USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1070 hydrogens (13 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= -3.95! C(o=-4.4!,f=-3.6!) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.484 K(o=-4.4,f=-3.6) USER MOD Set 2.1: A 378 THR OG1 : rot 180:sc= 0.116 USER MOD Set 2.2: A 381 SER OG : rot -79:sc= 0.121 USER MOD Single : A 316 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.67) USER MOD Single : A 318 GLN : amide:sc= -1.89! C(o=-1.9!,f=-5.1!) USER MOD Single : A 320 SER OG : rot -140:sc= -0.533 USER MOD Single : A 326 GLN : amide:sc= 0.251 X(o=0.25,f=-0.099) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -179:sc= -0.171 USER MOD Single : A 338 GLN : amide:sc= -20.3! C(o=-20!,f=-35!) USER MOD Single : A 341 SER OG : rot 2:sc= -4.23! USER MOD Single : A 346 THR OG1 : rot 23:sc= -0.234 USER MOD Single : A 351 SER OG : rot -70:sc= -0.116! USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.012) USER MOD Single : A 361 ASN : amide:sc=-0.000658 X(o=-0.00066,f=-0.02) USER MOD Single : A 368 GLN : amide:sc=-0.000375 K(o=-0.00038,f=-1.6!) USER MOD Single : A 369 SER OG : rot -48:sc= -0.922! USER MOD Single : A 371 HIS : no HD1:sc= -0.0927 K(o=-0.093,f=-0.82) 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 383 MET CE :methyl -104:sc= -4.22! (180deg=-11.1!) USER MOD Single : A 384 SER OG : rot -139:sc= 0.124 USER MOD Single : A 387 ASN : amide:sc= -6! K(o=-6!,f=-3.4) USER MOD Single : A 390 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.6) USER MOD Single : A 392 MET CE :methyl 132:sc= -0.124 (180deg=-0.953) USER MOD Single : A 395 LYS NZ :NH3+ 175:sc= -11.6! (180deg=-11.7!) USER MOD Single : A 397 SER OG : rot 92:sc= -0.611 USER MOD Single : A 411 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-2.1!) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -0.917! K(o=-0.92!,f=0) USER MOD Single : A 419 LYS NZ :NH3+ 158:sc=-0.00805 (180deg=-0.784) USER MOD Single : A 422 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.6) USER MOD Single : A 426 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.47) 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+ -131:sc= -0.0846 (180deg=-0.766) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1001 ANP O2' : rot -20:sc= -2.57! USER MOD Single : A1001 ANP O3' : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 118.965 -7.417 -3.384 1.00 4.45 N ATOM 2 CA ASN A 316 117.553 -7.066 -3.718 1.00 3.89 C ATOM 3 C ASN A 316 116.880 -6.383 -2.523 1.00 2.72 C ATOM 4 O ASN A 316 117.449 -6.278 -1.454 1.00 2.74 O ATOM 5 CB ASN A 316 116.870 -8.400 -4.027 1.00 4.56 C ATOM 6 CG ASN A 316 115.541 -8.140 -4.739 1.00 5.35 C ATOM 7 OD1 ASN A 316 115.518 -7.610 -5.831 1.00 5.50 O ATOM 8 ND2 ASN A 316 114.426 -8.492 -4.160 1.00 6.08 N ATOM 0 HA ASN A 316 117.490 -6.374 -4.558 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.516 -9.015 -4.653 1.00 4.56 H new ATOM 0 HB3 ASN A 316 116.698 -8.955 -3.105 1.00 4.56 H new ATOM 0 HD21 ASN A 316 113.534 -8.322 -4.625 1.00 6.08 H new ATOM 0 HD22 ASN A 316 114.446 -8.937 -3.243 1.00 6.08 H new ATOM 15 N ARG A 317 115.673 -5.920 -2.696 1.00 2.20 N ATOM 16 CA ARG A 317 114.964 -5.244 -1.571 1.00 1.30 C ATOM 17 C ARG A 317 113.549 -5.805 -1.423 1.00 1.48 C ATOM 18 O ARG A 317 112.860 -6.051 -2.392 1.00 1.26 O ATOM 19 CB ARG A 317 114.920 -3.766 -1.961 1.00 1.52 C ATOM 20 CG ARG A 317 116.343 -3.208 -2.010 1.00 2.49 C ATOM 21 CD ARG A 317 116.295 -1.705 -2.294 1.00 3.27 C ATOM 22 NE ARG A 317 117.714 -1.310 -2.518 1.00 4.34 N ATOM 23 CZ ARG A 317 118.016 -0.069 -2.788 1.00 5.21 C ATOM 24 NH1 ARG A 317 117.078 0.836 -2.866 1.00 5.83 N ATOM 25 NH2 ARG A 317 119.262 0.268 -2.983 1.00 5.72 N ATOM 0 H ARG A 317 115.146 -5.980 -3.567 1.00 2.20 H new ATOM 0 HA ARG A 317 115.465 -5.397 -0.615 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.439 -3.650 -2.932 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.323 -3.207 -1.240 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.850 -3.393 -1.063 1.00 2.49 H new ATOM 0 HG3 ARG A 317 116.918 -3.717 -2.784 1.00 2.49 H new ATOM 0 HD2 ARG A 317 115.682 -1.488 -3.169 1.00 3.27 H new ATOM 0 HD3 ARG A 317 115.861 -1.159 -1.457 1.00 3.27 H new ATOM 0 HE ARG A 317 118.452 -2.012 -2.460 1.00 4.34 H new ATOM 0 HH11 ARG A 317 116.104 0.575 -2.716 1.00 5.83 H new ATOM 0 HH12 ARG A 317 117.320 1.804 -3.077 1.00 5.83 H new ATOM 0 HH21 ARG A 317 119.996 -0.437 -2.924 1.00 5.72 H new ATOM 0 HH22 ARG A 317 119.501 1.237 -3.194 1.00 5.72 H new ATOM 39 N GLN A 318 113.103 -5.984 -0.210 1.00 2.19 N ATOM 40 CA GLN A 318 111.720 -6.503 0.008 1.00 2.64 C ATOM 41 C GLN A 318 111.127 -5.903 1.285 1.00 2.16 C ATOM 42 O GLN A 318 111.838 -5.556 2.202 1.00 2.69 O ATOM 43 CB GLN A 318 111.884 -8.016 0.159 1.00 3.37 C ATOM 44 CG GLN A 318 112.671 -8.321 1.436 1.00 4.16 C ATOM 45 CD GLN A 318 112.820 -9.835 1.594 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.681 -10.440 0.987 1.00 4.85 O ATOM 47 NE2 GLN A 318 112.012 -10.477 2.392 1.00 5.58 N ATOM 0 H GLN A 318 113.634 -5.794 0.640 1.00 2.19 H new ATOM 0 HA GLN A 318 111.048 -6.243 -0.810 1.00 2.64 H new ATOM 0 HB2 GLN A 318 110.906 -8.496 0.199 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.404 -8.424 -0.707 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.653 -7.851 1.391 1.00 4.16 H new ATOM 0 HG3 GLN A 318 112.157 -7.903 2.301 1.00 4.16 H new ATOM 0 HE21 GLN A 318 111.289 -9.969 2.902 1.00 5.58 H new ATOM 0 HE22 GLN A 318 112.103 -11.486 2.506 1.00 5.58 H new ATOM 56 N ALA A 319 109.827 -5.843 1.384 1.00 1.32 N ATOM 57 CA ALA A 319 109.206 -5.336 2.642 1.00 1.05 C ATOM 58 C ALA A 319 109.406 -6.342 3.771 1.00 0.89 C ATOM 59 O ALA A 319 109.128 -7.516 3.625 1.00 1.18 O ATOM 60 CB ALA A 319 107.721 -5.195 2.331 1.00 1.42 C ATOM 0 H ALA A 319 109.171 -6.121 0.654 1.00 1.32 H new ATOM 0 HA ALA A 319 109.650 -4.393 2.961 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.198 -4.825 3.213 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.587 -4.493 1.508 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.315 -6.166 2.049 1.00 1.42 H new ATOM 66 N SER A 320 109.785 -5.879 4.927 1.00 0.59 N ATOM 67 CA SER A 320 109.878 -6.799 6.093 1.00 0.64 C ATOM 68 C SER A 320 108.783 -6.478 7.116 1.00 0.49 C ATOM 69 O SER A 320 108.209 -7.362 7.720 1.00 0.50 O ATOM 70 CB SER A 320 111.264 -6.555 6.686 1.00 0.78 C ATOM 71 OG SER A 320 112.199 -7.434 6.075 1.00 1.60 O ATOM 0 H SER A 320 110.034 -4.908 5.115 1.00 0.59 H new ATOM 0 HA SER A 320 109.740 -7.841 5.806 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.563 -5.519 6.526 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.245 -6.718 7.764 1.00 0.78 H new ATOM 0 HG SER A 320 112.825 -7.768 6.751 1.00 1.60 H new ATOM 77 N GLU A 321 108.507 -5.221 7.336 1.00 0.45 N ATOM 78 CA GLU A 321 107.470 -4.852 8.346 1.00 0.44 C ATOM 79 C GLU A 321 106.745 -3.567 7.939 1.00 0.37 C ATOM 80 O GLU A 321 107.340 -2.647 7.429 1.00 0.35 O ATOM 81 CB GLU A 321 108.241 -4.635 9.644 1.00 0.59 C ATOM 82 CG GLU A 321 107.270 -4.202 10.741 1.00 0.73 C ATOM 83 CD GLU A 321 108.050 -3.895 12.022 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.265 -3.995 11.991 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.417 -3.566 13.012 1.00 1.82 O ATOM 0 H GLU A 321 108.952 -4.435 6.863 1.00 0.45 H new ATOM 0 HA GLU A 321 106.707 -5.624 8.442 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.751 -5.553 9.935 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.009 -3.875 9.502 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.713 -3.321 10.422 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.540 -4.990 10.927 1.00 0.73 H new ATOM 92 N PHE A 322 105.488 -3.458 8.268 1.00 0.40 N ATOM 93 CA PHE A 322 104.755 -2.180 8.016 1.00 0.37 C ATOM 94 C PHE A 322 104.283 -1.568 9.336 1.00 0.38 C ATOM 95 O PHE A 322 103.899 -2.266 10.253 1.00 0.42 O ATOM 96 CB PHE A 322 103.562 -2.566 7.142 1.00 0.41 C ATOM 97 CG PHE A 322 102.868 -3.765 7.734 1.00 0.52 C ATOM 98 CD1 PHE A 322 101.864 -3.593 8.696 1.00 0.94 C ATOM 99 CD2 PHE A 322 103.230 -5.055 7.320 1.00 0.67 C ATOM 100 CE1 PHE A 322 101.222 -4.711 9.245 1.00 1.14 C ATOM 101 CE2 PHE A 322 102.587 -6.173 7.869 1.00 0.87 C ATOM 102 CZ PHE A 322 101.583 -6.001 8.831 1.00 1.00 C ATOM 0 H PHE A 322 104.934 -4.197 8.701 1.00 0.40 H new ATOM 0 HA PHE A 322 105.386 -1.435 7.532 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.866 -1.730 7.069 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.898 -2.791 6.130 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.585 -2.599 9.014 1.00 0.94 H new ATOM 0 HD2 PHE A 322 104.004 -5.187 6.578 1.00 0.67 H new ATOM 0 HE1 PHE A 322 100.449 -4.579 9.987 1.00 1.14 H new ATOM 0 HE2 PHE A 322 102.865 -7.167 7.551 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.087 -6.862 9.254 1.00 1.00 H new ATOM 112 N ILE A 323 104.244 -0.265 9.413 1.00 0.37 N ATOM 113 CA ILE A 323 103.720 0.390 10.648 1.00 0.41 C ATOM 114 C ILE A 323 102.663 1.440 10.289 1.00 0.43 C ATOM 115 O ILE A 323 102.833 2.195 9.351 1.00 0.53 O ATOM 116 CB ILE A 323 104.921 1.063 11.306 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.143 0.144 11.227 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.588 1.339 12.772 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.842 -1.169 11.951 1.00 0.52 C ATOM 0 H ILE A 323 104.551 0.373 8.678 1.00 0.37 H new ATOM 0 HA ILE A 323 103.248 -0.334 11.312 1.00 0.41 H new ATOM 0 HB ILE A 323 105.145 1.996 10.790 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.396 -0.053 10.185 1.00 0.46 H new ATOM 0 HG13 ILE A 323 107.007 0.631 11.679 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.439 1.820 13.254 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.719 1.995 12.831 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.368 0.399 13.278 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.712 -1.823 11.895 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.610 -0.963 12.996 1.00 0.52 H new ATOM 0 HD13 ILE A 323 104.990 -1.658 11.479 1.00 0.52 H new ATOM 131 N PRO A 324 101.578 1.411 11.017 1.00 0.36 N ATOM 132 CA PRO A 324 100.441 2.321 10.734 1.00 0.40 C ATOM 133 C PRO A 324 100.847 3.786 10.885 1.00 0.64 C ATOM 134 O PRO A 324 101.724 4.124 11.656 1.00 1.44 O ATOM 135 CB PRO A 324 99.392 1.968 11.781 1.00 0.33 C ATOM 136 CG PRO A 324 99.839 0.691 12.415 1.00 0.30 C ATOM 137 CD PRO A 324 101.313 0.536 12.160 1.00 0.29 C ATOM 0 HA PRO A 324 100.081 2.202 9.712 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.304 2.760 12.524 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.410 1.851 11.322 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.637 0.706 13.486 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.290 -0.154 11.999 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.900 0.830 13.030 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.571 -0.499 11.936 1.00 0.29 H new ATOM 145 N ALA A 325 100.099 4.663 10.277 1.00 0.75 N ATOM 146 CA ALA A 325 100.303 6.115 10.516 1.00 0.98 C ATOM 147 C ALA A 325 99.623 6.521 11.822 1.00 0.81 C ATOM 148 O ALA A 325 99.284 5.691 12.642 1.00 1.11 O ATOM 149 CB ALA A 325 99.634 6.808 9.328 1.00 1.58 C ATOM 0 H ALA A 325 99.352 4.434 9.622 1.00 0.75 H new ATOM 0 HA ALA A 325 101.356 6.382 10.601 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.741 7.888 9.429 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.108 6.482 8.402 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.576 6.549 9.304 1.00 1.58 H new ATOM 155 N GLN A 326 99.449 7.792 12.034 1.00 0.91 N ATOM 156 CA GLN A 326 98.819 8.253 13.302 1.00 1.48 C ATOM 157 C GLN A 326 97.385 7.720 13.413 1.00 1.32 C ATOM 158 O GLN A 326 96.464 8.267 12.838 1.00 1.83 O ATOM 159 CB GLN A 326 98.817 9.779 13.199 1.00 2.25 C ATOM 160 CG GLN A 326 98.323 10.380 14.518 1.00 3.14 C ATOM 161 CD GLN A 326 98.208 11.899 14.377 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.502 12.389 13.518 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.877 12.670 15.190 1.00 3.92 N ATOM 0 H GLN A 326 99.715 8.533 11.386 1.00 0.91 H new ATOM 0 HA GLN A 326 99.353 7.898 14.183 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.821 10.140 12.976 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.174 10.098 12.379 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.355 9.955 14.783 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.013 10.130 15.324 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.470 12.259 15.911 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.807 13.684 15.104 1.00 3.92 H new ATOM 172 N GLY A 327 97.173 6.721 14.231 1.00 1.28 N ATOM 173 CA GLY A 327 95.781 6.235 14.473 1.00 1.48 C ATOM 174 C GLY A 327 95.426 5.115 13.487 1.00 1.24 C ATOM 175 O GLY A 327 94.268 4.833 13.254 1.00 1.52 O ATOM 0 H GLY A 327 97.902 6.222 14.741 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.689 5.870 15.496 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.077 7.060 14.365 1.00 1.48 H new ATOM 179 N VAL A 328 96.402 4.517 12.861 1.00 0.93 N ATOM 180 CA VAL A 328 96.100 3.467 11.841 1.00 1.03 C ATOM 181 C VAL A 328 96.385 2.066 12.398 1.00 1.06 C ATOM 182 O VAL A 328 97.268 1.878 13.211 1.00 1.71 O ATOM 183 CB VAL A 328 97.031 3.774 10.670 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.795 2.754 9.554 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.738 5.180 10.143 1.00 1.57 C ATOM 0 H VAL A 328 97.393 4.707 13.009 1.00 0.93 H new ATOM 0 HA VAL A 328 95.050 3.477 11.548 1.00 1.03 H new ATOM 0 HB VAL A 328 98.067 3.718 11.003 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.458 2.971 8.717 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.999 1.751 9.929 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.759 2.813 9.221 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.402 5.401 9.307 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.702 5.235 9.808 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.901 5.908 10.938 1.00 1.57 H new ATOM 195 N ASP A 329 95.668 1.074 11.936 1.00 1.16 N ATOM 196 CA ASP A 329 95.931 -0.322 12.397 1.00 1.20 C ATOM 197 C ASP A 329 97.014 -0.976 11.527 1.00 1.16 C ATOM 198 O ASP A 329 97.122 -0.703 10.347 1.00 1.39 O ATOM 199 CB ASP A 329 94.597 -1.051 12.232 1.00 1.44 C ATOM 200 CG ASP A 329 93.572 -0.463 13.202 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.978 0.269 14.090 1.00 1.69 O ATOM 202 OD2 ASP A 329 92.398 -0.754 13.042 1.00 2.02 O ATOM 0 H ASP A 329 94.911 1.171 11.259 1.00 1.16 H new ATOM 0 HA ASP A 329 96.290 -0.356 13.426 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.241 -0.953 11.206 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.726 -2.116 12.424 1.00 1.44 H new ATOM 207 N GLU A 330 97.869 -1.771 12.117 1.00 1.13 N ATOM 208 CA GLU A 330 99.004 -2.362 11.342 1.00 1.11 C ATOM 209 C GLU A 330 98.486 -3.329 10.273 1.00 0.97 C ATOM 210 O GLU A 330 98.962 -3.344 9.156 1.00 0.91 O ATOM 211 CB GLU A 330 99.837 -3.114 12.381 1.00 1.28 C ATOM 212 CG GLU A 330 99.105 -4.391 12.800 1.00 1.68 C ATOM 213 CD GLU A 330 99.879 -5.079 13.926 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.957 -4.608 14.249 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.381 -6.064 14.445 1.00 2.49 O ATOM 0 H GLU A 330 97.831 -2.037 13.101 1.00 1.13 H new ATOM 0 HA GLU A 330 99.582 -1.600 10.819 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.815 -3.362 11.968 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.010 -2.480 13.251 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.095 -4.151 13.133 1.00 1.68 H new ATOM 0 HG3 GLU A 330 99.008 -5.063 11.948 1.00 1.68 H new ATOM 222 N LYS A 331 97.504 -4.123 10.596 1.00 0.98 N ATOM 223 CA LYS A 331 96.954 -5.068 9.582 1.00 0.92 C ATOM 224 C LYS A 331 96.387 -4.292 8.392 1.00 0.81 C ATOM 225 O LYS A 331 96.611 -4.635 7.247 1.00 0.80 O ATOM 226 CB LYS A 331 95.845 -5.831 10.305 1.00 1.02 C ATOM 227 CG LYS A 331 95.313 -6.938 9.395 1.00 1.49 C ATOM 228 CD LYS A 331 94.270 -7.763 10.149 1.00 2.27 C ATOM 229 CE LYS A 331 93.026 -6.908 10.400 1.00 2.60 C ATOM 230 NZ LYS A 331 91.875 -7.808 10.109 1.00 3.03 N ATOM 0 H LYS A 331 97.059 -4.160 11.513 1.00 0.98 H new ATOM 0 HA LYS A 331 97.716 -5.740 9.189 1.00 0.92 H new ATOM 0 HB2 LYS A 331 96.228 -6.259 11.231 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.038 -5.150 10.578 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.870 -6.504 8.498 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.132 -7.579 9.068 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.005 -8.649 9.572 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.682 -8.111 11.096 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.995 -6.548 11.428 1.00 2.60 H new ATOM 0 HE3 LYS A 331 93.014 -6.030 9.754 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 90.984 -7.292 10.259 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 91.927 -8.130 9.121 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 91.909 -8.631 10.743 1.00 3.03 H new ATOM 244 N THR A 332 95.676 -3.231 8.650 1.00 0.78 N ATOM 245 CA THR A 332 95.119 -2.421 7.531 1.00 0.74 C ATOM 246 C THR A 332 96.249 -1.891 6.646 1.00 0.65 C ATOM 247 O THR A 332 96.176 -1.936 5.435 1.00 0.66 O ATOM 248 CB THR A 332 94.387 -1.264 8.210 1.00 0.77 C ATOM 249 OG1 THR A 332 93.389 -1.782 9.080 1.00 0.90 O ATOM 250 CG2 THR A 332 93.735 -0.378 7.149 1.00 0.82 C ATOM 0 H THR A 332 95.456 -2.890 9.586 1.00 0.78 H new ATOM 0 HA THR A 332 94.459 -3.004 6.888 1.00 0.74 H new ATOM 0 HB THR A 332 95.098 -0.671 8.786 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.909 -1.041 9.505 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.213 0.447 7.634 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.503 0.019 6.485 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.024 -0.967 6.570 1.00 0.82 H new ATOM 258 N LEU A 333 97.283 -1.363 7.239 1.00 0.59 N ATOM 259 CA LEU A 333 98.396 -0.801 6.425 1.00 0.57 C ATOM 260 C LEU A 333 99.037 -1.880 5.546 1.00 0.58 C ATOM 261 O LEU A 333 99.305 -1.665 4.381 1.00 0.54 O ATOM 262 CB LEU A 333 99.405 -0.282 7.444 1.00 0.68 C ATOM 263 CG LEU A 333 100.742 -0.032 6.748 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.563 1.018 5.651 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.756 0.470 7.771 1.00 0.87 C ATOM 0 H LEU A 333 97.405 -1.296 8.249 1.00 0.59 H new ATOM 0 HA LEU A 333 98.046 -0.020 5.750 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.040 0.640 7.897 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.531 -1.006 8.249 1.00 0.68 H new ATOM 0 HG LEU A 333 101.099 -0.961 6.303 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.518 1.194 5.157 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.837 0.661 4.921 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.206 1.948 6.093 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.712 0.650 7.278 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.396 1.398 8.214 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.886 -0.279 8.552 1.00 0.87 H new ATOM 277 N ALA A 334 99.281 -3.034 6.089 1.00 0.66 N ATOM 278 CA ALA A 334 99.904 -4.112 5.277 1.00 0.73 C ATOM 279 C ALA A 334 99.007 -4.443 4.085 1.00 0.68 C ATOM 280 O ALA A 334 99.464 -4.673 2.987 1.00 0.66 O ATOM 281 CB ALA A 334 100.005 -5.308 6.224 1.00 0.87 C ATOM 0 H ALA A 334 99.077 -3.279 7.058 1.00 0.66 H new ATOM 0 HA ALA A 334 100.878 -3.829 4.878 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.457 -6.150 5.700 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.622 -5.042 7.082 1.00 0.87 H new ATOM 0 HB3 ALA A 334 99.008 -5.586 6.566 1.00 0.87 H new ATOM 287 N ASP A 335 97.732 -4.483 4.300 1.00 0.67 N ATOM 288 CA ASP A 335 96.801 -4.829 3.190 1.00 0.65 C ATOM 289 C ASP A 335 96.853 -3.785 2.070 1.00 0.62 C ATOM 290 O ASP A 335 96.904 -4.118 0.903 1.00 0.69 O ATOM 291 CB ASP A 335 95.426 -4.832 3.835 1.00 0.67 C ATOM 292 CG ASP A 335 94.385 -5.319 2.826 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.779 -5.706 1.738 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.211 -5.296 3.158 1.00 1.61 O ATOM 0 H ASP A 335 97.286 -4.291 5.197 1.00 0.67 H new ATOM 0 HA ASP A 335 97.059 -5.783 2.731 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.427 -5.479 4.712 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.172 -3.829 4.178 1.00 0.67 H new ATOM 299 N ALA A 336 96.843 -2.524 2.410 1.00 0.60 N ATOM 300 CA ALA A 336 96.889 -1.473 1.352 1.00 0.62 C ATOM 301 C ALA A 336 98.201 -1.565 0.578 1.00 0.51 C ATOM 302 O ALA A 336 98.236 -1.374 -0.619 1.00 0.55 O ATOM 303 CB ALA A 336 96.789 -0.138 2.093 1.00 0.76 C ATOM 0 H ALA A 336 96.805 -2.177 3.369 1.00 0.60 H new ATOM 0 HA ALA A 336 96.083 -1.587 0.627 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.817 0.680 1.374 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.853 -0.100 2.650 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.626 -0.042 2.784 1.00 0.76 H new ATOM 309 N ALA A 337 99.275 -1.881 1.239 1.00 0.46 N ATOM 310 CA ALA A 337 100.571 -2.004 0.508 1.00 0.50 C ATOM 311 C ALA A 337 100.506 -3.158 -0.496 1.00 0.62 C ATOM 312 O ALA A 337 101.097 -3.102 -1.555 1.00 0.72 O ATOM 313 CB ALA A 337 101.624 -2.285 1.579 1.00 0.50 C ATOM 0 H ALA A 337 99.317 -2.059 2.243 1.00 0.46 H new ATOM 0 HA ALA A 337 100.805 -1.101 -0.056 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.602 -2.387 1.109 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.647 -1.460 2.291 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.374 -3.209 2.101 1.00 0.50 H new ATOM 319 N GLN A 338 99.802 -4.211 -0.172 1.00 0.71 N ATOM 320 CA GLN A 338 99.723 -5.363 -1.119 1.00 0.91 C ATOM 321 C GLN A 338 98.937 -4.983 -2.375 1.00 0.94 C ATOM 322 O GLN A 338 99.371 -5.225 -3.481 1.00 1.06 O ATOM 323 CB GLN A 338 98.987 -6.475 -0.372 1.00 1.03 C ATOM 324 CG GLN A 338 99.618 -6.779 1.000 1.00 1.03 C ATOM 325 CD GLN A 338 101.070 -6.266 1.116 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.838 -6.337 0.184 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.482 -5.763 2.246 1.00 0.69 N ATOM 0 H GLN A 338 99.283 -4.323 0.699 1.00 0.71 H new ATOM 0 HA GLN A 338 100.719 -5.672 -1.438 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.945 -6.188 -0.234 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.990 -7.380 -0.979 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.012 -6.323 1.783 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.603 -7.855 1.172 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.843 -5.698 3.038 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.443 -5.434 2.338 1.00 0.69 H new ATOM 336 N LEU A 339 97.736 -4.504 -2.224 1.00 0.86 N ATOM 337 CA LEU A 339 96.905 -4.254 -3.440 1.00 0.90 C ATOM 338 C LEU A 339 97.502 -3.107 -4.265 1.00 0.84 C ATOM 339 O LEU A 339 97.507 -3.148 -5.480 1.00 1.00 O ATOM 340 CB LEU A 339 95.496 -3.910 -2.945 1.00 0.80 C ATOM 341 CG LEU A 339 95.551 -2.969 -1.743 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.824 -1.671 -2.087 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.852 -3.642 -0.559 1.00 1.58 C ATOM 0 H LEU A 339 97.297 -4.277 -1.332 1.00 0.86 H new ATOM 0 HA LEU A 339 96.877 -5.128 -4.091 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.928 -3.444 -3.750 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.970 -4.824 -2.671 1.00 0.80 H new ATOM 0 HG LEU A 339 96.588 -2.749 -1.488 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.860 -0.996 -1.232 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.307 -1.199 -2.943 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.785 -1.890 -2.332 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.884 -2.980 0.307 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.814 -3.849 -0.819 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.360 -4.577 -0.320 1.00 1.58 H new ATOM 355 N ALA A 340 98.058 -2.117 -3.623 1.00 0.74 N ATOM 356 CA ALA A 340 98.713 -1.012 -4.384 1.00 0.93 C ATOM 357 C ALA A 340 99.957 -1.532 -5.109 1.00 1.36 C ATOM 358 O ALA A 340 100.457 -0.909 -6.026 1.00 2.24 O ATOM 359 CB ALA A 340 99.107 0.020 -3.328 1.00 0.82 C ATOM 0 H ALA A 340 98.088 -2.024 -2.608 1.00 0.74 H new ATOM 0 HA ALA A 340 98.054 -0.590 -5.143 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.596 0.866 -3.811 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.215 0.366 -2.807 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.792 -0.435 -2.612 1.00 0.82 H new ATOM 365 N SER A 341 100.435 -2.687 -4.737 1.00 1.07 N ATOM 366 CA SER A 341 101.619 -3.262 -5.442 1.00 1.44 C ATOM 367 C SER A 341 101.162 -4.250 -6.521 1.00 1.51 C ATOM 368 O SER A 341 101.893 -4.559 -7.441 1.00 2.65 O ATOM 369 CB SER A 341 102.443 -3.966 -4.359 1.00 2.84 C ATOM 370 OG SER A 341 101.651 -4.963 -3.737 1.00 3.56 O ATOM 0 H SER A 341 100.060 -3.257 -3.979 1.00 1.07 H new ATOM 0 HA SER A 341 102.208 -2.497 -5.948 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.333 -4.415 -4.799 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.784 -3.243 -3.618 1.00 2.84 H new ATOM 0 HG SER A 341 100.770 -4.995 -4.165 1.00 3.56 H new ATOM 376 N LEU A 342 99.936 -4.691 -6.455 1.00 1.19 N ATOM 377 CA LEU A 342 99.412 -5.592 -7.524 1.00 2.40 C ATOM 378 C LEU A 342 99.511 -4.902 -8.887 1.00 2.59 C ATOM 379 O LEU A 342 99.504 -5.539 -9.921 1.00 3.62 O ATOM 380 CB LEU A 342 97.943 -5.832 -7.172 1.00 3.39 C ATOM 381 CG LEU A 342 97.841 -6.602 -5.857 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.379 -6.975 -5.602 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.682 -7.878 -5.948 1.00 3.74 C ATOM 0 H LEU A 342 99.275 -4.468 -5.711 1.00 1.19 H new ATOM 0 HA LEU A 342 99.977 -6.522 -7.582 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.420 -4.879 -7.087 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.456 -6.392 -7.970 1.00 3.39 H new ATOM 0 HG LEU A 342 98.209 -5.981 -5.040 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.302 -7.525 -4.664 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.777 -6.068 -5.541 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.015 -7.598 -6.419 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.610 -8.429 -5.010 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.312 -8.500 -6.763 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.723 -7.615 -6.136 1.00 3.74 H new ATOM 395 N ALA A 343 99.508 -3.596 -8.896 1.00 2.04 N ATOM 396 CA ALA A 343 99.497 -2.854 -10.190 1.00 2.90 C ATOM 397 C ALA A 343 100.924 -2.596 -10.683 1.00 2.34 C ATOM 398 O ALA A 343 101.130 -2.148 -11.795 1.00 2.96 O ATOM 399 CB ALA A 343 98.788 -1.536 -9.880 1.00 3.81 C ATOM 0 H ALA A 343 99.513 -3.010 -8.061 1.00 2.04 H new ATOM 0 HA ALA A 343 98.996 -3.416 -10.978 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.738 -0.929 -10.784 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.778 -1.741 -9.524 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.341 -0.997 -9.111 1.00 3.81 H new ATOM 405 N ASP A 344 101.912 -2.890 -9.885 1.00 1.46 N ATOM 406 CA ASP A 344 103.315 -2.676 -10.342 1.00 1.77 C ATOM 407 C ASP A 344 103.919 -3.997 -10.829 1.00 1.92 C ATOM 408 O ASP A 344 103.710 -5.039 -10.243 1.00 1.99 O ATOM 409 CB ASP A 344 104.063 -2.157 -9.112 1.00 1.69 C ATOM 410 CG ASP A 344 104.310 -3.307 -8.134 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.027 -4.225 -8.499 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.783 -3.249 -7.037 1.00 1.89 O ATOM 0 H ASP A 344 101.811 -3.267 -8.942 1.00 1.46 H new ATOM 0 HA ASP A 344 103.376 -1.975 -11.175 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.012 -1.713 -9.412 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.483 -1.372 -8.626 1.00 1.69 H new ATOM 417 N GLU A 345 104.686 -3.956 -11.885 1.00 2.10 N ATOM 418 CA GLU A 345 105.323 -5.206 -12.390 1.00 2.37 C ATOM 419 C GLU A 345 106.732 -5.350 -11.811 1.00 2.30 C ATOM 420 O GLU A 345 107.475 -6.240 -12.173 1.00 2.51 O ATOM 421 CB GLU A 345 105.378 -5.042 -13.910 1.00 2.66 C ATOM 422 CG GLU A 345 103.957 -4.895 -14.459 1.00 2.29 C ATOM 423 CD GLU A 345 104.007 -4.809 -15.985 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.098 -4.691 -16.517 1.00 2.87 O ATOM 425 OE2 GLU A 345 102.952 -4.862 -16.596 1.00 2.99 O ATOM 0 H GLU A 345 104.899 -3.113 -12.419 1.00 2.10 H new ATOM 0 HA GLU A 345 104.768 -6.098 -12.100 1.00 2.37 H new ATOM 0 HB2 GLU A 345 105.972 -4.166 -14.171 1.00 2.66 H new ATOM 0 HB3 GLU A 345 105.867 -5.905 -14.362 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.347 -5.745 -14.152 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.488 -4.001 -14.049 1.00 2.29 H new ATOM 432 N THR A 346 107.095 -4.493 -10.898 1.00 2.06 N ATOM 433 CA THR A 346 108.445 -4.593 -10.274 1.00 2.06 C ATOM 434 C THR A 346 108.463 -5.724 -9.243 1.00 1.91 C ATOM 435 O THR A 346 107.488 -5.951 -8.554 1.00 1.73 O ATOM 436 CB THR A 346 108.670 -3.242 -9.596 1.00 2.02 C ATOM 437 OG1 THR A 346 107.534 -2.914 -8.809 1.00 1.96 O ATOM 438 CG2 THR A 346 108.885 -2.165 -10.660 1.00 2.07 C ATOM 0 H THR A 346 106.515 -3.727 -10.556 1.00 2.06 H new ATOM 0 HA THR A 346 109.224 -4.814 -11.003 1.00 2.06 H new ATOM 0 HB THR A 346 109.551 -3.298 -8.957 1.00 2.02 H new ATOM 0 HG1 THR A 346 107.047 -3.733 -8.581 1.00 1.96 H new ATOM 0 HG21 THR A 346 109.045 -1.202 -10.176 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.757 -2.418 -11.263 1.00 2.07 H new ATOM 0 HG23 THR A 346 108.006 -2.107 -11.301 1.00 2.07 H new ATOM 446 N PRO A 347 109.581 -6.392 -9.167 1.00 2.03 N ATOM 447 CA PRO A 347 109.733 -7.509 -8.203 1.00 1.99 C ATOM 448 C PRO A 347 109.516 -7.007 -6.774 1.00 1.79 C ATOM 449 O PRO A 347 109.020 -7.719 -5.923 1.00 1.68 O ATOM 450 CB PRO A 347 111.174 -7.985 -8.401 1.00 2.25 C ATOM 451 CG PRO A 347 111.855 -6.910 -9.192 1.00 2.38 C ATOM 452 CD PRO A 347 110.791 -6.172 -9.958 1.00 2.29 C ATOM 0 HA PRO A 347 109.009 -8.308 -8.363 1.00 1.99 H new ATOM 0 HB2 PRO A 347 111.670 -8.139 -7.443 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.202 -8.937 -8.931 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.394 -6.230 -8.532 1.00 2.38 H new ATOM 0 HG3 PRO A 347 112.589 -7.341 -9.873 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.024 -5.111 -10.047 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.684 -6.561 -10.971 1.00 2.29 H new ATOM 460 N GLU A 348 109.873 -5.780 -6.506 1.00 1.76 N ATOM 461 CA GLU A 348 109.676 -5.229 -5.135 1.00 1.64 C ATOM 462 C GLU A 348 108.183 -5.156 -4.805 1.00 1.41 C ATOM 463 O GLU A 348 107.759 -5.488 -3.717 1.00 1.31 O ATOM 464 CB GLU A 348 110.286 -3.827 -5.187 1.00 1.72 C ATOM 465 CG GLU A 348 111.793 -3.939 -5.434 1.00 2.14 C ATOM 466 CD GLU A 348 112.411 -2.541 -5.470 1.00 2.49 C ATOM 467 OE1 GLU A 348 111.660 -1.585 -5.560 1.00 2.49 O ATOM 468 OE2 GLU A 348 113.627 -2.451 -5.407 1.00 3.25 O ATOM 0 H GLU A 348 110.292 -5.136 -7.177 1.00 1.76 H new ATOM 0 HA GLU A 348 110.139 -5.848 -4.366 1.00 1.64 H new ATOM 0 HB2 GLU A 348 109.818 -3.244 -5.980 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.097 -3.301 -4.251 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.258 -4.533 -4.647 1.00 2.14 H new ATOM 0 HG3 GLU A 348 111.980 -4.455 -6.376 1.00 2.14 H new ATOM 475 N GLY A 349 107.371 -4.787 -5.755 1.00 1.42 N ATOM 476 CA GLY A 349 105.901 -4.769 -5.512 1.00 1.30 C ATOM 477 C GLY A 349 105.431 -6.174 -5.134 1.00 1.23 C ATOM 478 O GLY A 349 104.538 -6.344 -4.325 1.00 1.23 O ATOM 0 H GLY A 349 107.661 -4.497 -6.689 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.662 -4.067 -4.713 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.378 -4.427 -6.405 1.00 1.30 H new ATOM 482 N ARG A 350 106.109 -7.181 -5.606 1.00 1.19 N ATOM 483 CA ARG A 350 105.787 -8.564 -5.156 1.00 1.15 C ATOM 484 C ARG A 350 106.360 -8.796 -3.764 1.00 1.06 C ATOM 485 O ARG A 350 105.754 -9.437 -2.932 1.00 0.94 O ATOM 486 CB ARG A 350 106.458 -9.483 -6.173 1.00 1.18 C ATOM 487 CG ARG A 350 106.145 -8.984 -7.579 1.00 1.81 C ATOM 488 CD ARG A 350 106.682 -9.980 -8.609 1.00 2.33 C ATOM 489 NE ARG A 350 106.473 -9.319 -9.927 1.00 2.77 N ATOM 490 CZ ARG A 350 106.607 -10.002 -11.034 1.00 3.16 C ATOM 491 NH1 ARG A 350 106.926 -11.269 -10.992 1.00 3.46 N ATOM 492 NH2 ARG A 350 106.421 -9.416 -12.185 1.00 3.62 N ATOM 0 H ARG A 350 106.870 -7.108 -6.282 1.00 1.19 H new ATOM 0 HA ARG A 350 104.714 -8.745 -5.099 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.536 -9.500 -6.011 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.101 -10.505 -6.049 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.069 -8.863 -7.702 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.596 -8.004 -7.737 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.737 -10.195 -8.438 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.150 -10.930 -8.555 1.00 2.33 H new ATOM 0 HE ARG A 350 106.225 -8.330 -9.966 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.071 -11.729 -10.093 1.00 3.46 H new ATOM 0 HH12 ARG A 350 107.029 -11.798 -11.858 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.172 -8.428 -12.220 1.00 3.62 H new ATOM 0 HH22 ARG A 350 106.525 -9.946 -13.050 1.00 3.62 H new ATOM 506 N SER A 351 107.511 -8.259 -3.490 1.00 1.15 N ATOM 507 CA SER A 351 108.093 -8.437 -2.130 1.00 1.10 C ATOM 508 C SER A 351 107.095 -7.946 -1.078 1.00 0.97 C ATOM 509 O SER A 351 106.899 -8.570 -0.058 1.00 0.87 O ATOM 510 CB SER A 351 109.358 -7.580 -2.116 1.00 1.25 C ATOM 511 OG SER A 351 109.006 -6.222 -1.893 1.00 2.40 O ATOM 0 H SER A 351 108.072 -7.709 -4.140 1.00 1.15 H new ATOM 0 HA SER A 351 108.317 -9.480 -1.905 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.035 -7.925 -1.334 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.888 -7.679 -3.063 1.00 1.25 H new ATOM 0 HG SER A 351 108.549 -5.868 -2.685 1.00 2.40 H new ATOM 517 N ILE A 352 106.439 -6.847 -1.333 1.00 1.00 N ATOM 518 CA ILE A 352 105.427 -6.335 -0.365 1.00 0.93 C ATOM 519 C ILE A 352 104.182 -7.242 -0.332 1.00 0.80 C ATOM 520 O ILE A 352 103.733 -7.637 0.725 1.00 0.70 O ATOM 521 CB ILE A 352 105.112 -4.925 -0.869 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.158 -3.968 -0.295 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.716 -4.484 -0.424 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.086 -2.630 -1.020 1.00 1.39 C ATOM 0 H ILE A 352 106.560 -6.280 -2.172 1.00 1.00 H new ATOM 0 HA ILE A 352 105.787 -6.324 0.664 1.00 0.93 H new ATOM 0 HB ILE A 352 105.137 -4.917 -1.959 1.00 1.08 H new ATOM 0 HG12 ILE A 352 105.986 -3.824 0.772 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.154 -4.397 -0.402 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.517 -3.479 -0.795 1.00 1.16 H new ATOM 0 HG22 ILE A 352 102.972 -5.173 -0.824 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.664 -4.486 0.665 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.833 -1.952 -0.607 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.280 -2.781 -2.082 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.093 -2.199 -0.890 1.00 1.39 H new ATOM 536 N VAL A 353 103.634 -7.604 -1.464 1.00 0.86 N ATOM 537 CA VAL A 353 102.444 -8.516 -1.442 1.00 0.82 C ATOM 538 C VAL A 353 102.781 -9.813 -0.694 1.00 0.77 C ATOM 539 O VAL A 353 101.977 -10.337 0.052 1.00 0.77 O ATOM 540 CB VAL A 353 102.121 -8.814 -2.907 1.00 0.97 C ATOM 541 CG1 VAL A 353 100.979 -9.828 -2.971 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.686 -7.525 -3.607 1.00 1.10 C ATOM 0 H VAL A 353 103.950 -7.315 -2.390 1.00 0.86 H new ATOM 0 HA VAL A 353 101.597 -8.060 -0.930 1.00 0.82 H new ATOM 0 HB VAL A 353 103.005 -9.217 -3.401 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.743 -10.045 -4.013 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.280 -10.747 -2.468 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.098 -9.416 -2.478 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.456 -7.738 -4.651 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.800 -7.125 -3.114 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.492 -6.793 -3.555 1.00 1.10 H new ATOM 552 N ILE A 354 104.016 -10.225 -0.738 1.00 0.79 N ATOM 553 CA ILE A 354 104.453 -11.359 0.129 1.00 0.84 C ATOM 554 C ILE A 354 104.478 -10.934 1.597 1.00 0.72 C ATOM 555 O ILE A 354 104.016 -11.644 2.464 1.00 0.77 O ATOM 556 CB ILE A 354 105.858 -11.699 -0.349 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.812 -12.098 -1.825 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.415 -12.856 0.482 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.228 -12.101 -2.400 1.00 1.36 C ATOM 0 H ILE A 354 104.742 -9.828 -1.334 1.00 0.79 H new ATOM 0 HA ILE A 354 103.777 -12.211 0.060 1.00 0.84 H new ATOM 0 HB ILE A 354 106.503 -10.829 -0.231 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.364 -13.086 -1.931 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.184 -11.401 -2.381 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.421 -13.099 0.139 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.450 -12.566 1.532 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.772 -13.729 0.368 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.193 -12.386 -3.452 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.660 -11.105 -2.308 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.842 -12.815 -1.851 1.00 1.36 H new ATOM 571 N LEU A 355 105.093 -9.830 1.895 1.00 0.63 N ATOM 572 CA LEU A 355 105.233 -9.424 3.323 1.00 0.62 C ATOM 573 C LEU A 355 103.894 -9.551 4.049 1.00 0.55 C ATOM 574 O LEU A 355 103.788 -10.192 5.073 1.00 0.61 O ATOM 575 CB LEU A 355 105.651 -7.961 3.272 1.00 0.64 C ATOM 576 CG LEU A 355 105.754 -7.406 4.696 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.902 -8.094 5.435 1.00 1.14 C ATOM 578 CD2 LEU A 355 106.018 -5.899 4.640 1.00 1.15 C ATOM 0 H LEU A 355 105.505 -9.189 1.217 1.00 0.63 H new ATOM 0 HA LEU A 355 105.950 -10.049 3.855 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.610 -7.864 2.763 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.925 -7.385 2.698 1.00 0.64 H new ATOM 0 HG LEU A 355 104.819 -7.594 5.223 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.973 -7.697 6.448 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.716 -9.167 5.478 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.837 -7.909 4.907 1.00 1.14 H new ATOM 0 HD21 LEU A 355 106.091 -5.505 5.653 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.952 -5.713 4.110 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.199 -5.405 4.117 1.00 1.15 H new ATOM 590 N ALA A 356 102.853 -9.019 3.479 1.00 0.52 N ATOM 591 CA ALA A 356 101.507 -9.195 4.090 1.00 0.54 C ATOM 592 C ALA A 356 101.144 -10.680 4.099 1.00 0.53 C ATOM 593 O ALA A 356 100.514 -11.183 5.013 1.00 0.57 O ATOM 594 CB ALA A 356 100.565 -8.410 3.179 1.00 0.61 C ATOM 0 H ALA A 356 102.874 -8.471 2.619 1.00 0.52 H new ATOM 0 HA ALA A 356 101.455 -8.845 5.121 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.546 -8.486 3.557 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.867 -7.363 3.159 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.609 -8.820 2.170 1.00 0.61 H new ATOM 600 N LYS A 357 101.513 -11.392 3.073 1.00 0.57 N ATOM 601 CA LYS A 357 101.151 -12.836 3.023 1.00 0.68 C ATOM 602 C LYS A 357 101.718 -13.581 4.236 1.00 0.79 C ATOM 603 O LYS A 357 101.016 -14.289 4.920 1.00 0.93 O ATOM 604 CB LYS A 357 101.775 -13.375 1.743 1.00 0.88 C ATOM 605 CG LYS A 357 101.442 -14.859 1.631 1.00 0.97 C ATOM 606 CD LYS A 357 100.059 -15.027 0.996 1.00 1.16 C ATOM 607 CE LYS A 357 99.786 -16.514 0.755 1.00 0.90 C ATOM 608 NZ LYS A 357 99.774 -16.667 -0.726 1.00 1.15 N ATOM 0 H LYS A 357 102.044 -11.043 2.275 1.00 0.57 H new ATOM 0 HA LYS A 357 100.070 -12.973 3.039 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.392 -12.834 0.878 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.855 -13.229 1.757 1.00 0.88 H new ATOM 0 HG2 LYS A 357 102.195 -15.367 1.028 1.00 0.97 H new ATOM 0 HG3 LYS A 357 101.459 -15.322 2.618 1.00 0.97 H new ATOM 0 HD2 LYS A 357 99.294 -14.607 1.649 1.00 1.16 H new ATOM 0 HD3 LYS A 357 100.010 -14.480 0.054 1.00 1.16 H new ATOM 0 HE2 LYS A 357 100.557 -17.136 1.210 1.00 0.90 H new ATOM 0 HE3 LYS A 357 98.834 -16.816 1.191 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 99.592 -17.661 -0.971 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 99.026 -16.069 -1.131 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 100.695 -16.378 -1.112 1.00 1.15 H new ATOM 622 N GLN A 358 102.984 -13.450 4.503 1.00 0.80 N ATOM 623 CA GLN A 358 103.557 -14.181 5.667 1.00 1.01 C ATOM 624 C GLN A 358 102.958 -13.636 6.967 1.00 1.05 C ATOM 625 O GLN A 358 102.702 -14.371 7.899 1.00 1.25 O ATOM 626 CB GLN A 358 105.066 -13.926 5.607 1.00 1.03 C ATOM 627 CG GLN A 358 105.341 -12.425 5.674 1.00 0.99 C ATOM 628 CD GLN A 358 106.851 -12.182 5.689 1.00 1.21 C ATOM 629 OE1 GLN A 358 107.473 -12.208 6.733 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.472 -11.945 4.566 1.00 1.90 N ATOM 0 H GLN A 358 103.641 -12.877 3.975 1.00 0.80 H new ATOM 0 HA GLN A 358 103.336 -15.248 5.638 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.563 -14.433 6.434 1.00 1.03 H new ATOM 0 HB3 GLN A 358 105.477 -14.340 4.686 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.890 -11.924 4.818 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.885 -12.001 6.568 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.951 -11.923 3.690 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.479 -11.782 4.565 1.00 1.90 H new ATOM 639 N ARG A 359 102.767 -12.346 7.046 1.00 0.93 N ATOM 640 CA ARG A 359 102.225 -11.746 8.300 1.00 1.10 C ATOM 641 C ARG A 359 100.761 -12.147 8.526 1.00 1.09 C ATOM 642 O ARG A 359 100.370 -12.474 9.629 1.00 1.55 O ATOM 643 CB ARG A 359 102.330 -10.233 8.095 1.00 1.08 C ATOM 644 CG ARG A 359 103.799 -9.829 7.960 1.00 1.26 C ATOM 645 CD ARG A 359 104.539 -10.148 9.261 1.00 1.27 C ATOM 646 NE ARG A 359 105.912 -9.604 9.065 1.00 1.47 N ATOM 647 CZ ARG A 359 106.712 -9.453 10.088 1.00 1.98 C ATOM 648 NH1 ARG A 359 106.315 -9.778 11.288 1.00 2.63 N ATOM 649 NH2 ARG A 359 107.913 -8.974 9.908 1.00 2.38 N ATOM 0 H ARG A 359 102.963 -11.682 6.297 1.00 0.93 H new ATOM 0 HA ARG A 359 102.777 -12.090 9.175 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.779 -9.939 7.202 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.875 -9.710 8.937 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.259 -10.362 7.128 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.875 -8.765 7.738 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.049 -9.685 10.118 1.00 1.27 H new ATOM 0 HD3 ARG A 359 104.563 -11.221 9.449 1.00 1.27 H new ATOM 0 HE ARG A 359 106.229 -9.349 8.130 1.00 1.47 H new ATOM 0 HH11 ARG A 359 105.377 -10.152 11.431 1.00 2.63 H new ATOM 0 HH12 ARG A 359 106.943 -9.658 12.083 1.00 2.63 H new ATOM 0 HH21 ARG A 359 108.225 -8.719 8.971 1.00 2.38 H new ATOM 0 HH22 ARG A 359 108.539 -8.855 10.704 1.00 2.38 H new ATOM 663 N PHE A 360 99.928 -12.066 7.518 1.00 0.70 N ATOM 664 CA PHE A 360 98.484 -12.382 7.736 1.00 0.74 C ATOM 665 C PHE A 360 98.074 -13.604 6.922 1.00 0.74 C ATOM 666 O PHE A 360 97.023 -14.179 7.129 1.00 1.09 O ATOM 667 CB PHE A 360 97.727 -11.144 7.260 1.00 0.85 C ATOM 668 CG PHE A 360 98.074 -9.971 8.144 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.720 -9.989 9.501 1.00 2.03 C ATOM 670 CD2 PHE A 360 98.753 -8.868 7.611 1.00 1.78 C ATOM 671 CE1 PHE A 360 98.043 -8.901 10.324 1.00 3.03 C ATOM 672 CE2 PHE A 360 99.076 -7.780 8.433 1.00 2.74 C ATOM 673 CZ PHE A 360 98.721 -7.796 9.789 1.00 3.32 C ATOM 0 H PHE A 360 100.181 -11.799 6.567 1.00 0.70 H new ATOM 0 HA PHE A 360 98.272 -12.614 8.780 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.986 -10.922 6.225 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.653 -11.328 7.287 1.00 0.85 H new ATOM 0 HD1 PHE A 360 97.199 -10.841 9.912 1.00 2.03 H new ATOM 0 HD2 PHE A 360 99.028 -8.856 6.567 1.00 1.78 H new ATOM 0 HE1 PHE A 360 97.770 -8.914 11.369 1.00 3.03 H new ATOM 0 HE2 PHE A 360 99.599 -6.929 8.022 1.00 2.74 H new ATOM 0 HZ PHE A 360 98.970 -6.957 10.422 1.00 3.32 H new ATOM 683 N ASN A 361 98.880 -13.988 5.979 1.00 0.72 N ATOM 684 CA ASN A 361 98.520 -15.153 5.126 1.00 0.77 C ATOM 685 C ASN A 361 97.214 -14.874 4.392 1.00 0.91 C ATOM 686 O ASN A 361 96.270 -15.637 4.457 1.00 1.34 O ATOM 687 CB ASN A 361 98.360 -16.312 6.105 1.00 0.79 C ATOM 688 CG ASN A 361 98.452 -17.639 5.349 1.00 1.27 C ATOM 689 OD1 ASN A 361 99.483 -17.966 4.797 1.00 1.68 O ATOM 690 ND2 ASN A 361 97.409 -18.422 5.302 1.00 1.90 N ATOM 0 H ASN A 361 99.773 -13.547 5.760 1.00 0.72 H new ATOM 0 HA ASN A 361 99.269 -15.367 4.363 1.00 0.77 H new ATOM 0 HB2 ASN A 361 99.134 -16.264 6.871 1.00 0.79 H new ATOM 0 HB3 ASN A 361 97.400 -16.239 6.617 1.00 0.79 H new ATOM 0 HD21 ASN A 361 97.460 -19.309 4.801 1.00 1.90 H new ATOM 0 HD22 ASN A 361 96.543 -18.147 5.766 1.00 1.90 H new ATOM 697 N LEU A 362 97.135 -13.742 3.758 1.00 0.88 N ATOM 698 CA LEU A 362 95.869 -13.343 3.085 1.00 1.13 C ATOM 699 C LEU A 362 96.025 -13.463 1.565 1.00 1.12 C ATOM 700 O LEU A 362 97.072 -13.832 1.070 1.00 1.73 O ATOM 701 CB LEU A 362 95.661 -11.886 3.494 1.00 1.68 C ATOM 702 CG LEU A 362 95.889 -11.751 5.000 1.00 2.21 C ATOM 703 CD1 LEU A 362 95.810 -10.276 5.399 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.809 -12.537 5.749 1.00 2.80 C ATOM 0 H LEU A 362 97.898 -13.070 3.675 1.00 0.88 H new ATOM 0 HA LEU A 362 95.024 -13.972 3.366 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.351 -11.241 2.950 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.652 -11.563 3.236 1.00 1.68 H new ATOM 0 HG LEU A 362 96.873 -12.145 5.255 1.00 2.21 H new ATOM 0 HD11 LEU A 362 95.973 -10.180 6.473 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.575 -9.713 4.865 1.00 2.65 H new ATOM 0 HD13 LEU A 362 94.826 -9.882 5.145 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.969 -12.443 6.823 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.827 -12.141 5.492 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.861 -13.588 5.465 1.00 2.80 H new ATOM 716 N ARG A 363 94.998 -13.155 0.818 1.00 1.10 N ATOM 717 CA ARG A 363 95.106 -13.254 -0.664 1.00 1.09 C ATOM 718 C ARG A 363 95.059 -11.857 -1.288 1.00 0.86 C ATOM 719 O ARG A 363 94.498 -10.936 -0.729 1.00 1.03 O ATOM 720 CB ARG A 363 93.888 -14.072 -1.093 1.00 1.21 C ATOM 721 CG ARG A 363 92.617 -13.254 -0.857 1.00 2.11 C ATOM 722 CD ARG A 363 91.391 -14.150 -1.039 1.00 2.74 C ATOM 723 NE ARG A 363 90.223 -13.234 -0.903 1.00 3.36 N ATOM 724 CZ ARG A 363 89.007 -13.703 -0.983 1.00 3.92 C ATOM 725 NH1 ARG A 363 88.804 -14.979 -1.183 1.00 4.21 N ATOM 726 NH2 ARG A 363 87.988 -12.895 -0.863 1.00 4.40 N ATOM 0 H ARG A 363 94.094 -12.841 1.169 1.00 1.10 H new ATOM 0 HA ARG A 363 96.041 -13.715 -0.983 1.00 1.09 H new ATOM 0 HB2 ARG A 363 93.970 -14.341 -2.146 1.00 1.21 H new ATOM 0 HB3 ARG A 363 93.844 -15.003 -0.528 1.00 1.21 H new ATOM 0 HG2 ARG A 363 92.625 -12.831 0.148 1.00 2.11 H new ATOM 0 HG3 ARG A 363 92.576 -12.417 -1.555 1.00 2.11 H new ATOM 0 HD2 ARG A 363 91.399 -14.638 -2.014 1.00 2.74 H new ATOM 0 HD3 ARG A 363 91.364 -14.939 -0.288 1.00 2.74 H new ATOM 0 HE ARG A 363 90.374 -12.237 -0.747 1.00 3.36 H new ATOM 0 HH11 ARG A 363 89.597 -15.613 -1.277 1.00 4.21 H new ATOM 0 HH12 ARG A 363 87.852 -15.340 -1.245 1.00 4.21 H new ATOM 0 HH21 ARG A 363 88.143 -11.899 -0.707 1.00 4.40 H new ATOM 0 HH22 ARG A 363 87.038 -13.260 -0.925 1.00 4.40 H new ATOM 740 N GLU A 364 95.627 -11.700 -2.451 1.00 0.74 N ATOM 741 CA GLU A 364 95.594 -10.368 -3.120 1.00 0.86 C ATOM 742 C GLU A 364 94.214 -10.121 -3.724 1.00 1.02 C ATOM 743 O GLU A 364 93.376 -11.000 -3.758 1.00 0.95 O ATOM 744 CB GLU A 364 96.655 -10.443 -4.216 1.00 0.96 C ATOM 745 CG GLU A 364 98.032 -10.567 -3.572 1.00 1.26 C ATOM 746 CD GLU A 364 98.217 -9.444 -2.550 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.070 -8.294 -2.930 1.00 2.24 O ATOM 748 OE2 GLU A 364 98.496 -9.753 -1.403 1.00 2.21 O ATOM 0 H GLU A 364 96.112 -12.434 -2.967 1.00 0.74 H new ATOM 0 HA GLU A 364 95.790 -9.551 -2.425 1.00 0.86 H new ATOM 0 HB2 GLU A 364 96.465 -11.298 -4.865 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.612 -9.552 -4.842 1.00 0.96 H new ATOM 0 HG2 GLU A 364 98.132 -11.537 -3.085 1.00 1.26 H new ATOM 0 HG3 GLU A 364 98.809 -10.511 -4.335 1.00 1.26 H new ATOM 755 N ARG A 365 93.939 -8.912 -4.122 1.00 1.36 N ATOM 756 CA ARG A 365 92.571 -8.604 -4.629 1.00 1.73 C ATOM 757 C ARG A 365 92.583 -8.455 -6.149 1.00 1.59 C ATOM 758 O ARG A 365 93.333 -7.676 -6.702 1.00 1.56 O ATOM 759 CB ARG A 365 92.189 -7.285 -3.958 1.00 1.83 C ATOM 760 CG ARG A 365 91.986 -7.521 -2.461 1.00 2.15 C ATOM 761 CD ARG A 365 91.551 -6.217 -1.788 1.00 2.41 C ATOM 762 NE ARG A 365 91.466 -6.547 -0.338 1.00 3.18 N ATOM 763 CZ ARG A 365 92.554 -6.779 0.349 1.00 3.60 C ATOM 764 NH1 ARG A 365 93.725 -6.688 -0.222 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.469 -7.095 1.611 1.00 3.72 N ATOM 0 H ARG A 365 94.593 -8.130 -4.119 1.00 1.36 H new ATOM 0 HA ARG A 365 91.860 -9.398 -4.401 1.00 1.73 H new ATOM 0 HB2 ARG A 365 92.971 -6.542 -4.118 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.276 -6.888 -4.403 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.232 -8.292 -2.303 1.00 2.15 H new ATOM 0 HG3 ARG A 365 92.911 -7.883 -2.011 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.270 -5.419 -1.970 1.00 2.41 H new ATOM 0 HD3 ARG A 365 90.590 -5.875 -2.173 1.00 2.41 H new ATOM 0 HE ARG A 365 90.556 -6.592 0.121 1.00 3.18 H new ATOM 0 HH11 ARG A 365 93.793 -6.435 -1.208 1.00 4.16 H new ATOM 0 HH12 ARG A 365 94.571 -6.870 0.318 1.00 4.16 H new ATOM 0 HH21 ARG A 365 91.555 -7.161 2.060 1.00 3.72 H new ATOM 0 HH22 ARG A 365 93.316 -7.277 2.149 1.00 3.72 H new ATOM 779 N ASP A 366 91.701 -9.142 -6.822 1.00 1.70 N ATOM 780 CA ASP A 366 91.603 -8.977 -8.297 1.00 1.93 C ATOM 781 C ASP A 366 90.977 -7.620 -8.618 1.00 2.04 C ATOM 782 O ASP A 366 89.858 -7.334 -8.241 1.00 2.65 O ATOM 783 CB ASP A 366 90.699 -10.118 -8.764 1.00 2.62 C ATOM 784 CG ASP A 366 91.431 -11.451 -8.595 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.622 -11.422 -8.335 1.00 2.86 O ATOM 786 OD2 ASP A 366 90.787 -12.478 -8.730 1.00 2.50 O ATOM 0 H ASP A 366 91.046 -9.809 -6.414 1.00 1.70 H new ATOM 0 HA ASP A 366 92.574 -9.009 -8.791 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.774 -10.123 -8.187 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.422 -9.973 -9.808 1.00 2.62 H new ATOM 791 N VAL A 367 91.707 -6.771 -9.280 1.00 1.75 N ATOM 792 CA VAL A 367 91.179 -5.415 -9.590 1.00 2.31 C ATOM 793 C VAL A 367 90.058 -5.501 -10.631 1.00 2.53 C ATOM 794 O VAL A 367 89.065 -4.807 -10.542 1.00 3.04 O ATOM 795 CB VAL A 367 92.384 -4.654 -10.144 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.931 -3.319 -10.732 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.386 -4.393 -9.016 1.00 2.52 C ATOM 0 H VAL A 367 92.650 -6.957 -9.621 1.00 1.75 H new ATOM 0 HA VAL A 367 90.748 -4.923 -8.718 1.00 2.31 H new ATOM 0 HB VAL A 367 92.854 -5.252 -10.925 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.795 -2.783 -11.125 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.219 -3.499 -11.537 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.456 -2.721 -9.954 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.245 -3.851 -9.411 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.909 -3.799 -8.236 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.718 -5.343 -8.597 1.00 2.52 H new ATOM 807 N GLN A 368 90.231 -6.302 -11.647 1.00 2.20 N ATOM 808 CA GLN A 368 89.198 -6.372 -12.722 1.00 2.40 C ATOM 809 C GLN A 368 87.956 -7.132 -12.244 1.00 2.11 C ATOM 810 O GLN A 368 86.858 -6.871 -12.692 1.00 2.30 O ATOM 811 CB GLN A 368 89.861 -7.108 -13.882 1.00 2.46 C ATOM 812 CG GLN A 368 88.951 -7.028 -15.106 1.00 3.09 C ATOM 813 CD GLN A 368 89.651 -7.660 -16.311 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.814 -8.005 -16.239 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.989 -7.826 -17.423 1.00 3.69 N ATOM 0 H GLN A 368 91.040 -6.909 -11.780 1.00 2.20 H new ATOM 0 HA GLN A 368 88.860 -5.377 -13.012 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.831 -6.664 -14.104 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.041 -8.149 -13.614 1.00 2.46 H new ATOM 0 HG2 GLN A 368 88.012 -7.544 -14.907 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.704 -5.988 -15.321 1.00 3.09 H new ATOM 0 HE21 GLN A 368 88.013 -7.536 -17.483 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.448 -8.245 -18.232 1.00 3.69 H new ATOM 824 N SER A 369 88.088 -7.941 -11.228 1.00 1.80 N ATOM 825 CA SER A 369 86.871 -8.548 -10.616 1.00 1.87 C ATOM 826 C SER A 369 86.151 -7.489 -9.783 1.00 1.79 C ATOM 827 O SER A 369 84.938 -7.453 -9.719 1.00 2.27 O ATOM 828 CB SER A 369 87.377 -9.686 -9.732 1.00 2.47 C ATOM 829 OG SER A 369 87.988 -9.141 -8.572 1.00 3.05 O ATOM 0 H SER A 369 88.975 -8.206 -10.799 1.00 1.80 H new ATOM 0 HA SER A 369 86.166 -8.918 -11.360 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.550 -10.338 -9.450 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.093 -10.298 -10.281 1.00 2.47 H new ATOM 0 HG SER A 369 88.613 -8.433 -8.833 1.00 3.05 H new ATOM 835 N LEU A 370 86.882 -6.522 -9.309 1.00 1.38 N ATOM 836 CA LEU A 370 86.237 -5.342 -8.672 1.00 1.39 C ATOM 837 C LEU A 370 85.963 -4.274 -9.733 1.00 1.12 C ATOM 838 O LEU A 370 85.602 -3.157 -9.418 1.00 1.30 O ATOM 839 CB LEU A 370 87.266 -4.837 -7.661 1.00 1.54 C ATOM 840 CG LEU A 370 87.683 -5.986 -6.742 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.849 -5.536 -5.861 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.500 -6.382 -5.855 1.00 2.14 C ATOM 0 H LEU A 370 87.901 -6.497 -9.335 1.00 1.38 H new ATOM 0 HA LEU A 370 85.285 -5.584 -8.200 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.137 -4.438 -8.181 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.845 -4.021 -7.073 1.00 1.54 H new ATOM 0 HG LEU A 370 87.990 -6.841 -7.344 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.147 -6.354 -5.206 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.692 -5.250 -6.491 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.541 -4.682 -5.258 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.795 -7.201 -5.199 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.195 -5.527 -5.252 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.667 -6.701 -6.481 1.00 2.14 H new ATOM 854 N HIS A 371 86.283 -4.557 -10.971 1.00 1.29 N ATOM 855 CA HIS A 371 86.204 -3.498 -12.013 1.00 1.13 C ATOM 856 C HIS A 371 87.065 -2.319 -11.577 1.00 1.00 C ATOM 857 O HIS A 371 86.825 -1.181 -11.930 1.00 1.35 O ATOM 858 CB HIS A 371 84.735 -3.096 -12.062 1.00 1.54 C ATOM 859 CG HIS A 371 83.891 -4.306 -12.353 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.343 -5.085 -11.345 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.493 -4.885 -13.532 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.652 -6.079 -11.933 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.711 -6.004 -13.264 1.00 1.80 N ATOM 0 H HIS A 371 86.593 -5.471 -11.300 1.00 1.29 H new ATOM 0 HA HIS A 371 86.558 -3.831 -12.989 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.437 -2.652 -11.112 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.580 -2.339 -12.830 1.00 1.54 H new ATOM 0 HD2 HIS A 371 83.748 -4.526 -14.518 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.115 -6.845 -11.393 1.00 2.10 H new ATOM 0 HE2 HIS A 371 82.276 -6.632 -13.940 1.00 1.80 H new ATOM 871 N ALA A 372 88.078 -2.602 -10.817 1.00 0.75 N ATOM 872 CA ALA A 372 88.995 -1.532 -10.342 1.00 0.94 C ATOM 873 C ALA A 372 90.105 -1.291 -11.370 1.00 0.90 C ATOM 874 O ALA A 372 90.011 -1.694 -12.513 1.00 1.04 O ATOM 875 CB ALA A 372 89.578 -2.068 -9.035 1.00 1.12 C ATOM 0 H ALA A 372 88.315 -3.542 -10.499 1.00 0.75 H new ATOM 0 HA ALA A 372 88.484 -0.579 -10.201 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.268 -1.335 -8.617 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.771 -2.252 -8.325 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.111 -2.999 -9.229 1.00 1.12 H new ATOM 881 N THR A 373 91.132 -0.595 -10.976 1.00 0.85 N ATOM 882 CA THR A 373 92.239 -0.264 -11.920 1.00 0.95 C ATOM 883 C THR A 373 93.596 -0.433 -11.234 1.00 0.93 C ATOM 884 O THR A 373 93.784 -0.025 -10.110 1.00 0.95 O ATOM 885 CB THR A 373 92.021 1.203 -12.278 1.00 1.32 C ATOM 886 OG1 THR A 373 90.813 1.342 -13.011 1.00 2.11 O ATOM 887 CG2 THR A 373 93.198 1.712 -13.109 1.00 1.90 C ATOM 0 H THR A 373 91.255 -0.236 -10.029 1.00 0.85 H new ATOM 0 HA THR A 373 92.237 -0.914 -12.795 1.00 0.95 H new ATOM 0 HB THR A 373 91.952 1.791 -11.363 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.675 2.285 -13.238 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.038 2.760 -13.362 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.119 1.614 -12.534 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.278 1.125 -14.024 1.00 1.90 H new ATOM 895 N PHE A 374 94.577 -0.894 -11.951 1.00 1.01 N ATOM 896 CA PHE A 374 95.960 -0.923 -11.387 1.00 1.25 C ATOM 897 C PHE A 374 96.674 0.398 -11.708 1.00 1.63 C ATOM 898 O PHE A 374 96.605 0.888 -12.818 1.00 1.61 O ATOM 899 CB PHE A 374 96.668 -2.070 -12.117 1.00 1.33 C ATOM 900 CG PHE A 374 96.110 -3.406 -11.687 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.403 -3.916 -10.413 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.310 -4.144 -12.570 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.894 -5.163 -10.024 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.805 -5.393 -12.182 1.00 3.09 C ATOM 905 CZ PHE A 374 95.097 -5.901 -10.908 1.00 2.72 C ATOM 0 H PHE A 374 94.487 -1.252 -12.902 1.00 1.01 H new ATOM 0 HA PHE A 374 95.959 -1.057 -10.305 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.548 -1.950 -13.194 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.737 -2.034 -11.909 1.00 1.33 H new ATOM 0 HD1 PHE A 374 97.020 -3.348 -9.733 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.082 -3.750 -13.550 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.117 -5.555 -9.042 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.192 -5.963 -12.864 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.707 -6.862 -10.608 1.00 2.72 H new ATOM 915 N VAL A 375 97.453 0.913 -10.797 1.00 2.14 N ATOM 916 CA VAL A 375 98.273 2.120 -11.121 1.00 2.61 C ATOM 917 C VAL A 375 99.746 1.724 -11.254 1.00 2.22 C ATOM 918 O VAL A 375 100.358 1.301 -10.293 1.00 1.65 O ATOM 919 CB VAL A 375 98.083 3.068 -9.939 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.728 4.416 -10.261 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.588 3.265 -9.677 1.00 3.65 C ATOM 0 H VAL A 375 97.559 0.555 -9.848 1.00 2.14 H new ATOM 0 HA VAL A 375 97.972 2.583 -12.061 1.00 2.61 H new ATOM 0 HB VAL A 375 98.552 2.643 -9.052 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.593 5.094 -9.418 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.793 4.275 -10.447 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.258 4.841 -11.148 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.453 3.942 -8.833 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.116 3.691 -10.563 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.129 2.303 -9.448 1.00 3.65 H new ATOM 931 N PRO A 376 100.236 1.789 -12.463 1.00 2.87 N ATOM 932 CA PRO A 376 101.617 1.330 -12.758 1.00 2.67 C ATOM 933 C PRO A 376 102.637 2.017 -11.843 1.00 2.48 C ATOM 934 O PRO A 376 102.453 3.139 -11.415 1.00 3.24 O ATOM 935 CB PRO A 376 101.846 1.727 -14.220 1.00 3.84 C ATOM 936 CG PRO A 376 100.693 2.608 -14.597 1.00 4.63 C ATOM 937 CD PRO A 376 99.562 2.296 -13.657 1.00 4.03 C ATOM 0 HA PRO A 376 101.738 0.260 -12.591 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.793 2.253 -14.337 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.889 0.846 -14.861 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.973 3.659 -14.525 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.394 2.428 -15.630 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.968 3.183 -13.436 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.883 1.555 -14.079 1.00 4.03 H new ATOM 945 N PHE A 377 103.728 1.351 -11.573 1.00 2.13 N ATOM 946 CA PHE A 377 104.796 1.951 -10.723 1.00 3.07 C ATOM 947 C PHE A 377 105.878 2.575 -11.609 1.00 3.61 C ATOM 948 O PHE A 377 106.501 1.906 -12.409 1.00 4.10 O ATOM 949 CB PHE A 377 105.358 0.762 -9.932 1.00 3.15 C ATOM 950 CG PHE A 377 106.526 1.197 -9.071 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.792 2.559 -8.866 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.355 0.229 -8.483 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.880 2.951 -8.077 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.446 0.622 -7.695 1.00 5.70 C ATOM 955 CZ PHE A 377 108.708 1.984 -7.493 1.00 5.79 C ATOM 0 H PHE A 377 103.926 0.408 -11.908 1.00 2.13 H new ATOM 0 HA PHE A 377 104.429 2.744 -10.071 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.576 0.334 -9.304 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.678 -0.020 -10.620 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.156 3.306 -9.318 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.152 -0.820 -8.638 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.081 4.000 -7.918 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.084 -0.124 -7.244 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.549 2.288 -6.887 1.00 5.79 H new ATOM 965 N THR A 378 106.135 3.843 -11.440 1.00 3.85 N ATOM 966 CA THR A 378 107.211 4.498 -12.237 1.00 4.47 C ATOM 967 C THR A 378 108.362 4.907 -11.318 1.00 4.28 C ATOM 968 O THR A 378 108.155 5.268 -10.176 1.00 3.71 O ATOM 969 CB THR A 378 106.552 5.732 -12.855 1.00 4.59 C ATOM 970 OG1 THR A 378 106.303 6.692 -11.838 1.00 4.26 O ATOM 971 CG2 THR A 378 105.233 5.331 -13.517 1.00 5.29 C ATOM 0 H THR A 378 105.647 4.454 -10.785 1.00 3.85 H new ATOM 0 HA THR A 378 107.627 3.838 -12.998 1.00 4.47 H new ATOM 0 HB THR A 378 107.215 6.162 -13.606 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.882 7.484 -12.232 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.764 6.211 -13.957 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.427 4.595 -14.297 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.567 4.901 -12.769 1.00 5.29 H new ATOM 979 N ALA A 379 109.574 4.798 -11.790 1.00 5.01 N ATOM 980 CA ALA A 379 110.746 5.119 -10.927 1.00 5.10 C ATOM 981 C ALA A 379 110.951 6.635 -10.834 1.00 5.05 C ATOM 982 O ALA A 379 111.563 7.127 -9.907 1.00 5.37 O ATOM 983 CB ALA A 379 111.937 4.461 -11.619 1.00 6.13 C ATOM 0 H ALA A 379 109.803 4.500 -12.738 1.00 5.01 H new ATOM 0 HA ALA A 379 110.612 4.759 -9.907 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.843 4.652 -11.044 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.770 3.386 -11.687 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.050 4.875 -12.621 1.00 6.13 H new ATOM 989 N GLN A 380 110.526 7.369 -11.828 1.00 4.87 N ATOM 990 CA GLN A 380 110.795 8.837 -11.823 1.00 4.93 C ATOM 991 C GLN A 380 110.228 9.467 -10.549 1.00 4.05 C ATOM 992 O GLN A 380 110.944 10.069 -9.774 1.00 3.84 O ATOM 993 CB GLN A 380 110.073 9.377 -13.058 1.00 5.65 C ATOM 994 CG GLN A 380 110.681 8.758 -14.318 1.00 6.07 C ATOM 995 CD GLN A 380 110.037 9.386 -15.556 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.406 10.470 -15.963 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.084 8.745 -16.177 1.00 7.22 N ATOM 0 H GLN A 380 110.009 7.020 -12.635 1.00 4.87 H new ATOM 0 HA GLN A 380 111.861 9.065 -11.845 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.010 9.143 -13.002 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.159 10.463 -13.096 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.759 8.921 -14.333 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.522 7.680 -14.320 1.00 6.07 H new ATOM 0 HE21 GLN A 380 108.775 7.835 -15.835 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.649 9.154 -17.004 1.00 7.22 H new ATOM 1006 N SER A 381 108.988 9.197 -10.253 1.00 3.64 N ATOM 1007 CA SER A 381 108.428 9.628 -8.941 1.00 3.06 C ATOM 1008 C SER A 381 108.643 8.524 -7.909 1.00 2.42 C ATOM 1009 O SER A 381 108.452 8.719 -6.726 1.00 3.00 O ATOM 1010 CB SER A 381 106.937 9.840 -9.198 1.00 3.49 C ATOM 1011 OG SER A 381 106.307 8.578 -9.376 1.00 3.82 O ATOM 0 H SER A 381 108.339 8.698 -10.861 1.00 3.64 H new ATOM 0 HA SER A 381 108.903 10.531 -8.556 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.484 10.371 -8.361 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.793 10.459 -10.083 1.00 3.49 H new ATOM 0 HG SER A 381 106.473 8.255 -10.286 1.00 3.82 H new ATOM 1017 N ARG A 382 108.964 7.344 -8.363 1.00 1.65 N ATOM 1018 CA ARG A 382 109.101 6.196 -7.427 1.00 1.74 C ATOM 1019 C ARG A 382 107.774 5.968 -6.699 1.00 1.57 C ATOM 1020 O ARG A 382 107.681 6.110 -5.495 1.00 2.08 O ATOM 1021 CB ARG A 382 110.205 6.610 -6.451 1.00 2.53 C ATOM 1022 CG ARG A 382 110.554 5.429 -5.545 1.00 2.69 C ATOM 1023 CD ARG A 382 111.794 5.769 -4.713 1.00 2.89 C ATOM 1024 NE ARG A 382 112.897 5.898 -5.704 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.142 5.875 -5.309 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.430 5.739 -4.042 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.104 5.987 -6.184 1.00 4.25 N ATOM 0 H ARG A 382 109.137 7.126 -9.344 1.00 1.65 H new ATOM 0 HA ARG A 382 109.349 5.263 -7.933 1.00 1.74 H new ATOM 0 HB2 ARG A 382 111.089 6.934 -7.001 1.00 2.53 H new ATOM 0 HB3 ARG A 382 109.875 7.458 -5.850 1.00 2.53 H new ATOM 0 HG2 ARG A 382 109.714 5.201 -4.888 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.740 4.539 -6.146 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.654 6.695 -4.155 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.007 4.987 -3.984 1.00 2.89 H new ATOM 0 HE ARG A 382 112.680 6.005 -6.695 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.681 5.650 -3.355 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.404 5.722 -3.739 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.883 6.092 -7.174 1.00 4.25 H new ATOM 0 HH22 ARG A 382 116.077 5.969 -5.878 1.00 4.25 H new ATOM 1041 N MET A 383 106.732 5.655 -7.430 1.00 1.27 N ATOM 1042 CA MET A 383 105.403 5.469 -6.785 1.00 1.19 C ATOM 1043 C MET A 383 104.535 4.501 -7.593 1.00 1.07 C ATOM 1044 O MET A 383 104.525 4.519 -8.808 1.00 1.14 O ATOM 1045 CB MET A 383 104.765 6.858 -6.772 1.00 1.32 C ATOM 1046 CG MET A 383 105.585 7.792 -5.882 1.00 1.51 C ATOM 1047 SD MET A 383 104.735 9.383 -5.737 1.00 2.09 S ATOM 1048 CE MET A 383 103.395 8.826 -4.654 1.00 1.57 C ATOM 0 H MET A 383 106.748 5.522 -8.441 1.00 1.27 H new ATOM 0 HA MET A 383 105.499 5.048 -5.784 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.716 7.256 -7.786 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.741 6.795 -6.404 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.719 7.348 -4.896 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.579 7.936 -6.305 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.478 8.721 -5.234 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.658 7.864 -4.215 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.241 9.557 -3.860 1.00 1.57 H new ATOM 1058 N SER A 384 103.711 3.763 -6.910 1.00 0.97 N ATOM 1059 CA SER A 384 102.710 2.899 -7.591 1.00 1.02 C ATOM 1060 C SER A 384 101.456 2.842 -6.721 1.00 0.93 C ATOM 1061 O SER A 384 101.459 3.313 -5.606 1.00 0.83 O ATOM 1062 CB SER A 384 103.370 1.525 -7.681 1.00 1.23 C ATOM 1063 OG SER A 384 103.314 0.894 -6.409 1.00 1.18 O ATOM 0 H SER A 384 103.688 3.721 -5.891 1.00 0.97 H new ATOM 0 HA SER A 384 102.421 3.262 -8.577 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.862 0.913 -8.426 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.406 1.627 -8.004 1.00 1.23 H new ATOM 0 HG SER A 384 104.162 0.436 -6.233 1.00 1.18 H new ATOM 1069 N GLY A 385 100.375 2.319 -7.216 1.00 1.02 N ATOM 1070 CA GLY A 385 99.136 2.307 -6.389 1.00 1.00 C ATOM 1071 C GLY A 385 98.043 1.521 -7.094 1.00 0.95 C ATOM 1072 O GLY A 385 98.274 0.818 -8.054 1.00 1.13 O ATOM 0 H GLY A 385 100.292 1.904 -8.144 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.344 1.862 -5.416 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.801 3.328 -6.208 1.00 1.00 H new ATOM 1076 N ILE A 386 96.847 1.661 -6.624 1.00 0.80 N ATOM 1077 CA ILE A 386 95.703 0.958 -7.249 1.00 0.78 C ATOM 1078 C ILE A 386 94.438 1.780 -7.036 1.00 0.77 C ATOM 1079 O ILE A 386 94.279 2.438 -6.030 1.00 0.80 O ATOM 1080 CB ILE A 386 95.620 -0.372 -6.512 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.294 -1.057 -6.823 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.713 -0.139 -5.005 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.255 -2.377 -6.066 1.00 1.26 C ATOM 0 H ILE A 386 96.607 2.242 -5.820 1.00 0.80 H new ATOM 0 HA ILE A 386 95.818 0.813 -8.323 1.00 0.78 H new ATOM 0 HB ILE A 386 96.446 -1.003 -6.839 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.459 -0.423 -6.526 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.197 -1.230 -7.895 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.653 -1.095 -4.485 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.662 0.343 -4.769 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.891 0.501 -4.684 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.314 -2.887 -6.272 1.00 1.26 H new ATOM 0 HD12 ILE A 386 95.086 -3.005 -6.387 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.337 -2.185 -4.996 1.00 1.26 H new ATOM 1095 N ASN A 387 93.514 1.699 -7.936 1.00 0.78 N ATOM 1096 CA ASN A 387 92.229 2.418 -7.742 1.00 0.83 C ATOM 1097 C ASN A 387 91.095 1.404 -7.757 1.00 0.92 C ATOM 1098 O ASN A 387 91.104 0.477 -8.532 1.00 0.86 O ATOM 1099 CB ASN A 387 92.107 3.368 -8.937 1.00 0.91 C ATOM 1100 CG ASN A 387 93.452 4.043 -9.200 1.00 1.31 C ATOM 1101 OD1 ASN A 387 93.787 4.339 -10.330 1.00 2.04 O ATOM 1102 ND2 ASN A 387 94.245 4.298 -8.199 1.00 1.81 N ATOM 0 H ASN A 387 93.588 1.166 -8.802 1.00 0.78 H new ATOM 0 HA ASN A 387 92.188 2.962 -6.798 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.788 2.816 -9.821 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.344 4.121 -8.738 1.00 0.91 H new ATOM 0 HD21 ASN A 387 95.146 4.746 -8.364 1.00 1.81 H new ATOM 0 HD22 ASN A 387 93.965 4.050 -7.250 1.00 1.81 H new ATOM 1109 N ILE A 388 90.083 1.600 -6.973 1.00 1.18 N ATOM 1110 CA ILE A 388 88.930 0.666 -7.047 1.00 1.31 C ATOM 1111 C ILE A 388 87.627 1.421 -6.810 1.00 1.70 C ATOM 1112 O ILE A 388 87.630 2.580 -6.449 1.00 1.89 O ATOM 1113 CB ILE A 388 89.177 -0.362 -5.950 1.00 1.24 C ATOM 1114 CG1 ILE A 388 88.027 -1.369 -5.924 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.260 0.351 -4.607 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.547 -2.714 -5.423 1.00 2.11 C ATOM 0 H ILE A 388 90.000 2.354 -6.292 1.00 1.18 H new ATOM 0 HA ILE A 388 88.842 0.192 -8.024 1.00 1.31 H new ATOM 0 HB ILE A 388 90.111 -0.888 -6.144 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.228 -1.010 -5.275 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.602 -1.479 -6.922 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.437 -0.380 -3.818 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.079 1.070 -4.627 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.323 0.874 -4.414 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.730 -3.435 -5.403 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.331 -3.072 -6.090 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.952 -2.596 -4.418 1.00 2.11 H new ATOM 1128 N ASP A 389 86.523 0.817 -7.143 1.00 1.97 N ATOM 1129 CA ASP A 389 85.222 1.543 -7.109 1.00 2.37 C ATOM 1130 C ASP A 389 84.812 2.003 -5.693 1.00 2.14 C ATOM 1131 O ASP A 389 83.747 2.562 -5.519 1.00 2.92 O ATOM 1132 CB ASP A 389 84.225 0.512 -7.623 1.00 2.65 C ATOM 1133 CG ASP A 389 84.427 0.308 -9.126 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.178 1.072 -9.712 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.828 -0.607 -9.666 1.00 3.63 O ATOM 0 H ASP A 389 86.464 -0.157 -7.440 1.00 1.97 H new ATOM 0 HA ASP A 389 85.272 2.459 -7.698 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.359 -0.433 -7.096 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.206 0.846 -7.425 1.00 2.65 H new ATOM 1140 N ASN A 390 85.656 1.875 -4.703 1.00 1.20 N ATOM 1141 CA ASN A 390 85.298 2.425 -3.363 1.00 1.12 C ATOM 1142 C ASN A 390 86.533 2.995 -2.643 1.00 0.97 C ATOM 1143 O ASN A 390 86.465 3.342 -1.480 1.00 1.15 O ATOM 1144 CB ASN A 390 84.734 1.234 -2.588 1.00 1.13 C ATOM 1145 CG ASN A 390 84.194 1.711 -1.238 1.00 1.53 C ATOM 1146 OD1 ASN A 390 84.812 1.499 -0.215 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.058 2.353 -1.193 1.00 1.89 N ATOM 0 H ASN A 390 86.567 1.419 -4.762 1.00 1.20 H new ATOM 0 HA ASN A 390 84.586 3.247 -3.444 1.00 1.12 H new ATOM 0 HB2 ASN A 390 83.939 0.757 -3.161 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.511 0.485 -2.436 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.690 2.676 -0.298 1.00 1.89 H new ATOM 0 HD22 ASN A 390 82.539 2.531 -2.053 1.00 1.89 H new ATOM 1154 N ARG A 391 87.684 2.982 -3.269 1.00 0.83 N ATOM 1155 CA ARG A 391 88.920 3.395 -2.544 1.00 0.73 C ATOM 1156 C ARG A 391 90.008 3.841 -3.521 1.00 0.74 C ATOM 1157 O ARG A 391 90.106 3.333 -4.618 1.00 1.10 O ATOM 1158 CB ARG A 391 89.379 2.142 -1.792 1.00 0.94 C ATOM 1159 CG ARG A 391 88.359 1.779 -0.710 1.00 1.05 C ATOM 1160 CD ARG A 391 88.927 0.665 0.172 1.00 1.30 C ATOM 1161 NE ARG A 391 87.798 0.258 1.053 1.00 1.92 N ATOM 1162 CZ ARG A 391 88.008 -0.547 2.061 1.00 2.13 C ATOM 1163 NH1 ARG A 391 89.208 -1.001 2.303 1.00 2.15 N ATOM 1164 NH2 ARG A 391 87.013 -0.900 2.829 1.00 2.69 N ATOM 0 H ARG A 391 87.819 2.706 -4.242 1.00 0.83 H new ATOM 0 HA ARG A 391 88.729 4.237 -1.879 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.494 1.311 -2.488 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.355 2.316 -1.340 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.128 2.655 -0.104 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.426 1.454 -1.169 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.281 -0.173 -0.429 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.776 1.019 0.757 1.00 1.30 H new ATOM 0 HE ARG A 391 86.858 0.608 0.869 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.987 -0.728 1.704 1.00 2.15 H new ATOM 0 HH12 ARG A 391 89.366 -1.629 3.091 1.00 2.15 H new ATOM 0 HH21 ARG A 391 86.074 -0.548 2.642 1.00 2.69 H new ATOM 0 HH22 ARG A 391 87.174 -1.528 3.616 1.00 2.69 H new ATOM 1178 N MET A 392 90.966 4.582 -3.038 1.00 0.48 N ATOM 1179 CA MET A 392 92.203 4.808 -3.839 1.00 0.51 C ATOM 1180 C MET A 392 93.427 4.513 -2.965 1.00 0.48 C ATOM 1181 O MET A 392 93.450 4.838 -1.795 1.00 0.52 O ATOM 1182 CB MET A 392 92.162 6.284 -4.238 1.00 0.59 C ATOM 1183 CG MET A 392 90.947 6.539 -5.131 1.00 1.14 C ATOM 1184 SD MET A 392 91.014 8.231 -5.771 1.00 1.31 S ATOM 1185 CE MET A 392 92.374 7.979 -6.939 1.00 2.02 C ATOM 0 H MET A 392 90.947 5.040 -2.127 1.00 0.48 H new ATOM 0 HA MET A 392 92.263 4.164 -4.717 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.110 6.911 -3.348 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.077 6.554 -4.765 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.933 5.827 -5.956 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.028 6.389 -4.565 1.00 1.14 H new ATOM 0 HE1 MET A 392 92.105 8.402 -7.907 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.271 8.471 -6.564 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.565 6.912 -7.050 1.00 2.02 H new ATOM 1195 N ILE A 393 94.445 3.901 -3.510 1.00 0.45 N ATOM 1196 CA ILE A 393 95.647 3.598 -2.682 1.00 0.45 C ATOM 1197 C ILE A 393 96.912 4.058 -3.408 1.00 0.50 C ATOM 1198 O ILE A 393 97.061 3.853 -4.594 1.00 0.60 O ATOM 1199 CB ILE A 393 95.636 2.079 -2.508 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.277 1.644 -1.954 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.742 1.668 -1.534 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.112 2.171 -0.527 1.00 1.68 C ATOM 0 H ILE A 393 94.496 3.601 -4.483 1.00 0.45 H new ATOM 0 HA ILE A 393 95.633 4.111 -1.721 1.00 0.45 H new ATOM 0 HB ILE A 393 95.808 1.599 -3.471 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.476 2.024 -2.588 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.201 0.557 -1.962 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.734 0.585 -1.410 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.709 1.981 -1.928 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.572 2.145 -0.569 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.144 1.860 -0.134 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.905 1.769 0.103 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.169 3.259 -0.532 1.00 1.68 H new ATOM 1214 N ARG A 394 97.853 4.609 -2.692 1.00 0.63 N ATOM 1215 CA ARG A 394 99.142 5.000 -3.333 1.00 0.72 C ATOM 1216 C ARG A 394 100.316 4.691 -2.401 1.00 0.60 C ATOM 1217 O ARG A 394 100.224 4.838 -1.202 1.00 0.54 O ATOM 1218 CB ARG A 394 99.026 6.505 -3.575 1.00 0.78 C ATOM 1219 CG ARG A 394 97.929 6.777 -4.606 1.00 1.27 C ATOM 1220 CD ARG A 394 98.389 6.289 -5.981 1.00 1.04 C ATOM 1221 NE ARG A 394 97.333 6.753 -6.925 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.600 6.891 -8.197 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.791 6.612 -8.655 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.671 7.305 -9.014 1.00 2.09 N ATOM 0 H ARG A 394 97.786 4.805 -1.693 1.00 0.63 H new ATOM 0 HA ARG A 394 99.324 4.453 -4.258 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.796 7.017 -2.641 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.978 6.901 -3.929 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.009 6.269 -4.317 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.706 7.843 -4.643 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.363 6.704 -6.242 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.489 5.204 -6.002 1.00 1.04 H new ATOM 0 HE ARG A 394 96.398 6.964 -6.577 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.518 6.285 -8.019 1.00 2.78 H new ATOM 0 HH12 ARG A 394 98.994 6.721 -9.649 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.739 7.520 -8.660 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.877 7.414 -10.007 1.00 2.09 H new ATOM 1238 N LYS A 395 101.420 4.276 -2.952 1.00 0.63 N ATOM 1239 CA LYS A 395 102.616 3.967 -2.118 1.00 0.58 C ATOM 1240 C LYS A 395 103.884 4.356 -2.879 1.00 0.60 C ATOM 1241 O LYS A 395 103.958 4.210 -4.079 1.00 0.68 O ATOM 1242 CB LYS A 395 102.565 2.456 -1.912 1.00 0.72 C ATOM 1243 CG LYS A 395 103.464 2.061 -0.741 1.00 0.80 C ATOM 1244 CD LYS A 395 104.828 1.634 -1.277 1.00 1.11 C ATOM 1245 CE LYS A 395 104.646 0.466 -2.247 1.00 1.15 C ATOM 1246 NZ LYS A 395 105.992 -0.154 -2.341 1.00 1.57 N ATOM 0 H LYS A 395 101.548 4.136 -3.954 1.00 0.63 H new ATOM 0 HA LYS A 395 102.623 4.509 -1.172 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.540 2.141 -1.717 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.889 1.945 -2.819 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.576 2.900 -0.054 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.010 1.246 -0.177 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.311 2.470 -1.783 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.479 1.340 -0.454 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.907 -0.245 -1.878 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.299 0.810 -3.221 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 105.938 -1.015 -2.921 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.654 0.518 -2.779 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.328 -0.399 -1.388 1.00 1.57 H new ATOM 1260 N GLY A 396 104.882 4.849 -2.203 1.00 0.56 N ATOM 1261 CA GLY A 396 106.134 5.236 -2.921 1.00 0.60 C ATOM 1262 C GLY A 396 107.129 5.867 -1.950 1.00 0.55 C ATOM 1263 O GLY A 396 107.129 5.581 -0.772 1.00 0.82 O ATOM 0 H GLY A 396 104.889 5.001 -1.194 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.579 4.358 -3.389 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.900 5.939 -3.721 1.00 0.60 H new ATOM 1267 N SER A 397 108.030 6.670 -2.452 1.00 0.50 N ATOM 1268 CA SER A 397 109.081 7.245 -1.569 1.00 0.60 C ATOM 1269 C SER A 397 108.486 8.317 -0.659 1.00 0.48 C ATOM 1270 O SER A 397 107.409 8.826 -0.902 1.00 0.61 O ATOM 1271 CB SER A 397 110.124 7.851 -2.505 1.00 0.91 C ATOM 1272 OG SER A 397 109.876 9.244 -2.656 1.00 1.17 O ATOM 0 H SER A 397 108.082 6.950 -3.431 1.00 0.50 H new ATOM 0 HA SER A 397 109.520 6.487 -0.920 1.00 0.60 H new ATOM 0 HB2 SER A 397 111.125 7.691 -2.104 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.087 7.357 -3.476 1.00 0.91 H new ATOM 0 HG SER A 397 110.390 9.742 -1.987 1.00 1.17 H new ATOM 1278 N VAL A 398 109.162 8.634 0.408 1.00 0.53 N ATOM 1279 CA VAL A 398 108.614 9.639 1.359 1.00 0.47 C ATOM 1280 C VAL A 398 108.420 10.973 0.648 1.00 0.51 C ATOM 1281 O VAL A 398 107.339 11.519 0.628 1.00 0.51 O ATOM 1282 CB VAL A 398 109.668 9.763 2.453 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.235 10.838 3.450 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.804 8.423 3.171 1.00 0.51 C ATOM 0 H VAL A 398 110.068 8.242 0.663 1.00 0.53 H new ATOM 0 HA VAL A 398 107.644 9.346 1.762 1.00 0.47 H new ATOM 0 HB VAL A 398 110.627 10.040 2.015 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.986 10.930 4.235 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.131 11.792 2.934 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.279 10.559 3.894 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.557 8.505 3.955 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.847 8.149 3.614 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.106 7.657 2.457 1.00 0.51 H new ATOM 1294 N ASP A 399 109.412 11.423 -0.065 1.00 0.55 N ATOM 1295 CA ASP A 399 109.210 12.625 -0.916 1.00 0.62 C ATOM 1296 C ASP A 399 108.102 12.338 -1.926 1.00 0.64 C ATOM 1297 O ASP A 399 107.274 13.176 -2.217 1.00 0.64 O ATOM 1298 CB ASP A 399 110.548 12.841 -1.626 1.00 0.71 C ATOM 1299 CG ASP A 399 110.525 14.181 -2.362 1.00 1.10 C ATOM 1300 OD1 ASP A 399 109.554 14.903 -2.207 1.00 1.59 O ATOM 1301 OD2 ASP A 399 111.480 14.462 -3.067 1.00 1.46 O ATOM 0 H ASP A 399 110.346 11.015 -0.096 1.00 0.55 H new ATOM 0 HA ASP A 399 108.917 13.507 -0.346 1.00 0.62 H new ATOM 0 HB2 ASP A 399 111.363 12.826 -0.902 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.733 12.030 -2.331 1.00 0.71 H new ATOM 1306 N ALA A 400 108.073 11.143 -2.445 1.00 0.70 N ATOM 1307 CA ALA A 400 107.012 10.779 -3.423 1.00 0.76 C ATOM 1308 C ALA A 400 105.622 10.912 -2.790 1.00 0.72 C ATOM 1309 O ALA A 400 104.729 11.510 -3.356 1.00 0.75 O ATOM 1310 CB ALA A 400 107.300 9.318 -3.782 1.00 0.85 C ATOM 0 H ALA A 400 108.740 10.401 -2.233 1.00 0.70 H new ATOM 0 HA ALA A 400 107.018 11.430 -4.297 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.561 8.968 -4.502 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.296 9.240 -4.218 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.248 8.705 -2.882 1.00 0.85 H new ATOM 1316 N ILE A 401 105.404 10.305 -1.655 1.00 0.67 N ATOM 1317 CA ILE A 401 104.038 10.343 -1.055 1.00 0.66 C ATOM 1318 C ILE A 401 103.685 11.752 -0.571 1.00 0.59 C ATOM 1319 O ILE A 401 102.564 12.192 -0.702 1.00 0.64 O ATOM 1320 CB ILE A 401 104.088 9.360 0.114 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.450 7.963 -0.405 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.721 9.311 0.797 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.615 7.638 -1.647 1.00 0.62 C ATOM 0 H ILE A 401 106.104 9.789 -1.121 1.00 0.67 H new ATOM 0 HA ILE A 401 103.271 10.074 -1.781 1.00 0.66 H new ATOM 0 HB ILE A 401 104.842 9.687 0.830 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.512 7.919 -0.648 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.269 7.219 0.371 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.756 8.610 1.631 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.464 10.303 1.168 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.968 8.985 0.080 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.876 6.645 -2.011 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.556 7.663 -1.390 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.818 8.375 -2.425 1.00 0.62 H new ATOM 1335 N ARG A 402 104.628 12.475 -0.039 1.00 0.50 N ATOM 1336 CA ARG A 402 104.321 13.859 0.417 1.00 0.47 C ATOM 1337 C ARG A 402 103.817 14.699 -0.760 1.00 0.54 C ATOM 1338 O ARG A 402 102.863 15.440 -0.641 1.00 0.62 O ATOM 1339 CB ARG A 402 105.647 14.411 0.942 1.00 0.44 C ATOM 1340 CG ARG A 402 105.415 15.793 1.557 1.00 1.17 C ATOM 1341 CD ARG A 402 106.743 16.355 2.069 1.00 1.24 C ATOM 1342 NE ARG A 402 106.383 17.630 2.750 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.196 18.160 3.625 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.332 17.578 3.907 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.873 19.275 4.220 1.00 2.61 N ATOM 0 H ARG A 402 105.592 12.171 0.100 1.00 0.50 H new ATOM 0 HA ARG A 402 103.544 13.880 1.181 1.00 0.47 H new ATOM 0 HB2 ARG A 402 106.065 13.735 1.688 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.372 14.479 0.131 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.986 16.466 0.814 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.698 15.723 2.375 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.226 15.662 2.758 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.441 16.528 1.250 1.00 1.24 H new ATOM 0 HE ARG A 402 105.499 18.091 2.533 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.587 16.706 3.443 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.963 17.996 4.591 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.987 19.731 4.002 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.506 19.690 4.903 1.00 2.61 H new ATOM 1359 N ARG A 403 104.428 14.567 -1.906 1.00 0.54 N ATOM 1360 CA ARG A 403 103.958 15.338 -3.093 1.00 0.62 C ATOM 1361 C ARG A 403 102.578 14.853 -3.550 1.00 0.72 C ATOM 1362 O ARG A 403 101.724 15.638 -3.910 1.00 0.82 O ATOM 1363 CB ARG A 403 105.002 15.084 -4.171 1.00 0.63 C ATOM 1364 CG ARG A 403 106.324 15.712 -3.735 1.00 0.83 C ATOM 1365 CD ARG A 403 107.189 15.954 -4.965 1.00 0.96 C ATOM 1366 NE ARG A 403 108.514 16.374 -4.431 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.534 16.513 -5.237 1.00 2.01 C ATOM 1368 NH1 ARG A 403 109.398 16.282 -6.515 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.692 16.883 -4.763 1.00 2.46 N ATOM 0 H ARG A 403 105.231 13.960 -2.072 1.00 0.54 H new ATOM 0 HA ARG A 403 103.851 16.399 -2.870 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.127 14.013 -4.330 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.676 15.511 -5.120 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.140 16.651 -3.213 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.840 15.055 -3.035 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.276 15.051 -5.570 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.759 16.725 -5.604 1.00 0.96 H new ATOM 0 HE ARG A 403 108.626 16.554 -3.433 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.494 15.992 -6.887 1.00 2.48 H new ATOM 0 HH12 ARG A 403 110.196 16.392 -7.141 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.801 17.063 -3.765 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.489 16.992 -5.391 1.00 2.46 H new ATOM 1383 N HIS A 404 102.331 13.574 -3.486 1.00 0.74 N ATOM 1384 CA HIS A 404 100.983 13.062 -3.866 1.00 0.86 C ATOM 1385 C HIS A 404 99.912 13.602 -2.910 1.00 0.84 C ATOM 1386 O HIS A 404 98.842 14.003 -3.324 1.00 0.94 O ATOM 1387 CB HIS A 404 101.092 11.542 -3.756 1.00 0.92 C ATOM 1388 CG HIS A 404 99.794 10.913 -4.180 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.781 10.630 -3.278 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.328 10.506 -5.406 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.765 10.078 -3.967 1.00 1.88 C ATOM 1392 NE2 HIS A 404 98.048 9.980 -5.270 1.00 2.43 N ATOM 0 H HIS A 404 103.000 12.864 -3.189 1.00 0.74 H new ATOM 0 HA HIS A 404 100.691 13.378 -4.868 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.906 11.179 -4.383 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.328 11.257 -2.731 1.00 0.92 H new ATOM 0 HD2 HIS A 404 99.873 10.583 -6.335 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.836 9.754 -3.522 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.453 9.601 -6.006 1.00 2.43 H new ATOM 1400 N VAL A 405 100.208 13.665 -1.644 1.00 0.76 N ATOM 1401 CA VAL A 405 99.220 14.229 -0.680 1.00 0.79 C ATOM 1402 C VAL A 405 98.978 15.713 -0.970 1.00 0.85 C ATOM 1403 O VAL A 405 97.858 16.177 -0.965 1.00 0.94 O ATOM 1404 CB VAL A 405 99.857 14.044 0.697 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.961 14.674 1.763 1.00 0.80 C ATOM 1406 CG2 VAL A 405 100.020 12.550 0.986 1.00 0.76 C ATOM 0 H VAL A 405 101.088 13.352 -1.234 1.00 0.76 H new ATOM 0 HA VAL A 405 98.251 13.735 -0.748 1.00 0.79 H new ATOM 0 HB VAL A 405 100.834 14.527 0.713 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.416 14.542 2.745 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.844 15.738 1.558 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.983 14.192 1.748 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.474 12.417 1.968 1.00 0.76 H new ATOM 0 HG22 VAL A 405 99.043 12.068 0.970 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.659 12.100 0.226 1.00 0.76 H new ATOM 1416 N GLU A 406 100.014 16.472 -1.188 1.00 0.84 N ATOM 1417 CA GLU A 406 99.823 17.932 -1.430 1.00 0.95 C ATOM 1418 C GLU A 406 98.988 18.169 -2.693 1.00 1.05 C ATOM 1419 O GLU A 406 98.190 19.084 -2.754 1.00 1.19 O ATOM 1420 CB GLU A 406 101.234 18.493 -1.606 1.00 0.91 C ATOM 1421 CG GLU A 406 102.007 18.354 -0.293 1.00 0.88 C ATOM 1422 CD GLU A 406 103.400 18.969 -0.452 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.752 19.305 -1.571 1.00 1.86 O ATOM 1424 OE2 GLU A 406 104.088 19.094 0.547 1.00 2.16 O ATOM 0 H GLU A 406 100.981 16.149 -1.210 1.00 0.84 H new ATOM 0 HA GLU A 406 99.289 18.414 -0.611 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.752 17.960 -2.403 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.186 19.541 -1.903 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.468 18.852 0.513 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.091 17.303 -0.018 1.00 0.88 H new ATOM 1431 N ALA A 407 99.157 17.354 -3.700 1.00 1.02 N ATOM 1432 CA ALA A 407 98.360 17.542 -4.948 1.00 1.17 C ATOM 1433 C ALA A 407 96.880 17.297 -4.657 1.00 1.32 C ATOM 1434 O ALA A 407 96.028 18.094 -4.994 1.00 1.53 O ATOM 1435 CB ALA A 407 98.897 16.497 -5.925 1.00 1.12 C ATOM 0 H ALA A 407 99.809 16.570 -3.713 1.00 1.02 H new ATOM 0 HA ALA A 407 98.446 18.551 -5.351 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.359 16.572 -6.870 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.959 16.672 -6.097 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.757 15.501 -5.506 1.00 1.12 H new ATOM 1441 N ASN A 408 96.593 16.283 -3.891 1.00 1.23 N ATOM 1442 CA ASN A 408 95.204 16.077 -3.409 1.00 1.37 C ATOM 1443 C ASN A 408 94.829 17.211 -2.461 1.00 1.44 C ATOM 1444 O ASN A 408 93.670 17.500 -2.236 1.00 1.60 O ATOM 1445 CB ASN A 408 95.250 14.745 -2.667 1.00 1.27 C ATOM 1446 CG ASN A 408 95.379 13.602 -3.675 1.00 1.88 C ATOM 1447 OD1 ASN A 408 96.171 12.699 -3.488 1.00 2.75 O ATOM 1448 ND2 ASN A 408 94.631 13.602 -4.744 1.00 2.02 N ATOM 0 H ASN A 408 97.267 15.585 -3.577 1.00 1.23 H new ATOM 0 HA ASN A 408 94.467 16.068 -4.212 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.093 14.731 -1.976 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.346 14.618 -2.071 1.00 1.27 H new ATOM 0 HD21 ASN A 408 94.711 12.844 -5.422 1.00 2.02 H new ATOM 0 HD22 ASN A 408 93.966 14.359 -4.901 1.00 2.02 H new ATOM 1455 N GLY A 409 95.811 17.788 -1.829 1.00 1.37 N ATOM 1456 CA GLY A 409 95.541 18.826 -0.805 1.00 1.51 C ATOM 1457 C GLY A 409 95.547 18.180 0.581 1.00 1.69 C ATOM 1458 O GLY A 409 94.995 18.707 1.526 1.00 2.28 O ATOM 0 H GLY A 409 96.798 17.581 -1.982 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.296 19.610 -0.857 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.577 19.299 -0.995 1.00 1.51 H new ATOM 1462 N GLY A 410 96.198 17.057 0.712 1.00 1.39 N ATOM 1463 CA GLY A 410 96.278 16.386 2.042 1.00 1.72 C ATOM 1464 C GLY A 410 97.527 16.870 2.781 1.00 1.26 C ATOM 1465 O GLY A 410 98.202 17.781 2.346 1.00 1.69 O ATOM 0 H GLY A 410 96.679 16.573 -0.046 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.386 16.608 2.628 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.314 15.304 1.914 1.00 1.72 H new ATOM 1469 N HIS A 411 97.859 16.245 3.879 1.00 0.88 N ATOM 1470 CA HIS A 411 99.089 16.649 4.620 1.00 1.32 C ATOM 1471 C HIS A 411 99.819 15.414 5.155 1.00 1.27 C ATOM 1472 O HIS A 411 99.213 14.404 5.455 1.00 1.52 O ATOM 1473 CB HIS A 411 98.590 17.520 5.772 1.00 1.83 C ATOM 1474 CG HIS A 411 97.714 16.700 6.679 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.441 16.295 6.310 1.00 3.39 N ATOM 1476 CD2 HIS A 411 97.915 16.202 7.943 1.00 3.34 C ATOM 1477 CE1 HIS A 411 95.929 15.586 7.332 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.785 15.499 8.353 1.00 4.13 N ATOM 0 H HIS A 411 97.334 15.475 4.294 1.00 0.88 H new ATOM 0 HA HIS A 411 99.796 17.181 3.984 1.00 1.32 H new ATOM 0 HB2 HIS A 411 99.435 17.921 6.331 1.00 1.83 H new ATOM 0 HB3 HIS A 411 98.032 18.372 5.383 1.00 1.83 H new ATOM 0 HD2 HIS A 411 98.812 16.335 8.529 1.00 3.34 H new ATOM 0 HE1 HIS A 411 94.945 15.141 7.327 1.00 4.16 H new ATOM 0 HE2 HIS A 411 96.642 15.020 9.242 1.00 4.13 H new ATOM 1486 N PHE A 412 101.114 15.496 5.304 1.00 1.04 N ATOM 1487 CA PHE A 412 101.880 14.339 5.852 1.00 1.06 C ATOM 1488 C PHE A 412 102.023 14.479 7.373 1.00 1.03 C ATOM 1489 O PHE A 412 102.695 15.371 7.852 1.00 1.05 O ATOM 1490 CB PHE A 412 103.247 14.417 5.168 1.00 1.03 C ATOM 1491 CG PHE A 412 103.805 13.027 4.987 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.455 12.386 6.052 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.676 12.377 3.752 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.975 11.095 5.881 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.195 11.086 3.581 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.844 10.445 4.646 1.00 3.31 C ATOM 0 H PHE A 412 101.675 16.315 5.070 1.00 1.04 H new ATOM 0 HA PHE A 412 101.388 13.384 5.668 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.153 14.910 4.201 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.930 15.019 5.767 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.555 12.887 7.004 1.00 1.90 H new ATOM 0 HD2 PHE A 412 103.177 12.871 2.932 1.00 1.73 H new ATOM 0 HE1 PHE A 412 105.476 10.602 6.701 1.00 2.91 H new ATOM 0 HE2 PHE A 412 104.095 10.585 2.629 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.243 9.450 4.515 1.00 3.31 H new ATOM 1506 N PRO A 413 101.314 13.639 8.081 1.00 1.03 N ATOM 1507 CA PRO A 413 101.280 13.724 9.565 1.00 1.06 C ATOM 1508 C PRO A 413 102.682 13.533 10.157 1.00 0.96 C ATOM 1509 O PRO A 413 103.472 12.751 9.668 1.00 0.88 O ATOM 1510 CB PRO A 413 100.359 12.577 9.986 1.00 1.16 C ATOM 1511 CG PRO A 413 99.624 12.171 8.746 1.00 1.23 C ATOM 1512 CD PRO A 413 100.486 12.545 7.572 1.00 1.05 C ATOM 0 HA PRO A 413 100.931 14.695 9.916 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.932 11.743 10.392 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.666 12.897 10.765 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.425 11.099 8.751 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.659 12.674 8.690 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.095 11.704 7.239 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.885 12.861 6.719 1.00 1.05 H new ATOM 1520 N THR A 414 102.985 14.234 11.217 1.00 1.01 N ATOM 1521 CA THR A 414 104.325 14.087 11.856 1.00 0.97 C ATOM 1522 C THR A 414 104.554 12.640 12.290 1.00 0.92 C ATOM 1523 O THR A 414 105.623 12.096 12.118 1.00 0.84 O ATOM 1524 CB THR A 414 104.288 15.018 13.074 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.615 15.265 13.517 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.486 14.368 14.205 1.00 1.75 C ATOM 0 H THR A 414 102.361 14.903 11.668 1.00 1.01 H new ATOM 0 HA THR A 414 105.136 14.340 11.173 1.00 0.97 H new ATOM 0 HB THR A 414 103.812 15.958 12.793 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.595 15.861 14.294 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.465 15.036 15.066 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.467 14.179 13.867 1.00 1.75 H new ATOM 0 HG23 THR A 414 103.955 13.425 14.488 1.00 1.75 H new ATOM 1534 N ASP A 415 103.575 12.021 12.885 1.00 0.99 N ATOM 1535 CA ASP A 415 103.772 10.627 13.363 1.00 0.97 C ATOM 1536 C ASP A 415 104.199 9.731 12.199 1.00 0.83 C ATOM 1537 O ASP A 415 105.091 8.919 12.327 1.00 0.84 O ATOM 1538 CB ASP A 415 102.409 10.197 13.902 1.00 1.08 C ATOM 1539 CG ASP A 415 102.081 11.007 15.158 1.00 1.27 C ATOM 1540 OD1 ASP A 415 102.974 11.665 15.665 1.00 1.80 O ATOM 1541 OD2 ASP A 415 100.942 10.954 15.592 1.00 1.87 O ATOM 0 H ASP A 415 102.652 12.418 13.060 1.00 0.99 H new ATOM 0 HA ASP A 415 104.549 10.554 14.124 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.641 10.352 13.145 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.417 9.132 14.134 1.00 1.08 H new ATOM 1546 N VAL A 416 103.598 9.894 11.054 1.00 0.71 N ATOM 1547 CA VAL A 416 104.003 9.071 9.879 1.00 0.60 C ATOM 1548 C VAL A 416 105.425 9.427 9.434 1.00 0.51 C ATOM 1549 O VAL A 416 106.224 8.563 9.140 1.00 0.46 O ATOM 1550 CB VAL A 416 102.997 9.424 8.786 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.476 8.860 7.446 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.636 8.818 9.135 1.00 0.71 C ATOM 0 H VAL A 416 102.845 10.560 10.880 1.00 0.71 H new ATOM 0 HA VAL A 416 104.005 8.005 10.108 1.00 0.60 H new ATOM 0 HB VAL A 416 102.907 10.508 8.711 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.757 9.113 6.667 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.447 9.289 7.197 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.566 7.776 7.519 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.916 9.069 8.356 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.728 7.734 9.209 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.293 9.219 10.089 1.00 0.71 H new ATOM 1562 N ASP A 417 105.766 10.684 9.440 1.00 0.53 N ATOM 1563 CA ASP A 417 107.160 11.073 9.082 1.00 0.53 C ATOM 1564 C ASP A 417 108.147 10.471 10.085 1.00 0.58 C ATOM 1565 O ASP A 417 109.183 9.953 9.721 1.00 0.60 O ATOM 1566 CB ASP A 417 107.172 12.600 9.156 1.00 0.61 C ATOM 1567 CG ASP A 417 108.496 13.129 8.600 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.270 12.328 8.104 1.00 1.15 O ATOM 1569 OD2 ASP A 417 108.713 14.327 8.682 1.00 1.81 O ATOM 0 H ASP A 417 105.144 11.457 9.676 1.00 0.53 H new ATOM 0 HA ASP A 417 107.455 10.713 8.096 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.337 13.009 8.586 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.043 12.925 10.188 1.00 0.61 H new ATOM 1574 N GLN A 418 107.784 10.446 11.333 1.00 0.62 N ATOM 1575 CA GLN A 418 108.640 9.780 12.353 1.00 0.68 C ATOM 1576 C GLN A 418 108.740 8.275 12.077 1.00 0.69 C ATOM 1577 O GLN A 418 109.801 7.697 12.163 1.00 0.81 O ATOM 1578 CB GLN A 418 107.934 10.057 13.682 1.00 0.73 C ATOM 1579 CG GLN A 418 108.083 11.539 14.039 1.00 1.31 C ATOM 1580 CD GLN A 418 107.490 11.812 15.427 1.00 1.86 C ATOM 1581 OE1 GLN A 418 107.589 12.915 15.929 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.870 10.860 16.077 1.00 2.60 N ATOM 0 H GLN A 418 106.925 10.861 11.695 1.00 0.62 H new ATOM 0 HA GLN A 418 109.664 10.153 12.349 1.00 0.68 H new ATOM 0 HB2 GLN A 418 106.879 9.794 13.607 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.362 9.437 14.470 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.136 11.820 14.024 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.578 12.153 13.293 1.00 1.31 H new ATOM 0 HE21 GLN A 418 106.783 9.932 15.662 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.474 11.046 16.998 1.00 2.60 H new ATOM 1591 N LYS A 419 107.662 7.637 11.718 1.00 0.61 N ATOM 1592 CA LYS A 419 107.736 6.177 11.417 1.00 0.63 C ATOM 1593 C LYS A 419 108.659 5.914 10.220 1.00 0.62 C ATOM 1594 O LYS A 419 109.414 4.967 10.209 1.00 0.71 O ATOM 1595 CB LYS A 419 106.301 5.765 11.087 1.00 0.57 C ATOM 1596 CG LYS A 419 105.440 5.854 12.348 1.00 0.81 C ATOM 1597 CD LYS A 419 104.025 5.362 12.038 1.00 0.93 C ATOM 1598 CE LYS A 419 103.132 5.566 13.264 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.192 4.273 14.001 1.00 2.49 N ATOM 0 H LYS A 419 106.738 8.058 11.620 1.00 0.61 H new ATOM 0 HA LYS A 419 108.143 5.611 12.254 1.00 0.63 H new ATOM 0 HB2 LYS A 419 105.895 6.413 10.311 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.285 4.748 10.694 1.00 0.57 H new ATOM 0 HG2 LYS A 419 105.879 5.252 13.144 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.408 6.883 12.707 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.619 5.905 11.185 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.048 4.307 11.763 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.491 6.390 13.881 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.110 5.808 12.973 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.937 4.429 14.997 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.525 3.599 13.574 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.156 3.887 13.947 1.00 2.49 H new ATOM 1613 N VAL A 420 108.620 6.755 9.224 1.00 0.56 N ATOM 1614 CA VAL A 420 109.504 6.557 8.035 1.00 0.62 C ATOM 1615 C VAL A 420 110.971 6.732 8.431 1.00 0.71 C ATOM 1616 O VAL A 420 111.845 6.025 7.970 1.00 0.79 O ATOM 1617 CB VAL A 420 109.088 7.655 7.056 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.045 7.670 5.863 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.668 7.386 6.563 1.00 0.59 C ATOM 0 H VAL A 420 108.013 7.574 9.180 1.00 0.56 H new ATOM 0 HA VAL A 420 109.405 5.559 7.607 1.00 0.62 H new ATOM 0 HB VAL A 420 109.123 8.620 7.561 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.746 8.454 5.167 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.059 7.863 6.213 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.012 6.704 5.358 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.371 8.169 5.865 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.634 6.419 6.060 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.984 7.378 7.411 1.00 0.59 H new ATOM 1629 N ASP A 421 111.241 7.689 9.263 1.00 0.72 N ATOM 1630 CA ASP A 421 112.644 7.949 9.688 1.00 0.84 C ATOM 1631 C ASP A 421 113.167 6.795 10.545 1.00 0.91 C ATOM 1632 O ASP A 421 114.260 6.304 10.343 1.00 1.00 O ATOM 1633 CB ASP A 421 112.557 9.235 10.505 1.00 0.88 C ATOM 1634 CG ASP A 421 112.318 10.421 9.567 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.397 10.225 8.366 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.063 11.503 10.067 1.00 1.25 O ATOM 0 H ASP A 421 110.545 8.311 9.674 1.00 0.72 H new ATOM 0 HA ASP A 421 113.328 8.039 8.844 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.747 9.163 11.231 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.478 9.383 11.069 1.00 0.88 H new ATOM 1641 N GLN A 422 112.368 6.316 11.454 1.00 0.89 N ATOM 1642 CA GLN A 422 112.785 5.144 12.273 1.00 0.98 C ATOM 1643 C GLN A 422 112.930 3.911 11.379 1.00 0.98 C ATOM 1644 O GLN A 422 113.821 3.108 11.558 1.00 1.07 O ATOM 1645 CB GLN A 422 111.661 4.958 13.292 1.00 0.99 C ATOM 1646 CG GLN A 422 111.521 6.230 14.134 1.00 1.32 C ATOM 1647 CD GLN A 422 112.831 6.495 14.880 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.365 5.614 15.523 1.00 2.33 O ATOM 1649 NE2 GLN A 422 113.374 7.681 14.818 1.00 2.33 N ATOM 0 H GLN A 422 111.441 6.686 11.667 1.00 0.89 H new ATOM 0 HA GLN A 422 113.748 5.291 12.762 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.723 4.743 12.780 1.00 0.99 H new ATOM 0 HB3 GLN A 422 111.876 4.105 13.935 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.277 7.078 13.494 1.00 1.32 H new ATOM 0 HG3 GLN A 422 110.701 6.120 14.844 1.00 1.32 H new ATOM 0 HE21 GLN A 422 112.924 8.420 14.278 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.248 7.868 15.310 1.00 2.33 H new ATOM 1658 N VAL A 423 112.150 3.830 10.340 1.00 0.91 N ATOM 1659 CA VAL A 423 112.345 2.738 9.351 1.00 0.94 C ATOM 1660 C VAL A 423 113.736 2.855 8.720 1.00 0.96 C ATOM 1661 O VAL A 423 114.456 1.885 8.593 1.00 1.00 O ATOM 1662 CB VAL A 423 111.258 2.981 8.312 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.424 2.006 7.148 1.00 0.95 C ATOM 1664 CG2 VAL A 423 109.884 2.783 8.952 1.00 0.99 C ATOM 0 H VAL A 423 111.386 4.473 10.133 1.00 0.91 H new ATOM 0 HA VAL A 423 112.280 1.743 9.790 1.00 0.94 H new ATOM 0 HB VAL A 423 111.342 4.002 7.939 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.643 2.186 6.409 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.401 2.153 6.687 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.347 0.983 7.516 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.107 2.957 8.207 1.00 0.99 H new ATOM 0 HG22 VAL A 423 109.802 1.764 9.330 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.761 3.486 9.776 1.00 0.99 H new ATOM 1674 N ALA A 424 114.130 4.044 8.353 1.00 0.98 N ATOM 1675 CA ALA A 424 115.488 4.236 7.765 1.00 1.07 C ATOM 1676 C ALA A 424 116.562 4.067 8.841 1.00 1.17 C ATOM 1677 O ALA A 424 117.518 3.337 8.670 1.00 1.24 O ATOM 1678 CB ALA A 424 115.486 5.670 7.246 1.00 1.09 C ATOM 0 H ALA A 424 113.570 4.892 8.435 1.00 0.98 H new ATOM 0 HA ALA A 424 115.705 3.510 6.981 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.453 5.895 6.795 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.701 5.785 6.498 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.303 6.356 8.073 1.00 1.09 H new ATOM 1684 N ARG A 425 116.408 4.736 9.951 1.00 1.23 N ATOM 1685 CA ARG A 425 117.416 4.615 11.042 1.00 1.39 C ATOM 1686 C ARG A 425 117.611 3.144 11.408 1.00 1.38 C ATOM 1687 O ARG A 425 118.633 2.755 11.938 1.00 1.53 O ATOM 1688 CB ARG A 425 116.823 5.389 12.220 1.00 1.57 C ATOM 1689 CG ARG A 425 116.755 6.878 11.872 1.00 2.17 C ATOM 1690 CD ARG A 425 116.185 7.654 13.061 1.00 2.43 C ATOM 1691 NE ARG A 425 117.225 7.554 14.121 1.00 2.68 N ATOM 1692 CZ ARG A 425 117.209 8.376 15.138 1.00 3.44 C ATOM 1693 NH1 ARG A 425 116.282 9.292 15.230 1.00 4.11 N ATOM 1694 NH2 ARG A 425 118.123 8.280 16.064 1.00 3.73 N ATOM 0 H ARG A 425 115.627 5.362 10.149 1.00 1.23 H new ATOM 0 HA ARG A 425 118.392 5.006 10.753 1.00 1.39 H new ATOM 0 HB2 ARG A 425 115.826 5.013 12.451 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.434 5.241 13.111 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.749 7.250 11.624 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.129 7.029 10.992 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.990 8.693 12.797 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.239 7.227 13.394 1.00 2.43 H new ATOM 0 HE ARG A 425 117.952 6.842 14.054 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.567 9.368 14.507 1.00 4.11 H new ATOM 0 HH12 ARG A 425 116.273 9.931 16.025 1.00 4.11 H new ATOM 0 HH21 ARG A 425 118.847 7.565 15.993 1.00 3.73 H new ATOM 0 HH22 ARG A 425 118.113 8.920 16.858 1.00 3.73 H new ATOM 1708 N GLN A 426 116.652 2.318 11.095 1.00 1.26 N ATOM 1709 CA GLN A 426 116.803 0.861 11.390 1.00 1.33 C ATOM 1710 C GLN A 426 117.447 0.138 10.205 1.00 1.26 C ATOM 1711 O GLN A 426 117.643 -1.061 10.228 1.00 1.33 O ATOM 1712 CB GLN A 426 115.382 0.355 11.630 1.00 1.34 C ATOM 1713 CG GLN A 426 114.826 1.011 12.892 1.00 1.95 C ATOM 1714 CD GLN A 426 115.465 0.368 14.125 1.00 2.42 C ATOM 1715 OE1 GLN A 426 115.509 -0.840 14.242 1.00 2.68 O ATOM 1716 NE2 GLN A 426 115.965 1.132 15.057 1.00 2.92 N ATOM 0 H GLN A 426 115.774 2.584 10.650 1.00 1.26 H new ATOM 0 HA GLN A 426 117.448 0.680 12.250 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.749 0.590 10.774 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.382 -0.730 11.738 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.032 2.081 12.879 1.00 1.95 H new ATOM 0 HG3 GLN A 426 113.743 0.895 12.928 1.00 1.95 H new ATOM 0 HE21 GLN A 426 115.928 2.147 14.959 1.00 2.92 H new ATOM 0 HE22 GLN A 426 116.393 0.715 15.884 1.00 2.92 H new ATOM 1725 N GLY A 427 117.847 0.868 9.203 1.00 1.16 N ATOM 1726 CA GLY A 427 118.559 0.234 8.056 1.00 1.14 C ATOM 1727 C GLY A 427 117.541 -0.270 7.032 1.00 1.07 C ATOM 1728 O GLY A 427 117.879 -0.967 6.095 1.00 1.11 O ATOM 0 H GLY A 427 117.713 1.876 9.127 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.232 0.954 7.590 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.174 -0.594 8.410 1.00 1.14 H new ATOM 1732 N ALA A 428 116.303 0.104 7.184 1.00 1.07 N ATOM 1733 CA ALA A 428 115.265 -0.321 6.202 1.00 1.00 C ATOM 1734 C ALA A 428 114.907 0.846 5.284 1.00 0.94 C ATOM 1735 O ALA A 428 115.003 1.996 5.665 1.00 0.97 O ATOM 1736 CB ALA A 428 114.060 -0.725 7.051 1.00 1.04 C ATOM 0 H ALA A 428 115.963 0.688 7.948 1.00 1.07 H new ATOM 0 HA ALA A 428 115.605 -1.137 5.564 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.249 -1.052 6.400 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.341 -1.540 7.717 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.729 0.129 7.642 1.00 1.04 H new ATOM 1742 N THR A 429 114.393 0.559 4.123 1.00 0.92 N ATOM 1743 CA THR A 429 113.910 1.656 3.237 1.00 0.88 C ATOM 1744 C THR A 429 112.420 1.877 3.482 1.00 0.65 C ATOM 1745 O THR A 429 111.611 1.028 3.170 1.00 0.62 O ATOM 1746 CB THR A 429 114.145 1.162 1.806 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.524 1.284 1.487 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.314 2.003 0.828 1.00 1.00 C ATOM 0 H THR A 429 114.286 -0.384 3.748 1.00 0.92 H new ATOM 0 HA THR A 429 114.425 2.599 3.422 1.00 0.88 H new ATOM 0 HB THR A 429 113.844 0.117 1.727 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.678 0.967 0.572 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.482 1.650 -0.189 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.256 1.908 1.074 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.612 3.049 0.903 1.00 1.00 H new ATOM 1756 N PRO A 430 112.116 2.985 4.096 1.00 0.70 N ATOM 1757 CA PRO A 430 110.715 3.290 4.452 1.00 0.55 C ATOM 1758 C PRO A 430 109.929 3.712 3.208 1.00 0.54 C ATOM 1759 O PRO A 430 109.939 4.866 2.830 1.00 0.68 O ATOM 1760 CB PRO A 430 110.824 4.456 5.443 1.00 0.81 C ATOM 1761 CG PRO A 430 112.293 4.688 5.662 1.00 1.20 C ATOM 1762 CD PRO A 430 113.026 4.043 4.520 1.00 1.04 C ATOM 0 HA PRO A 430 110.192 2.432 4.874 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.344 5.350 5.045 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.324 4.217 6.382 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.511 5.755 5.704 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.611 4.260 6.613 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.222 4.752 3.716 1.00 1.04 H new ATOM 0 HD3 PRO A 430 113.990 3.643 4.835 1.00 1.04 H new ATOM 1770 N LEU A 431 109.049 2.867 2.753 1.00 0.47 N ATOM 1771 CA LEU A 431 108.046 3.328 1.757 1.00 0.56 C ATOM 1772 C LEU A 431 106.817 3.832 2.500 1.00 0.54 C ATOM 1773 O LEU A 431 106.429 3.283 3.503 1.00 0.59 O ATOM 1774 CB LEU A 431 107.676 2.100 0.926 1.00 0.59 C ATOM 1775 CG LEU A 431 108.875 1.645 0.104 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.473 0.426 -0.727 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.305 2.777 -0.832 1.00 1.40 C ATOM 0 H LEU A 431 108.981 1.886 3.025 1.00 0.47 H new ATOM 0 HA LEU A 431 108.430 4.130 1.127 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.347 1.293 1.581 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.841 2.336 0.266 1.00 0.59 H new ATOM 0 HG LEU A 431 109.702 1.386 0.765 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.325 0.092 -1.319 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.155 -0.378 -0.063 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.652 0.694 -1.392 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.163 2.455 -1.422 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.481 3.031 -1.499 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.578 3.653 -0.243 1.00 1.40 H new ATOM 1789 N VAL A 432 106.212 4.876 2.037 1.00 0.49 N ATOM 1790 CA VAL A 432 105.021 5.397 2.760 1.00 0.48 C ATOM 1791 C VAL A 432 103.752 5.093 1.965 1.00 0.48 C ATOM 1792 O VAL A 432 103.720 5.220 0.756 1.00 0.52 O ATOM 1793 CB VAL A 432 105.247 6.901 2.872 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.085 7.537 3.638 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.555 7.165 3.620 1.00 0.51 C ATOM 0 H VAL A 432 106.481 5.391 1.199 1.00 0.49 H new ATOM 0 HA VAL A 432 104.897 4.938 3.741 1.00 0.48 H new ATOM 0 HB VAL A 432 105.304 7.335 1.874 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.247 8.612 3.718 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.152 7.349 3.106 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.027 7.104 4.636 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.718 8.240 3.701 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.497 6.731 4.618 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.384 6.713 3.075 1.00 0.51 H new ATOM 1805 N VAL A 433 102.718 4.666 2.635 1.00 0.44 N ATOM 1806 CA VAL A 433 101.453 4.325 1.930 1.00 0.45 C ATOM 1807 C VAL A 433 100.343 5.269 2.385 1.00 0.37 C ATOM 1808 O VAL A 433 100.150 5.485 3.567 1.00 0.37 O ATOM 1809 CB VAL A 433 101.135 2.891 2.355 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.965 2.357 1.527 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.363 2.005 2.130 1.00 1.08 C ATOM 0 H VAL A 433 102.696 4.538 3.647 1.00 0.44 H new ATOM 0 HA VAL A 433 101.540 4.418 0.848 1.00 0.45 H new ATOM 0 HB VAL A 433 100.867 2.880 3.411 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.740 1.335 1.832 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.089 2.985 1.688 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.231 2.370 0.470 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.135 0.983 2.433 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.633 2.018 1.074 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.197 2.382 2.722 1.00 1.08 H new ATOM 1821 N VAL A 434 99.564 5.767 1.468 1.00 0.43 N ATOM 1822 CA VAL A 434 98.413 6.621 1.863 1.00 0.43 C ATOM 1823 C VAL A 434 97.137 6.148 1.179 1.00 0.48 C ATOM 1824 O VAL A 434 97.155 5.645 0.075 1.00 0.90 O ATOM 1825 CB VAL A 434 98.763 8.039 1.402 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.223 8.343 1.739 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.549 8.168 -0.109 1.00 0.49 C ATOM 0 H VAL A 434 99.674 5.620 0.465 1.00 0.43 H new ATOM 0 HA VAL A 434 98.238 6.578 2.938 1.00 0.43 H new ATOM 0 HB VAL A 434 98.115 8.749 1.916 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.470 9.352 1.410 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.371 8.266 2.816 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.870 7.628 1.231 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.801 9.180 -0.427 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.188 7.455 -0.629 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.506 7.962 -0.348 1.00 0.49 H new ATOM 1837 N GLU A 435 96.026 6.436 1.776 1.00 0.61 N ATOM 1838 CA GLU A 435 94.727 6.152 1.110 1.00 0.60 C ATOM 1839 C GLU A 435 94.198 7.440 0.495 1.00 0.62 C ATOM 1840 O GLU A 435 94.109 8.456 1.155 1.00 0.67 O ATOM 1841 CB GLU A 435 93.801 5.673 2.224 1.00 0.70 C ATOM 1842 CG GLU A 435 93.605 4.163 2.096 1.00 0.76 C ATOM 1843 CD GLU A 435 92.573 3.692 3.123 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.168 4.501 3.941 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.204 2.530 3.073 1.00 1.79 O ATOM 0 H GLU A 435 95.956 6.858 2.702 1.00 0.61 H new ATOM 0 HA GLU A 435 94.810 5.410 0.316 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.227 5.916 3.198 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.840 6.184 2.160 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.271 3.913 1.089 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.553 3.648 2.255 1.00 0.76 H new ATOM 1852 N GLY A 436 93.976 7.455 -0.783 1.00 0.61 N ATOM 1853 CA GLY A 436 93.613 8.743 -1.427 1.00 0.64 C ATOM 1854 C GLY A 436 94.716 9.764 -1.138 1.00 0.68 C ATOM 1855 O GLY A 436 95.798 9.697 -1.686 1.00 1.42 O ATOM 0 H GLY A 436 94.028 6.647 -1.403 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.495 8.608 -2.502 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.657 9.101 -1.044 1.00 0.64 H new ATOM 1859 N SER A 437 94.431 10.742 -0.320 1.00 0.84 N ATOM 1860 CA SER A 437 95.438 11.807 -0.042 1.00 0.81 C ATOM 1861 C SER A 437 95.911 11.759 1.420 1.00 0.83 C ATOM 1862 O SER A 437 96.510 12.695 1.909 1.00 1.35 O ATOM 1863 CB SER A 437 94.701 13.115 -0.316 1.00 0.80 C ATOM 1864 OG SER A 437 93.888 13.439 0.804 1.00 1.42 O ATOM 0 H SER A 437 93.542 10.849 0.169 1.00 0.84 H new ATOM 0 HA SER A 437 96.331 11.689 -0.656 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.416 13.916 -0.505 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.086 13.019 -1.211 1.00 0.80 H new ATOM 0 HG SER A 437 93.414 14.280 0.632 1.00 1.42 H new ATOM 1870 N ARG A 438 95.613 10.708 2.140 1.00 0.53 N ATOM 1871 CA ARG A 438 96.015 10.663 3.577 1.00 0.62 C ATOM 1872 C ARG A 438 96.877 9.424 3.848 1.00 0.65 C ATOM 1873 O ARG A 438 96.655 8.368 3.291 1.00 0.69 O ATOM 1874 CB ARG A 438 94.700 10.587 4.350 1.00 0.78 C ATOM 1875 CG ARG A 438 94.140 9.168 4.266 1.00 1.34 C ATOM 1876 CD ARG A 438 92.675 9.173 4.693 1.00 1.53 C ATOM 1877 NE ARG A 438 92.275 7.739 4.715 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.027 7.407 4.921 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.123 8.331 5.110 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.683 6.148 4.939 1.00 3.52 N ATOM 0 H ARG A 438 95.114 9.887 1.799 1.00 0.53 H new ATOM 0 HA ARG A 438 96.609 11.529 3.870 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.862 10.864 5.392 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.983 11.297 3.939 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.232 8.789 3.248 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.715 8.500 4.908 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.551 9.632 5.674 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.062 9.743 3.995 1.00 1.53 H new ATOM 0 HE ARG A 438 92.977 7.013 4.569 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.390 9.315 5.097 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.151 8.068 5.270 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.387 5.425 4.793 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.710 5.887 5.100 1.00 3.52 H new ATOM 1894 N VAL A 439 97.896 9.572 4.645 1.00 0.67 N ATOM 1895 CA VAL A 439 98.838 8.438 4.879 1.00 0.74 C ATOM 1896 C VAL A 439 98.258 7.439 5.881 1.00 0.93 C ATOM 1897 O VAL A 439 97.871 7.794 6.977 1.00 1.41 O ATOM 1898 CB VAL A 439 100.099 9.086 5.446 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.175 8.019 5.654 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.614 10.142 4.464 1.00 0.86 C ATOM 0 H VAL A 439 98.120 10.431 5.147 1.00 0.67 H new ATOM 0 HA VAL A 439 99.032 7.879 3.963 1.00 0.74 H new ATOM 0 HB VAL A 439 99.866 9.557 6.401 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.074 8.483 6.059 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.810 7.265 6.352 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.408 7.547 4.700 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.514 10.606 4.867 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.846 9.669 3.510 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.849 10.904 4.315 1.00 0.86 H new ATOM 1910 N LEU A 440 98.217 6.184 5.519 1.00 0.79 N ATOM 1911 CA LEU A 440 97.690 5.155 6.458 1.00 1.07 C ATOM 1912 C LEU A 440 98.826 4.557 7.294 1.00 0.74 C ATOM 1913 O LEU A 440 98.624 4.155 8.421 1.00 0.88 O ATOM 1914 CB LEU A 440 97.040 4.085 5.576 1.00 1.60 C ATOM 1915 CG LEU A 440 98.003 3.656 4.469 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.148 2.137 4.482 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.445 4.101 3.115 1.00 1.57 C ATOM 0 H LEU A 440 98.526 5.829 4.614 1.00 0.79 H new ATOM 0 HA LEU A 440 96.975 5.579 7.162 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.764 3.222 6.182 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.121 4.474 5.138 1.00 1.60 H new ATOM 0 HG LEU A 440 98.978 4.115 4.634 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.835 1.830 3.693 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.539 1.817 5.448 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.174 1.677 4.315 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.129 3.797 2.322 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.472 3.638 2.952 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.337 5.186 3.105 1.00 1.57 H new ATOM 1929 N GLY A 441 100.022 4.498 6.765 1.00 0.64 N ATOM 1930 CA GLY A 441 101.150 3.930 7.566 1.00 1.02 C ATOM 1931 C GLY A 441 102.444 3.920 6.750 1.00 0.82 C ATOM 1932 O GLY A 441 102.491 4.377 5.628 1.00 0.96 O ATOM 0 H GLY A 441 100.265 4.814 5.826 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.291 4.519 8.473 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.905 2.915 7.880 1.00 1.02 H new ATOM 1936 N VAL A 442 103.503 3.415 7.327 1.00 0.56 N ATOM 1937 CA VAL A 442 104.816 3.383 6.617 1.00 0.44 C ATOM 1938 C VAL A 442 105.318 1.938 6.519 1.00 0.41 C ATOM 1939 O VAL A 442 104.935 1.087 7.297 1.00 0.41 O ATOM 1940 CB VAL A 442 105.750 4.209 7.495 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.122 4.302 6.829 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.166 5.612 7.673 1.00 0.57 C ATOM 0 H VAL A 442 103.514 3.020 8.267 1.00 0.56 H new ATOM 0 HA VAL A 442 104.754 3.774 5.601 1.00 0.44 H new ATOM 0 HB VAL A 442 105.855 3.734 8.470 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.791 4.892 7.455 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.533 3.301 6.702 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.022 4.780 5.854 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.831 6.206 8.300 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.063 6.090 6.699 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.187 5.541 8.147 1.00 0.57 H new ATOM 1952 N ILE A 443 106.150 1.646 5.558 1.00 0.42 N ATOM 1953 CA ILE A 443 106.646 0.245 5.404 1.00 0.43 C ATOM 1954 C ILE A 443 108.173 0.209 5.411 1.00 0.44 C ATOM 1955 O ILE A 443 108.824 0.898 4.657 1.00 0.51 O ATOM 1956 CB ILE A 443 106.119 -0.230 4.051 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.636 0.127 3.917 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.287 -1.745 3.946 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.886 -0.314 5.174 1.00 1.05 C ATOM 0 H ILE A 443 106.508 2.312 4.874 1.00 0.42 H new ATOM 0 HA ILE A 443 106.306 -0.390 6.223 1.00 0.43 H new ATOM 0 HB ILE A 443 106.680 0.259 3.254 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.522 1.201 3.772 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.212 -0.360 3.039 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.912 -2.087 2.981 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.343 -2.001 4.036 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.727 -2.229 4.746 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.831 -0.059 5.076 1.00 1.05 H new ATOM 0 HD12 ILE A 443 103.989 -1.392 5.300 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.303 0.194 6.044 1.00 1.05 H new ATOM 1971 N ALA A 444 108.745 -0.614 6.236 1.00 0.40 N ATOM 1972 CA ALA A 444 110.229 -0.729 6.276 1.00 0.44 C ATOM 1973 C ALA A 444 110.681 -1.958 5.487 1.00 0.43 C ATOM 1974 O ALA A 444 110.283 -3.065 5.776 1.00 0.45 O ATOM 1975 CB ALA A 444 110.568 -0.897 7.757 1.00 0.46 C ATOM 0 H ALA A 444 108.248 -1.218 6.890 1.00 0.40 H new ATOM 0 HA ALA A 444 110.725 0.136 5.836 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.648 -0.989 7.875 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.215 -0.028 8.312 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.083 -1.794 8.142 1.00 0.46 H new ATOM 1981 N LEU A 445 111.490 -1.775 4.482 1.00 0.57 N ATOM 1982 CA LEU A 445 111.939 -2.942 3.672 1.00 0.63 C ATOM 1983 C LEU A 445 113.342 -3.376 4.095 1.00 0.75 C ATOM 1984 O LEU A 445 114.223 -2.558 4.270 1.00 0.92 O ATOM 1985 CB LEU A 445 111.955 -2.446 2.227 1.00 0.81 C ATOM 1986 CG LEU A 445 110.559 -2.575 1.613 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.507 -2.057 2.596 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.497 -1.752 0.325 1.00 1.91 C ATOM 0 H LEU A 445 111.859 -0.871 4.187 1.00 0.57 H new ATOM 0 HA LEU A 445 111.284 -3.803 3.803 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.281 -1.406 2.194 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.672 -3.023 1.644 1.00 0.81 H new ATOM 0 HG LEU A 445 110.358 -3.623 1.393 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.516 -2.152 2.152 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.550 -2.640 3.516 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.705 -1.009 2.822 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.504 -1.841 -0.116 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.701 -0.706 0.552 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.242 -2.122 -0.380 1.00 1.91 H new ATOM 2000 N LYS A 446 113.589 -4.655 4.111 1.00 0.89 N ATOM 2001 CA LYS A 446 114.972 -5.149 4.351 1.00 1.15 C ATOM 2002 C LYS A 446 115.754 -5.167 3.043 1.00 1.27 C ATOM 2003 O LYS A 446 115.240 -5.531 2.006 1.00 1.87 O ATOM 2004 CB LYS A 446 114.803 -6.568 4.882 1.00 1.92 C ATOM 2005 CG LYS A 446 116.167 -7.260 4.939 1.00 2.25 C ATOM 2006 CD LYS A 446 117.068 -6.533 5.934 1.00 2.85 C ATOM 2007 CE LYS A 446 118.338 -7.353 6.171 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.896 -8.518 6.988 1.00 4.48 N ATOM 0 H LYS A 446 112.889 -5.383 3.967 1.00 0.89 H new ATOM 0 HA LYS A 446 115.520 -4.515 5.048 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.354 -6.545 5.875 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.125 -7.130 4.239 1.00 1.92 H new ATOM 0 HG2 LYS A 446 116.046 -8.302 5.236 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.627 -7.262 3.951 1.00 2.25 H new ATOM 0 HD2 LYS A 446 117.327 -5.546 5.552 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.540 -6.382 6.875 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.781 -7.676 5.229 1.00 3.64 H new ATOM 0 HE3 LYS A 446 119.094 -6.768 6.694 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.529 -8.628 7.806 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.924 -8.359 7.321 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 117.927 -9.381 6.408 1.00 4.48 H new ATOM 2022 N ASP A 447 117.003 -4.816 3.095 1.00 1.33 N ATOM 2023 CA ASP A 447 117.835 -4.857 1.863 1.00 2.04 C ATOM 2024 C ASP A 447 118.615 -6.172 1.797 1.00 1.83 C ATOM 2025 O ASP A 447 119.484 -6.436 2.604 1.00 2.21 O ATOM 2026 CB ASP A 447 118.782 -3.665 1.977 1.00 2.93 C ATOM 2027 CG ASP A 447 119.525 -3.720 3.315 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.273 -4.641 4.074 1.00 3.91 O ATOM 2029 OD2 ASP A 447 120.334 -2.840 3.557 1.00 2.75 O ATOM 0 H ASP A 447 117.486 -4.502 3.937 1.00 1.33 H new ATOM 0 HA ASP A 447 117.233 -4.803 0.956 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.496 -3.676 1.153 1.00 2.93 H new ATOM 0 HB3 ASP A 447 118.221 -2.734 1.900 1.00 2.93 H new ATOM 2034 N ILE A 448 118.317 -6.992 0.832 1.00 2.00 N ATOM 2035 CA ILE A 448 119.043 -8.287 0.697 1.00 2.26 C ATOM 2036 C ILE A 448 120.544 -8.026 0.597 1.00 2.39 C ATOM 2037 O ILE A 448 121.348 -8.684 1.226 1.00 2.75 O ATOM 2038 CB ILE A 448 118.510 -8.896 -0.604 1.00 2.53 C ATOM 2039 CG1 ILE A 448 117.114 -9.508 -0.389 1.00 3.34 C ATOM 2040 CG2 ILE A 448 119.463 -9.993 -1.083 1.00 2.71 C ATOM 2041 CD1 ILE A 448 116.284 -8.675 0.598 1.00 3.61 C ATOM 0 H ILE A 448 117.600 -6.823 0.127 1.00 2.00 H new ATOM 0 HA ILE A 448 118.890 -8.950 1.548 1.00 2.26 H new ATOM 0 HB ILE A 448 118.440 -8.104 -1.350 1.00 2.53 H new ATOM 0 HG12 ILE A 448 116.592 -9.571 -1.344 1.00 3.34 H new ATOM 0 HG13 ILE A 448 117.215 -10.526 -0.013 1.00 3.34 H new ATOM 0 HG21 ILE A 448 119.084 -10.426 -2.009 1.00 2.71 H new ATOM 0 HG22 ILE A 448 120.450 -9.566 -1.260 1.00 2.71 H new ATOM 0 HG23 ILE A 448 119.535 -10.770 -0.322 1.00 2.71 H new ATOM 0 HD11 ILE A 448 115.304 -9.134 0.728 1.00 3.61 H new ATOM 0 HD12 ILE A 448 116.796 -8.634 1.560 1.00 3.61 H new ATOM 0 HD13 ILE A 448 116.162 -7.664 0.209 1.00 3.61 H new ATOM 2053 N VAL A 449 120.920 -7.051 -0.179 1.00 2.65 N ATOM 2054 CA VAL A 449 122.366 -6.715 -0.313 1.00 3.38 C ATOM 2055 C VAL A 449 122.718 -5.530 0.590 1.00 3.99 C ATOM 2056 O VAL A 449 122.014 -4.541 0.634 1.00 4.70 O ATOM 2057 CB VAL A 449 122.548 -6.338 -1.783 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.024 -6.041 -2.057 1.00 5.09 C ATOM 2059 CG2 VAL A 449 122.092 -7.501 -2.667 1.00 4.27 C ATOM 0 H VAL A 449 120.288 -6.469 -0.729 1.00 2.65 H new ATOM 0 HA VAL A 449 123.012 -7.542 -0.020 1.00 3.38 H new ATOM 0 HB VAL A 449 121.952 -5.453 -2.006 1.00 4.18 H new ATOM 0 HG11 VAL A 449 124.153 -5.772 -3.106 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.352 -5.214 -1.428 1.00 5.09 H new ATOM 0 HG13 VAL A 449 124.621 -6.925 -1.833 1.00 5.09 H new ATOM 0 HG21 VAL A 449 122.221 -7.233 -3.716 1.00 4.27 H new ATOM 0 HG22 VAL A 449 122.689 -8.385 -2.442 1.00 4.27 H new ATOM 0 HG23 VAL A 449 121.041 -7.714 -2.474 1.00 4.27 H new ATOM 2069 N LYS A 450 123.804 -5.620 1.307 1.00 4.08 N ATOM 2070 CA LYS A 450 124.201 -4.496 2.203 1.00 5.12 C ATOM 2071 C LYS A 450 125.137 -3.537 1.463 1.00 5.65 C ATOM 2072 O LYS A 450 126.081 -3.948 0.819 1.00 6.68 O ATOM 2073 CB LYS A 450 124.927 -5.160 3.374 1.00 5.87 C ATOM 2074 CG LYS A 450 125.183 -4.124 4.470 1.00 5.93 C ATOM 2075 CD LYS A 450 123.875 -3.823 5.205 1.00 6.39 C ATOM 2076 CE LYS A 450 124.147 -2.853 6.357 1.00 6.77 C ATOM 2077 NZ LYS A 450 123.649 -1.535 5.873 1.00 7.50 N ATOM 0 H LYS A 450 124.434 -6.422 1.312 1.00 4.08 H new ATOM 0 HA LYS A 450 123.345 -3.910 2.536 1.00 5.12 H new ATOM 0 HB2 LYS A 450 124.328 -5.981 3.768 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.871 -5.587 3.035 1.00 5.87 H new ATOM 0 HG2 LYS A 450 125.929 -4.498 5.171 1.00 5.93 H new ATOM 0 HG3 LYS A 450 125.586 -3.210 4.034 1.00 5.93 H new ATOM 0 HD2 LYS A 450 123.149 -3.391 4.516 1.00 6.39 H new ATOM 0 HD3 LYS A 450 123.440 -4.746 5.588 1.00 6.39 H new ATOM 0 HE2 LYS A 450 123.629 -3.162 7.265 1.00 6.77 H new ATOM 0 HE3 LYS A 450 125.210 -2.811 6.595 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 123.800 -0.815 6.608 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 124.165 -1.264 5.012 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 122.633 -1.604 5.660 1.00 7.50 H new ATOM 2091 N GLY A 451 124.884 -2.259 1.553 1.00 5.14 N ATOM 2092 CA GLY A 451 125.760 -1.276 0.857 1.00 5.92 C ATOM 2093 C GLY A 451 127.177 -1.360 1.427 1.00 6.73 C ATOM 2094 O GLY A 451 128.027 -1.934 0.767 1.00 7.01 O ATOM 2095 OXT GLY A 451 127.388 -0.847 2.514 1.00 7.30 O ATOM 0 H GLY A 451 124.109 -1.854 2.078 1.00 5.14 H new ATOM 0 HA2 GLY A 451 125.775 -1.481 -0.214 1.00 5.92 H new ATOM 0 HA3 GLY A 451 125.365 -0.268 0.983 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 119.799 2.037 -7.333 1.00 0.00 P HETATM 2101 O1G ANP A1001 119.771 3.532 -7.144 1.00 0.00 O HETATM 2102 O2G ANP A1001 120.468 1.356 -6.166 1.00 0.00 O HETATM 2103 O3G ANP A1001 120.464 1.665 -8.633 1.00 0.00 O HETATM 2104 PB ANP A1001 117.342 2.239 -8.505 1.00 0.00 P HETATM 2105 O1B ANP A1001 117.298 3.708 -8.196 1.00 0.00 O HETATM 2106 O2B ANP A1001 117.928 1.964 -9.860 1.00 0.00 O HETATM 2107 N3B ANP A1001 118.274 1.519 -7.398 1.00 0.00 N HETATM 2108 PA ANP A1001 114.541 2.339 -8.055 1.00 0.00 P HETATM 2109 O1A ANP A1001 114.839 3.792 -8.012 1.00 0.00 O HETATM 2110 O2A ANP A1001 113.537 1.911 -9.057 1.00 0.00 O HETATM 2111 O3A ANP A1001 115.915 1.519 -8.290 1.00 0.00 O HETATM 2112 O5' ANP A1001 114.070 1.848 -6.586 1.00 0.00 O HETATM 2113 C5' ANP A1001 112.693 1.544 -6.264 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.219 2.436 -5.125 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.793 2.695 -5.324 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.369 1.545 -3.899 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.609 1.754 -3.237 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.219 1.989 -3.043 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.549 3.132 -2.267 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.155 2.316 -4.072 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.320 1.106 -4.356 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.772 -0.151 -4.346 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.783 -1.005 -4.632 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.685 -0.292 -4.829 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.326 -0.580 -5.138 1.00 0.00 C HETATM 2126 N6 ANP A1001 105.924 -1.834 -5.298 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.418 0.449 -5.261 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.759 1.765 -5.098 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.060 2.057 -4.810 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.024 1.072 -4.657 1.00 0.00 C HETATM 0 HO3' ANP A1001 113.666 1.165 -2.456 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.523 3.214 -2.204 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 117.921 0.786 -6.782 1.00 0.00 H new HETATM 0 HN62 ANP A1001 104.948 -2.032 -5.519 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.591 -2.600 -5.200 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.064 1.694 -7.141 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 112.600 0.496 -5.980 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.802 -0.440 -4.135 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.756 3.381 -5.050 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.361 0.482 -4.138 1.00 0.00 H new HETATM 0 H2' ANP A1001 110.912 1.238 -2.315 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.014 2.555 -5.195 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.538 3.124 -3.679 1.00 0.00 H new