 0.40 H new ATOM 0 HA ALA A 444 110.822 0.136 5.297 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.911 -0.543 7.444 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.427 0.379 7.780 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.427 -1.394 7.931 1.00 0.46 H new ATOM 1981 N LEU A 445 111.771 -1.892 4.314 1.00 0.57 N ATOM 1982 CA LEU A 445 112.255 -3.130 3.642 1.00 0.63 C ATOM 1983 C LEU A 445 113.684 -3.441 4.084 1.00 0.75 C ATOM 1984 O LEU A 445 114.503 -2.553 4.211 1.00 0.92 O ATOM 1985 CB LEU A 445 112.223 -2.814 2.146 1.00 0.81 C ATOM 1986 CG LEU A 445 110.792 -2.909 1.609 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.839 -2.116 2.507 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.745 -2.334 0.192 1.00 1.91 C ATOM 0 H LEU A 445 112.140 -1.019 3.936 1.00 0.57 H new ATOM 0 HA LEU A 445 111.642 -3.997 3.889 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.618 -1.813 1.971 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.867 -3.509 1.607 1.00 0.81 H new ATOM 0 HG LEU A 445 110.484 -3.955 1.597 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.824 -2.190 2.116 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.869 -2.522 3.518 1.00 2.11 H new ATOM 0 HD13 LEU A 445 110.144 -1.070 2.527 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.728 -2.400 -0.194 1.00 1.91 H new ATOM 0 HD22 LEU A 445 111.059 -1.290 0.212 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.415 -2.902 -0.453 1.00 1.91 H new ATOM 2000 N LYS A 446 114.020 -4.695 4.214 1.00 0.89 N ATOM 2001 CA LYS A 446 115.429 -5.058 4.525 1.00 1.15 C ATOM 2002 C LYS A 446 116.231 -5.158 3.230 1.00 1.27 C ATOM 2003 O LYS A 446 115.736 -5.611 2.221 1.00 1.87 O ATOM 2004 CB LYS A 446 115.343 -6.417 5.204 1.00 1.92 C ATOM 2005 CG LYS A 446 116.690 -6.768 5.830 1.00 2.25 C ATOM 2006 CD LYS A 446 116.600 -8.161 6.451 1.00 2.85 C ATOM 2007 CE LYS A 446 117.879 -8.456 7.238 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.681 -7.791 8.556 1.00 4.48 N ATOM 0 H LYS A 446 113.379 -5.483 4.118 1.00 0.89 H new ATOM 0 HA LYS A 446 115.923 -4.320 5.156 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.568 -6.402 5.970 1.00 1.92 H new ATOM 0 HB3 LYS A 446 115.059 -7.179 4.478 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.475 -6.742 5.074 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.955 -6.033 6.590 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.734 -8.221 7.110 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.460 -8.910 5.671 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.032 -9.529 7.356 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.757 -8.064 6.726 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.557 -7.305 8.835 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.909 -7.098 8.483 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 117.438 -8.505 9.272 1.00 4.48 H new