USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=20 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 HE2:sc= -9.02! C(o=-10!,f=-11!) USER MOD Set 1.2: A 408 ASN : amide:sc= -1.36 K(o=-10,f=-9.8!) USER MOD Set 2.1: A 378 THR OG1 : rot 180:sc= 0.453 USER MOD Set 2.2: A 381 SER OG : rot -82:sc= -0.231 USER MOD Set 2.3: A 383 MET CE :methyl -154:sc= -5.73! (180deg=-7.5!) USER MOD Single : A 316 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.3) USER MOD Single : A 318 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 320 SER OG : rot -133:sc= -2.02! USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 338 GLN : amide:sc= -19.7! C(o=-20!,f=-25!) USER MOD Single : A 341 SER OG : rot 20:sc= -3.95! USER MOD Single : A 346 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 351 SER OG : rot -170:sc= -0.411 USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.93) USER MOD Single : A 361 ASN : amide:sc= -0.0834 K(o=-0.083,f=-2.3!) USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -43:sc= -1.68! USER MOD Single : A 371 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 384 SER OG : rot -135:sc= 1.01 USER MOD Single : A 387 ASN : amide:sc= -5.09! K(o=-5.1!,f=-2.8) USER MOD Single : A 390 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.2!) USER MOD Single : A 392 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -167:sc= -11.6! (180deg=-12.7!) USER MOD Single : A 397 SER OG : rot -110:sc= -0.447 USER MOD Single : A 411 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-5.5!) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.36) USER MOD Single : A 419 LYS NZ :NH3+ 152:sc=-0.00693 (180deg=-1.02) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 426 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.6!) USER MOD Single : A 429 THR OG1 : rot -90:sc= -2.14! USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1001 ANP O2' : rot -14:sc= -5.73! USER MOD Single : A1001 ANP O3' : rot -90:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 116.348 -10.216 -3.418 1.00 4.45 N ATOM 2 CA ASN A 316 116.811 -8.799 -3.350 1.00 3.89 C ATOM 3 C ASN A 316 115.948 -8.003 -2.371 1.00 2.72 C ATOM 4 O ASN A 316 115.271 -8.559 -1.530 1.00 2.74 O ATOM 5 CB ASN A 316 116.646 -8.256 -4.769 1.00 4.56 C ATOM 6 CG ASN A 316 115.161 -8.053 -5.070 1.00 5.35 C ATOM 7 OD1 ASN A 316 114.638 -6.969 -4.902 1.00 5.50 O ATOM 8 ND2 ASN A 316 114.453 -9.057 -5.510 1.00 6.08 N ATOM 0 HA ASN A 316 117.841 -8.722 -3.000 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.181 -7.312 -4.873 1.00 4.56 H new ATOM 0 HB3 ASN A 316 117.082 -8.950 -5.488 1.00 4.56 H new ATOM 0 HD21 ASN A 316 113.461 -8.932 -5.713 1.00 6.08 H new ATOM 0 HD22 ASN A 316 114.891 -9.967 -5.651 1.00 6.08 H new ATOM 15 N ARG A 317 116.021 -6.704 -2.436 1.00 2.20 N ATOM 16 CA ARG A 317 115.266 -5.863 -1.463 1.00 1.30 C ATOM 17 C ARG A 317 113.858 -6.422 -1.254 1.00 1.48 C ATOM 18 O ARG A 317 113.218 -6.890 -2.175 1.00 1.26 O ATOM 19 CB ARG A 317 115.202 -4.476 -2.106 1.00 1.52 C ATOM 20 CG ARG A 317 116.615 -3.898 -2.217 1.00 2.49 C ATOM 21 CD ARG A 317 116.544 -2.486 -2.803 1.00 3.27 C ATOM 22 NE ARG A 317 115.900 -1.662 -1.743 1.00 4.34 N ATOM 23 CZ ARG A 317 116.009 -0.360 -1.764 1.00 5.21 C ATOM 24 NH1 ARG A 317 116.685 0.228 -2.713 1.00 5.83 N ATOM 25 NH2 ARG A 317 115.441 0.355 -0.832 1.00 5.72 N ATOM 0 H ARG A 317 116.571 -6.186 -3.121 1.00 2.20 H new ATOM 0 HA ARG A 317 115.744 -5.839 -0.483 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.746 -4.542 -3.094 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.573 -3.815 -1.509 1.00 1.52 H new ATOM 0 HG2 ARG A 317 117.087 -3.872 -1.235 1.00 2.49 H new ATOM 0 HG3 ARG A 317 117.232 -4.536 -2.851 1.00 2.49 H new ATOM 0 HD2 ARG A 317 117.537 -2.109 -3.047 1.00 3.27 H new ATOM 0 HD3 ARG A 317 115.962 -2.470 -3.724 1.00 3.27 H new ATOM 0 HE ARG A 317 115.372 -2.116 -0.998 1.00 4.34 H new ATOM 0 HH11 ARG A 317 117.131 -0.329 -3.442 1.00 5.83 H new ATOM 0 HH12 ARG A 317 116.768 1.245 -2.726 1.00 5.83 H new ATOM 0 HH21 ARG A 317 114.913 -0.103 -0.089 1.00 5.72 H new ATOM 0 HH22 ARG A 317 115.525 1.371 -0.847 1.00 5.72 H new ATOM 39 N GLN A 318 113.393 -6.412 -0.037 1.00 2.19 N ATOM 40 CA GLN A 318 112.045 -6.979 0.258 1.00 2.64 C ATOM 41 C GLN A 318 111.453 -6.318 1.503 1.00 2.16 C ATOM 42 O GLN A 318 112.154 -6.019 2.447 1.00 2.69 O ATOM 43 CB GLN A 318 112.293 -8.467 0.511 1.00 3.37 C ATOM 44 CG GLN A 318 111.066 -9.081 1.189 1.00 4.16 C ATOM 45 CD GLN A 318 111.353 -10.542 1.539 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.270 -10.833 2.281 1.00 4.85 O ATOM 47 NE2 GLN A 318 110.603 -11.481 1.032 1.00 5.58 N ATOM 0 H GLN A 318 113.889 -6.034 0.770 1.00 2.19 H new ATOM 0 HA GLN A 318 111.339 -6.812 -0.556 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.495 -8.978 -0.430 1.00 3.37 H new ATOM 0 HB3 GLN A 318 113.173 -8.598 1.140 1.00 3.37 H new ATOM 0 HG2 GLN A 318 110.818 -8.522 2.091 1.00 4.16 H new ATOM 0 HG3 GLN A 318 110.202 -9.018 0.527 1.00 4.16 H new ATOM 0 HE21 GLN A 318 109.833 -11.238 0.409 1.00 5.58 H new ATOM 0 HE22 GLN A 318 110.787 -12.458 1.259 1.00 5.58 H new ATOM 56 N ALA A 319 110.162 -6.147 1.545 1.00 1.32 N ATOM 57 CA ALA A 319 109.537 -5.573 2.770 1.00 1.05 C ATOM 58 C ALA A 319 109.781 -6.492 3.964 1.00 0.89 C ATOM 59 O ALA A 319 109.604 -7.690 3.883 1.00 1.18 O ATOM 60 CB ALA A 319 108.044 -5.504 2.466 1.00 1.42 C ATOM 0 H ALA A 319 109.516 -6.378 0.790 1.00 1.32 H new ATOM 0 HA ALA A 319 109.952 -4.596 3.018 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.516 -5.090 3.325 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.879 -4.867 1.597 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.668 -6.506 2.258 1.00 1.42 H new ATOM 66 N SER A 320 110.105 -5.932 5.094 1.00 0.59 N ATOM 67 CA SER A 320 110.259 -6.773 6.312 1.00 0.64 C ATOM 68 C SER A 320 109.172 -6.436 7.340 1.00 0.49 C ATOM 69 O SER A 320 108.702 -7.295 8.060 1.00 0.50 O ATOM 70 CB SER A 320 111.646 -6.436 6.858 1.00 0.78 C ATOM 71 OG SER A 320 112.603 -7.314 6.281 1.00 1.60 O ATOM 0 H SER A 320 110.269 -4.934 5.227 1.00 0.59 H new ATOM 0 HA SER A 320 110.158 -7.836 6.091 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.899 -5.401 6.627 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.655 -6.532 7.944 1.00 0.78 H new ATOM 0 HG SER A 320 113.188 -7.667 6.983 1.00 1.60 H new ATOM 77 N GLU A 321 108.777 -5.196 7.424 1.00 0.45 N ATOM 78 CA GLU A 321 107.728 -4.816 8.417 1.00 0.44 C ATOM 79 C GLU A 321 106.961 -3.574 7.956 1.00 0.37 C ATOM 80 O GLU A 321 107.533 -2.638 7.448 1.00 0.35 O ATOM 81 CB GLU A 321 108.489 -4.516 9.704 1.00 0.59 C ATOM 82 CG GLU A 321 107.505 -4.062 10.783 1.00 0.73 C ATOM 83 CD GLU A 321 108.274 -3.675 12.047 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.492 -3.736 12.017 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.632 -3.324 13.023 1.00 1.82 O ATOM 0 H GLU A 321 109.132 -4.430 6.851 1.00 0.45 H new ATOM 0 HA GLU A 321 106.991 -5.609 8.545 1.00 0.44 H new ATOM 0 HB2 GLU A 321 109.026 -5.404 10.037 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.234 -3.740 9.526 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.923 -3.213 10.425 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.799 -4.862 11.005 1.00 0.73 H new ATOM 92 N PHE A 322 105.698 -3.501 8.269 1.00 0.40 N ATOM 93 CA PHE A 322 104.929 -2.247 7.999 1.00 0.37 C ATOM 94 C PHE A 322 104.425 -1.643 9.309 1.00 0.38 C ATOM 95 O PHE A 322 104.074 -2.346 10.235 1.00 0.42 O ATOM 96 CB PHE A 322 103.757 -2.653 7.097 1.00 0.41 C ATOM 97 CG PHE A 322 103.184 -3.980 7.539 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.495 -4.081 8.757 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.337 -5.109 6.725 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.961 -5.314 9.159 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.804 -6.341 7.126 1.00 1.14 C ATOM 102 CZ PHE A 322 102.115 -6.444 8.343 1.00 1.00 C ATOM 0 H PHE A 322 105.162 -4.254 8.700 1.00 0.40 H new ATOM 0 HA PHE A 322 105.549 -1.490 7.518 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.983 -1.887 7.130 1.00 0.41 H new ATOM 0 HB3 PHE A 322 104.093 -2.722 6.063 1.00 0.41 H new ATOM 0 HD1 PHE A 322 102.376 -3.210 9.384 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.866 -5.030 5.787 1.00 0.94 H new ATOM 0 HE1 PHE A 322 101.431 -5.393 10.097 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.924 -7.211 6.498 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.703 -7.393 8.652 1.00 1.00 H new ATOM 112 N ILE A 323 104.341 -0.342 9.380 1.00 0.37 N ATOM 113 CA ILE A 323 103.799 0.295 10.618 1.00 0.41 C ATOM 114 C ILE A 323 102.747 1.352 10.271 1.00 0.43 C ATOM 115 O ILE A 323 102.903 2.088 9.317 1.00 0.53 O ATOM 116 CB ILE A 323 104.983 0.957 11.308 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.218 0.055 11.218 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.615 1.173 12.774 1.00 0.48 C ATOM 119 CD1 ILE A 323 107.031 0.423 9.976 1.00 0.52 C ATOM 0 H ILE A 323 104.621 0.304 8.642 1.00 0.37 H new ATOM 0 HA ILE A 323 103.318 -0.446 11.256 1.00 0.41 H new ATOM 0 HB ILE A 323 105.212 1.907 10.826 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.830 0.169 12.113 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.915 -0.991 11.170 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.448 1.647 13.292 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.736 1.814 12.838 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.398 0.212 13.240 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.909 -0.219 9.913 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.417 0.287 9.086 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.347 1.464 10.043 1.00 0.52 H new ATOM 131 N PRO A 324 101.655 1.321 10.996 1.00 0.36 N ATOM 132 CA PRO A 324 100.500 2.206 10.686 1.00 0.40 C ATOM 133 C PRO A 324 100.859 3.680 10.862 1.00 0.64 C ATOM 134 O PRO A 324 101.714 4.036 11.650 1.00 1.44 O ATOM 135 CB PRO A 324 99.432 1.802 11.700 1.00 0.33 C ATOM 136 CG PRO A 324 99.898 0.513 12.293 1.00 0.30 C ATOM 137 CD PRO A 324 101.392 0.477 12.163 1.00 0.29 C ATOM 0 HA PRO A 324 100.173 2.095 9.652 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.314 2.566 12.469 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.461 1.682 11.218 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.601 0.442 13.339 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.447 -0.334 11.776 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.882 0.864 13.057 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.757 -0.539 12.014 1.00 0.29 H new ATOM 145 N ALA A 325 100.117 4.543 10.226 1.00 0.75 N ATOM 146 CA ALA A 325 100.301 6.002 10.454 1.00 0.98 C ATOM 147 C ALA A 325 99.675 6.398 11.790 1.00 0.81 C ATOM 148 O ALA A 325 99.355 5.561 12.610 1.00 1.11 O ATOM 149 CB ALA A 325 99.564 6.676 9.297 1.00 1.58 C ATOM 0 H ALA A 325 99.388 4.299 9.555 1.00 0.75 H new ATOM 0 HA ALA A 325 101.351 6.292 10.491 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.652 7.758 9.391 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.003 6.357 8.351 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.512 6.394 9.322 1.00 1.58 H new ATOM 155 N GLN A 326 99.527 7.668 12.028 1.00 0.91 N ATOM 156 CA GLN A 326 98.955 8.117 13.327 1.00 1.48 C ATOM 157 C GLN A 326 97.518 7.603 13.482 1.00 1.32 C ATOM 158 O GLN A 326 96.588 8.162 12.935 1.00 1.83 O ATOM 159 CB GLN A 326 98.971 9.645 13.253 1.00 2.25 C ATOM 160 CG GLN A 326 98.564 10.227 14.608 1.00 3.14 C ATOM 161 CD GLN A 326 98.445 11.748 14.495 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.670 12.251 13.706 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.184 12.507 15.257 1.00 3.92 N ATOM 0 H GLN A 326 99.777 8.416 11.381 1.00 0.91 H new ATOM 0 HA GLN A 326 99.519 7.740 14.180 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.966 9.996 12.979 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.287 9.989 12.477 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.614 9.800 14.928 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.303 9.965 15.365 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.835 12.085 15.920 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.111 13.522 15.190 1.00 3.92 H new ATOM 172 N GLY A 327 97.319 6.601 14.297 1.00 1.28 N ATOM 173 CA GLY A 327 95.932 6.124 14.569 1.00 1.48 C ATOM 174 C GLY A 327 95.570 4.968 13.629 1.00 1.24 C ATOM 175 O GLY A 327 94.423 4.584 13.524 1.00 1.52 O ATOM 0 H GLY A 327 98.056 6.093 14.785 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.850 5.797 15.606 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.226 6.944 14.436 1.00 1.48 H new ATOM 179 N VAL A 328 96.526 4.428 12.922 1.00 0.93 N ATOM 180 CA VAL A 328 96.213 3.325 11.970 1.00 1.03 C ATOM 181 C VAL A 328 96.611 1.972 12.570 1.00 1.06 C ATOM 182 O VAL A 328 97.509 1.885 13.383 1.00 1.71 O ATOM 183 CB VAL A 328 97.050 3.624 10.727 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.749 2.583 9.647 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.698 5.018 10.202 1.00 1.57 C ATOM 0 H VAL A 328 97.508 4.702 12.963 1.00 0.93 H new ATOM 0 HA VAL A 328 95.148 3.270 11.743 1.00 1.03 H new ATOM 0 HB VAL A 328 98.109 3.586 10.983 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.346 2.796 8.760 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.996 1.589 10.021 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.690 2.621 9.390 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.294 5.234 9.315 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.639 5.054 9.945 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.910 5.761 10.971 1.00 1.57 H new ATOM 195 N ASP A 329 95.994 0.908 12.130 1.00 1.16 N ATOM 196 CA ASP A 329 96.400 -0.441 12.620 1.00 1.20 C ATOM 197 C ASP A 329 97.294 -1.127 11.582 1.00 1.16 C ATOM 198 O ASP A 329 97.283 -0.782 10.417 1.00 1.39 O ATOM 199 CB ASP A 329 95.092 -1.214 12.816 1.00 1.44 C ATOM 200 CG ASP A 329 94.359 -1.345 11.481 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.982 -1.115 10.461 1.00 2.02 O ATOM 202 OD2 ASP A 329 93.184 -1.674 11.503 1.00 1.69 O ATOM 0 H ASP A 329 95.229 0.914 11.455 1.00 1.16 H new ATOM 0 HA ASP A 329 96.972 -0.390 13.546 1.00 1.20 H new ATOM 0 HB2 ASP A 329 95.302 -2.203 13.224 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.460 -0.698 13.539 1.00 1.44 H new ATOM 207 N GLU A 330 98.142 -2.024 12.010 1.00 1.13 N ATOM 208 CA GLU A 330 99.112 -2.642 11.058 1.00 1.11 C ATOM 209 C GLU A 330 98.382 -3.460 9.992 1.00 0.97 C ATOM 210 O GLU A 330 98.829 -3.569 8.871 1.00 0.91 O ATOM 211 CB GLU A 330 99.986 -3.557 11.915 1.00 1.28 C ATOM 212 CG GLU A 330 101.145 -2.749 12.494 1.00 1.68 C ATOM 213 CD GLU A 330 102.008 -3.650 13.378 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.603 -4.776 13.615 1.00 2.49 O ATOM 215 OE2 GLU A 330 103.058 -3.199 13.803 1.00 2.70 O ATOM 0 H GLU A 330 98.206 -2.355 12.973 1.00 1.13 H new ATOM 0 HA GLU A 330 99.695 -1.886 10.532 1.00 1.11 H new ATOM 0 HB2 GLU A 330 99.395 -3.995 12.719 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.367 -4.382 11.314 1.00 1.28 H new ATOM 0 HG2 GLU A 330 101.747 -2.329 11.688 1.00 1.68 H new ATOM 0 HG3 GLU A 330 100.762 -1.911 13.076 1.00 1.68 H new ATOM 222 N LYS A 331 97.281 -4.067 10.341 1.00 0.98 N ATOM 223 CA LYS A 331 96.556 -4.912 9.348 1.00 0.92 C ATOM 224 C LYS A 331 96.078 -4.067 8.165 1.00 0.81 C ATOM 225 O LYS A 331 96.247 -4.436 7.020 1.00 0.80 O ATOM 226 CB LYS A 331 95.366 -5.492 10.112 1.00 1.02 C ATOM 227 CG LYS A 331 95.872 -6.416 11.220 1.00 1.49 C ATOM 228 CD LYS A 331 94.682 -7.088 11.907 1.00 2.27 C ATOM 229 CE LYS A 331 95.179 -7.921 13.090 1.00 2.60 C ATOM 230 NZ LYS A 331 94.295 -7.539 14.227 1.00 3.03 N ATOM 0 H LYS A 331 96.853 -4.016 11.266 1.00 0.98 H new ATOM 0 HA LYS A 331 97.195 -5.692 8.934 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.768 -4.687 10.540 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.718 -6.044 9.432 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.538 -7.171 10.803 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.451 -5.846 11.947 1.00 1.49 H new ATOM 0 HD2 LYS A 331 93.974 -6.334 12.251 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.151 -7.724 11.199 1.00 2.27 H new ATOM 0 HE2 LYS A 331 95.111 -8.988 12.878 1.00 2.60 H new ATOM 0 HE3 LYS A 331 96.224 -7.706 13.313 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 94.574 -8.070 15.077 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 94.386 -6.519 14.410 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.307 -7.761 13.989 1.00 3.03 H new ATOM 244 N THR A 332 95.494 -2.932 8.424 1.00 0.78 N ATOM 245 CA THR A 332 95.018 -2.075 7.300 1.00 0.74 C ATOM 246 C THR A 332 96.201 -1.611 6.453 1.00 0.65 C ATOM 247 O THR A 332 96.165 -1.655 5.240 1.00 0.66 O ATOM 248 CB THR A 332 94.345 -0.877 7.966 1.00 0.77 C ATOM 249 OG1 THR A 332 93.321 -1.334 8.839 1.00 0.90 O ATOM 250 CG2 THR A 332 93.739 0.029 6.894 1.00 0.82 C ATOM 0 H THR A 332 95.325 -2.561 9.359 1.00 0.78 H new ATOM 0 HA THR A 332 94.337 -2.610 6.638 1.00 0.74 H new ATOM 0 HB THR A 332 95.084 -0.316 8.538 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.890 -0.566 9.268 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.259 0.884 7.369 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.526 0.380 6.227 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.000 -0.530 6.321 1.00 0.82 H new ATOM 258 N LEU A 333 97.233 -1.128 7.081 1.00 0.59 N ATOM 259 CA LEU A 333 98.398 -0.617 6.305 1.00 0.57 C ATOM 260 C LEU A 333 98.996 -1.714 5.425 1.00 0.58 C ATOM 261 O LEU A 333 99.256 -1.514 4.255 1.00 0.54 O ATOM 262 CB LEU A 333 99.412 -0.182 7.356 1.00 0.68 C ATOM 263 CG LEU A 333 100.767 0.034 6.684 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.668 1.178 5.675 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.794 0.385 7.748 1.00 0.87 C ATOM 0 H LEU A 333 97.322 -1.064 8.095 1.00 0.59 H new ATOM 0 HA LEU A 333 98.110 0.196 5.639 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.081 0.737 7.840 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.495 -0.940 8.135 1.00 0.68 H new ATOM 0 HG LEU A 333 101.066 -0.876 6.163 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.637 1.328 5.199 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.925 0.931 4.917 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.371 2.092 6.189 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.765 0.541 7.279 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.488 1.296 8.262 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.866 -0.431 8.468 1.00 0.87 H new ATOM 277 N ALA A 334 99.229 -2.868 5.977 1.00 0.66 N ATOM 278 CA ALA A 334 99.830 -3.962 5.169 1.00 0.73 C ATOM 279 C ALA A 334 98.918 -4.294 3.988 1.00 0.68 C ATOM 280 O ALA A 334 99.366 -4.580 2.903 1.00 0.66 O ATOM 281 CB ALA A 334 99.936 -5.151 6.126 1.00 0.87 C ATOM 0 H ALA A 334 99.030 -3.102 6.950 1.00 0.66 H new ATOM 0 HA ALA A 334 100.802 -3.692 4.756 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.372 -6.002 5.602 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.569 -4.882 6.972 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.943 -5.417 6.487 1.00 0.87 H new ATOM 287 N ASP A 335 97.643 -4.305 4.197 1.00 0.67 N ATOM 288 CA ASP A 335 96.724 -4.687 3.091 1.00 0.65 C ATOM 289 C ASP A 335 96.739 -3.651 1.960 1.00 0.62 C ATOM 290 O ASP A 335 96.773 -3.994 0.796 1.00 0.69 O ATOM 291 CB ASP A 335 95.350 -4.725 3.736 1.00 0.67 C ATOM 292 CG ASP A 335 94.329 -5.282 2.743 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.224 -6.495 2.649 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.669 -4.488 2.094 1.00 1.61 O ATOM 0 H ASP A 335 97.191 -4.068 5.080 1.00 0.67 H new ATOM 0 HA ASP A 335 97.014 -5.636 2.640 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.376 -5.345 4.632 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.057 -3.723 4.050 1.00 0.67 H new ATOM 299 N ALA A 336 96.685 -2.387 2.286 1.00 0.60 N ATOM 300 CA ALA A 336 96.659 -1.345 1.215 1.00 0.62 C ATOM 301 C ALA A 336 97.972 -1.355 0.441 1.00 0.51 C ATOM 302 O ALA A 336 97.986 -1.256 -0.769 1.00 0.55 O ATOM 303 CB ALA A 336 96.469 -0.017 1.946 1.00 0.76 C ATOM 0 H ALA A 336 96.658 -2.031 3.241 1.00 0.60 H new ATOM 0 HA ALA A 336 95.864 -1.519 0.490 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.440 0.797 1.221 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.533 -0.039 2.504 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.298 0.141 2.636 1.00 0.76 H new ATOM 309 N ALA A 337 99.067 -1.565 1.109 1.00 0.46 N ATOM 310 CA ALA A 337 100.359 -1.677 0.372 1.00 0.50 C ATOM 311 C ALA A 337 100.306 -2.882 -0.568 1.00 0.62 C ATOM 312 O ALA A 337 101.002 -2.943 -1.561 1.00 0.72 O ATOM 313 CB ALA A 337 101.425 -1.882 1.448 1.00 0.50 C ATOM 0 H ALA A 337 99.128 -1.664 2.122 1.00 0.46 H new ATOM 0 HA ALA A 337 100.570 -0.796 -0.235 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.404 -1.973 0.978 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.426 -1.029 2.126 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.206 -2.791 2.009 1.00 0.50 H new ATOM 319 N GLN A 338 99.560 -3.886 -0.197 1.00 0.71 N ATOM 320 CA GLN A 338 99.539 -5.146 -0.987 1.00 0.91 C ATOM 321 C GLN A 338 98.772 -4.945 -2.295 1.00 0.94 C ATOM 322 O GLN A 338 99.249 -5.272 -3.362 1.00 1.06 O ATOM 323 CB GLN A 338 98.812 -6.151 -0.097 1.00 1.03 C ATOM 324 CG GLN A 338 99.789 -6.916 0.813 1.00 1.03 C ATOM 325 CD GLN A 338 101.028 -6.085 1.197 1.00 0.94 C ATOM 326 OE1 GLN A 338 100.986 -4.887 1.320 1.00 1.72 O ATOM 327 NE2 GLN A 338 102.147 -6.694 1.421 1.00 0.69 N ATOM 0 H GLN A 338 98.959 -3.886 0.627 1.00 0.71 H new ATOM 0 HA GLN A 338 100.541 -5.479 -1.256 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.077 -5.629 0.516 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.264 -6.859 -0.719 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.268 -7.222 1.720 1.00 1.03 H new ATOM 0 HG3 GLN A 338 100.111 -7.826 0.307 1.00 1.03 H new ATOM 0 HE21 GLN A 338 102.205 -7.708 1.323 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.972 -6.161 1.696 1.00 0.69 H new ATOM 336 N LEU A 339 97.572 -4.447 -2.224 1.00 0.86 N ATOM 337 CA LEU A 339 96.781 -4.275 -3.479 1.00 0.90 C ATOM 338 C LEU A 339 97.400 -3.174 -4.347 1.00 0.84 C ATOM 339 O LEU A 339 97.452 -3.282 -5.557 1.00 1.00 O ATOM 340 CB LEU A 339 95.347 -3.916 -3.063 1.00 0.80 C ATOM 341 CG LEU A 339 95.334 -2.932 -1.892 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.501 -1.708 -2.270 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.702 -3.622 -0.681 1.00 1.58 C ATOM 0 H LEU A 339 97.106 -4.154 -1.365 1.00 0.86 H new ATOM 0 HA LEU A 339 96.781 -5.188 -4.074 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.819 -3.481 -3.911 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.810 -4.823 -2.784 1.00 0.80 H new ATOM 0 HG LEU A 339 96.351 -2.618 -1.655 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.490 -1.004 -1.438 1.00 1.34 H new ATOM 0 HD12 LEU A 339 94.937 -1.227 -3.145 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.481 -2.018 -2.497 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.686 -2.933 0.163 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.683 -3.922 -0.924 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.287 -4.503 -0.418 1.00 1.58 H new ATOM 355 N ALA A 340 97.911 -2.137 -3.742 1.00 0.74 N ATOM 356 CA ALA A 340 98.573 -1.060 -4.535 1.00 0.93 C ATOM 357 C ALA A 340 99.871 -1.578 -5.160 1.00 1.36 C ATOM 358 O ALA A 340 100.404 -0.990 -6.080 1.00 2.24 O ATOM 359 CB ALA A 340 98.875 0.045 -3.524 1.00 0.82 C ATOM 0 H ALA A 340 97.899 -1.988 -2.733 1.00 0.74 H new ATOM 0 HA ALA A 340 97.945 -0.709 -5.354 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.364 0.877 -4.030 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.944 0.391 -3.074 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.532 -0.343 -2.746 1.00 0.82 H new ATOM 365 N SER A 341 100.354 -2.703 -4.708 1.00 1.07 N ATOM 366 CA SER A 341 101.584 -3.282 -5.325 1.00 1.44 C ATOM 367 C SER A 341 101.203 -4.320 -6.385 1.00 1.51 C ATOM 368 O SER A 341 101.987 -4.654 -7.251 1.00 2.65 O ATOM 369 CB SER A 341 102.362 -3.925 -4.173 1.00 2.84 C ATOM 370 OG SER A 341 101.508 -4.800 -3.456 1.00 3.56 O ATOM 0 H SER A 341 99.954 -3.245 -3.942 1.00 1.07 H new ATOM 0 HA SER A 341 102.186 -2.526 -5.829 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.220 -4.474 -4.561 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.751 -3.154 -3.508 1.00 2.84 H new ATOM 0 HG SER A 341 100.740 -5.039 -4.016 1.00 3.56 H new ATOM 376 N LEU A 342 99.980 -4.774 -6.374 1.00 1.19 N ATOM 377 CA LEU A 342 99.532 -5.718 -7.436 1.00 2.40 C ATOM 378 C LEU A 342 99.703 -5.074 -8.815 1.00 2.59 C ATOM 379 O LEU A 342 99.833 -5.749 -9.817 1.00 3.62 O ATOM 380 CB LEU A 342 98.048 -5.964 -7.162 1.00 3.39 C ATOM 381 CG LEU A 342 97.875 -6.650 -5.810 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.410 -7.053 -5.633 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.757 -7.899 -5.756 1.00 3.74 C ATOM 0 H LEU A 342 99.274 -4.533 -5.678 1.00 1.19 H new ATOM 0 HA LEU A 342 100.110 -6.642 -7.427 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.506 -5.018 -7.171 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.622 -6.584 -7.951 1.00 3.39 H new ATOM 0 HG LEU A 342 98.166 -5.966 -5.012 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.282 -7.544 -4.668 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.781 -6.164 -5.675 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.122 -7.739 -6.430 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.634 -8.390 -4.791 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.466 -8.585 -6.551 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.801 -7.613 -5.888 1.00 3.74 H new ATOM 395 N ALA A 343 99.646 -3.772 -8.875 1.00 2.04 N ATOM 396 CA ALA A 343 99.738 -3.077 -10.191 1.00 2.90 C ATOM 397 C ALA A 343 101.201 -2.819 -10.569 1.00 2.34 C ATOM 398 O ALA A 343 101.529 -2.661 -11.728 1.00 2.96 O ATOM 399 CB ALA A 343 98.987 -1.759 -9.998 1.00 3.81 C ATOM 0 H ALA A 343 99.539 -3.158 -8.068 1.00 2.04 H new ATOM 0 HA ALA A 343 99.313 -3.674 -10.998 1.00 2.90 H new ATOM 0 HB1 ALA A 343 99.010 -1.188 -10.926 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.952 -1.966 -9.725 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.463 -1.182 -9.205 1.00 3.81 H new ATOM 405 N ASP A 344 102.087 -2.789 -9.612 1.00 1.46 N ATOM 406 CA ASP A 344 103.522 -2.560 -9.947 1.00 1.77 C ATOM 407 C ASP A 344 104.144 -3.848 -10.497 1.00 1.92 C ATOM 408 O ASP A 344 103.904 -4.927 -9.996 1.00 1.99 O ATOM 409 CB ASP A 344 104.186 -2.142 -8.630 1.00 1.69 C ATOM 410 CG ASP A 344 104.423 -3.368 -7.746 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.165 -4.242 -8.164 1.00 1.89 O ATOM 412 OD2 ASP A 344 103.868 -3.409 -6.661 1.00 2.84 O ATOM 0 H ASP A 344 101.883 -2.912 -8.620 1.00 1.46 H new ATOM 0 HA ASP A 344 103.652 -1.797 -10.714 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.133 -1.643 -8.834 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.554 -1.424 -8.107 1.00 1.69 H new ATOM 417 N GLU A 345 104.921 -3.744 -11.541 1.00 2.10 N ATOM 418 CA GLU A 345 105.532 -4.967 -12.137 1.00 2.37 C ATOM 419 C GLU A 345 106.952 -5.163 -11.604 1.00 2.30 C ATOM 420 O GLU A 345 107.673 -6.042 -12.034 1.00 2.51 O ATOM 421 CB GLU A 345 105.550 -4.712 -13.645 1.00 2.66 C ATOM 422 CG GLU A 345 104.118 -4.517 -14.147 1.00 2.29 C ATOM 423 CD GLU A 345 104.129 -4.341 -15.666 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.208 -4.208 -16.219 1.00 2.99 O ATOM 425 OE2 GLU A 345 103.058 -4.343 -16.251 1.00 2.87 O ATOM 0 H GLU A 345 105.159 -2.868 -12.006 1.00 2.10 H new ATOM 0 HA GLU A 345 104.974 -5.870 -11.887 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.148 -3.829 -13.868 1.00 2.66 H new ATOM 0 HB3 GLU A 345 106.016 -5.551 -14.161 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.506 -5.377 -13.874 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.671 -3.644 -13.672 1.00 2.29 H new ATOM 432 N THR A 346 107.350 -4.366 -10.654 1.00 2.06 N ATOM 433 CA THR A 346 108.713 -4.524 -10.071 1.00 2.06 C ATOM 434 C THR A 346 108.752 -5.748 -9.152 1.00 1.91 C ATOM 435 O THR A 346 107.822 -5.997 -8.412 1.00 1.73 O ATOM 436 CB THR A 346 108.952 -3.244 -9.270 1.00 2.02 C ATOM 437 OG1 THR A 346 108.057 -3.203 -8.167 1.00 1.96 O ATOM 438 CG2 THR A 346 108.717 -2.027 -10.166 1.00 2.07 C ATOM 0 H THR A 346 106.792 -3.611 -10.255 1.00 2.06 H new ATOM 0 HA THR A 346 109.476 -4.674 -10.835 1.00 2.06 H new ATOM 0 HB THR A 346 109.979 -3.230 -8.905 1.00 2.02 H new ATOM 0 HG1 THR A 346 108.210 -2.384 -7.652 1.00 1.96 H new ATOM 0 HG21 THR A 346 108.888 -1.115 -9.594 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.405 -2.059 -11.011 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.691 -2.038 -10.533 1.00 2.07 H new ATOM 446 N PRO A 347 109.834 -6.473 -9.234 1.00 2.03 N ATOM 447 CA PRO A 347 109.997 -7.686 -8.397 1.00 1.99 C ATOM 448 C PRO A 347 109.849 -7.330 -6.916 1.00 1.79 C ATOM 449 O PRO A 347 109.300 -8.086 -6.138 1.00 1.68 O ATOM 450 CB PRO A 347 111.418 -8.161 -8.703 1.00 2.25 C ATOM 451 CG PRO A 347 111.796 -7.499 -9.993 1.00 2.38 C ATOM 452 CD PRO A 347 110.991 -6.233 -10.100 1.00 2.29 C ATOM 0 HA PRO A 347 109.250 -8.451 -8.607 1.00 1.99 H new ATOM 0 HB2 PRO A 347 112.105 -7.883 -7.904 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.457 -9.247 -8.793 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.863 -7.278 -10.013 1.00 2.38 H new ATOM 0 HG3 PRO A 347 111.591 -8.157 -10.837 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.564 -5.367 -9.769 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.686 -6.040 -11.129 1.00 2.29 H new ATOM 460 N GLU A 348 110.314 -6.176 -6.524 1.00 1.76 N ATOM 461 CA GLU A 348 110.175 -5.762 -5.098 1.00 1.64 C ATOM 462 C GLU A 348 108.695 -5.608 -4.736 1.00 1.41 C ATOM 463 O GLU A 348 108.279 -5.914 -3.638 1.00 1.31 O ATOM 464 CB GLU A 348 110.893 -4.414 -5.007 1.00 1.72 C ATOM 465 CG GLU A 348 112.383 -4.609 -5.296 1.00 2.14 C ATOM 466 CD GLU A 348 113.112 -3.273 -5.139 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.438 -2.267 -4.991 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.331 -3.279 -5.170 1.00 2.49 O ATOM 0 H GLU A 348 110.784 -5.502 -7.128 1.00 1.76 H new ATOM 0 HA GLU A 348 110.596 -6.495 -4.410 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.462 -3.712 -5.720 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.757 -3.984 -4.015 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.803 -5.347 -4.613 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.521 -4.994 -6.306 1.00 2.14 H new ATOM 475 N GLY A 349 107.897 -5.138 -5.654 1.00 1.42 N ATOM 476 CA GLY A 349 106.444 -4.967 -5.363 1.00 1.30 C ATOM 477 C GLY A 349 105.836 -6.314 -4.968 1.00 1.23 C ATOM 478 O GLY A 349 104.956 -6.386 -4.133 1.00 1.23 O ATOM 0 H GLY A 349 108.187 -4.865 -6.593 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.307 -4.245 -4.558 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.932 -4.569 -6.239 1.00 1.30 H new ATOM 482 N ARG A 350 106.381 -7.389 -5.464 1.00 1.19 N ATOM 483 CA ARG A 350 105.916 -8.731 -5.009 1.00 1.15 C ATOM 484 C ARG A 350 106.516 -9.041 -3.644 1.00 1.06 C ATOM 485 O ARG A 350 105.872 -9.606 -2.784 1.00 0.94 O ATOM 486 CB ARG A 350 106.432 -9.711 -6.058 1.00 1.18 C ATOM 487 CG ARG A 350 106.125 -9.164 -7.447 1.00 1.81 C ATOM 488 CD ARG A 350 106.488 -10.207 -8.505 1.00 2.33 C ATOM 489 NE ARG A 350 107.929 -10.505 -8.271 1.00 2.77 N ATOM 490 CZ ARG A 350 108.523 -11.454 -8.946 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.858 -12.149 -9.830 1.00 3.46 N ATOM 492 NH2 ARG A 350 109.786 -11.709 -8.737 1.00 3.62 N ATOM 0 H ARG A 350 107.125 -7.398 -6.162 1.00 1.19 H new ATOM 0 HA ARG A 350 104.832 -8.787 -4.909 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.506 -9.857 -5.940 1.00 1.18 H new ATOM 0 HB3 ARG A 350 105.962 -10.685 -5.925 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.068 -8.909 -7.522 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.688 -8.246 -7.619 1.00 1.81 H new ATOM 0 HD2 ARG A 350 105.877 -11.104 -8.401 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.322 -9.823 -9.512 1.00 2.33 H new ATOM 0 HE ARG A 350 108.454 -9.967 -7.582 1.00 2.77 H new ATOM 0 HH11 ARG A 350 106.871 -11.952 -9.996 1.00 3.46 H new ATOM 0 HH12 ARG A 350 108.326 -12.888 -10.354 1.00 3.46 H new ATOM 0 HH21 ARG A 350 110.308 -11.168 -8.048 1.00 3.62 H new ATOM 0 HH22 ARG A 350 110.251 -12.449 -9.263 1.00 3.62 H new ATOM 506 N SER A 351 107.723 -8.619 -3.413 1.00 1.15 N ATOM 507 CA SER A 351 108.327 -8.836 -2.069 1.00 1.10 C ATOM 508 C SER A 351 107.400 -8.261 -0.995 1.00 0.97 C ATOM 509 O SER A 351 107.094 -8.907 -0.013 1.00 0.87 O ATOM 510 CB SER A 351 109.652 -8.075 -2.101 1.00 1.25 C ATOM 511 OG SER A 351 110.419 -8.517 -3.212 1.00 2.40 O ATOM 0 H SER A 351 108.316 -8.137 -4.089 1.00 1.15 H new ATOM 0 HA SER A 351 108.476 -9.891 -1.839 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.468 -7.003 -2.175 1.00 1.25 H new ATOM 0 HB3 SER A 351 110.203 -8.241 -1.175 1.00 1.25 H new ATOM 0 HG SER A 351 111.326 -8.152 -3.149 1.00 2.40 H new ATOM 517 N ILE A 352 106.881 -7.086 -1.216 1.00 1.00 N ATOM 518 CA ILE A 352 105.898 -6.510 -0.259 1.00 0.93 C ATOM 519 C ILE A 352 104.628 -7.370 -0.189 1.00 0.80 C ATOM 520 O ILE A 352 104.213 -7.776 0.877 1.00 0.70 O ATOM 521 CB ILE A 352 105.610 -5.119 -0.822 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.741 -4.179 -0.409 1.00 1.16 C ATOM 523 CG2 ILE A 352 104.280 -4.585 -0.290 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.599 -2.860 -1.158 1.00 1.39 C ATOM 0 H ILE A 352 107.096 -6.498 -2.021 1.00 1.00 H new ATOM 0 HA ILE A 352 106.274 -6.471 0.763 1.00 0.93 H new ATOM 0 HB ILE A 352 105.545 -5.179 -1.908 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.710 -4.005 0.667 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.706 -4.634 -0.630 1.00 1.16 H new ATOM 0 HG21 ILE A 352 104.094 -3.594 -0.703 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.474 -5.257 -0.584 1.00 1.16 H new ATOM 0 HG23 ILE A 352 104.322 -4.523 0.797 1.00 1.16 H new ATOM 0 HD11 ILE A 352 107.405 -2.187 -0.865 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.651 -3.044 -2.231 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.639 -2.405 -0.914 1.00 1.39 H new ATOM 536 N VAL A 353 103.967 -7.596 -1.298 1.00 0.86 N ATOM 537 CA VAL A 353 102.677 -8.356 -1.251 1.00 0.82 C ATOM 538 C VAL A 353 102.849 -9.674 -0.481 1.00 0.77 C ATOM 539 O VAL A 353 101.988 -10.072 0.282 1.00 0.77 O ATOM 540 CB VAL A 353 102.322 -8.638 -2.716 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.109 -9.569 -2.783 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.987 -7.324 -3.424 1.00 1.10 C ATOM 0 H VAL A 353 104.260 -7.291 -2.226 1.00 0.86 H new ATOM 0 HA VAL A 353 101.896 -7.793 -0.740 1.00 0.82 H new ATOM 0 HB VAL A 353 103.173 -9.112 -3.205 1.00 0.97 H new ATOM 0 HG11 VAL A 353 100.860 -9.767 -3.825 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.343 -10.508 -2.281 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.260 -9.096 -2.290 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.735 -7.526 -4.465 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.138 -6.851 -2.930 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.849 -6.658 -3.382 1.00 1.10 H new ATOM 552 N ILE A 354 104.017 -10.244 -0.517 1.00 0.79 N ATOM 553 CA ILE A 354 104.301 -11.403 0.378 1.00 0.84 C ATOM 554 C ILE A 354 104.355 -10.951 1.838 1.00 0.72 C ATOM 555 O ILE A 354 103.797 -11.580 2.712 1.00 0.77 O ATOM 556 CB ILE A 354 105.661 -11.921 -0.069 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.584 -12.350 -1.536 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.065 -13.115 0.799 1.00 1.11 C ATOM 559 CD1 ILE A 354 106.993 -12.389 -2.132 1.00 1.36 C ATOM 0 H ILE A 354 104.787 -9.962 -1.124 1.00 0.79 H new ATOM 0 HA ILE A 354 103.528 -12.169 0.314 1.00 0.84 H new ATOM 0 HB ILE A 354 106.405 -11.132 0.038 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.117 -13.332 -1.615 1.00 1.21 H new ATOM 0 HG13 ILE A 354 104.960 -11.654 -2.097 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.039 -13.485 0.478 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.121 -12.804 1.842 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.324 -13.907 0.696 1.00 1.11 H new ATOM 0 HD11 ILE A 354 106.938 -12.695 -3.177 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.443 -11.398 -2.067 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.603 -13.102 -1.577 1.00 1.36 H new ATOM 571 N LEU A 355 105.095 -9.923 2.119 1.00 0.63 N ATOM 572 CA LEU A 355 105.270 -9.499 3.539 1.00 0.62 C ATOM 573 C LEU A 355 103.923 -9.437 4.262 1.00 0.55 C ATOM 574 O LEU A 355 103.746 -10.004 5.320 1.00 0.61 O ATOM 575 CB LEU A 355 105.858 -8.101 3.453 1.00 0.64 C ATOM 576 CG LEU A 355 106.111 -7.579 4.866 1.00 0.73 C ATOM 577 CD1 LEU A 355 107.199 -8.422 5.528 1.00 1.14 C ATOM 578 CD2 LEU A 355 106.562 -6.118 4.801 1.00 1.15 C ATOM 0 H LEU A 355 105.589 -9.354 1.431 1.00 0.63 H new ATOM 0 HA LEU A 355 105.900 -10.197 4.091 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.789 -8.119 2.886 1.00 0.64 H new ATOM 0 HB3 LEU A 355 105.175 -7.437 2.923 1.00 0.64 H new ATOM 0 HG LEU A 355 105.192 -7.646 5.449 1.00 0.73 H new ATOM 0 HD11 LEU A 355 107.382 -8.052 6.537 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.875 -9.462 5.576 1.00 1.14 H new ATOM 0 HD13 LEU A 355 108.117 -8.354 4.944 1.00 1.14 H new ATOM 0 HD21 LEU A 355 106.742 -5.748 5.810 1.00 1.15 H new ATOM 0 HD22 LEU A 355 107.481 -6.046 4.219 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.785 -5.518 4.327 1.00 1.15 H new ATOM 590 N ALA A 356 102.960 -8.784 3.681 1.00 0.52 N ATOM 591 CA ALA A 356 101.617 -8.732 4.324 1.00 0.54 C ATOM 592 C ALA A 356 101.029 -10.141 4.384 1.00 0.53 C ATOM 593 O ALA A 356 100.333 -10.505 5.315 1.00 0.57 O ATOM 594 CB ALA A 356 100.776 -7.832 3.417 1.00 0.61 C ATOM 0 H ALA A 356 103.041 -8.286 2.794 1.00 0.52 H new ATOM 0 HA ALA A 356 101.651 -8.350 5.344 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.769 -7.744 3.825 1.00 0.61 H new ATOM 0 HB2 ALA A 356 101.233 -6.844 3.361 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.726 -8.266 2.418 1.00 0.61 H new ATOM 600 N LYS A 357 101.263 -10.930 3.376 1.00 0.57 N ATOM 601 CA LYS A 357 100.663 -12.293 3.367 1.00 0.68 C ATOM 602 C LYS A 357 101.133 -13.109 4.577 1.00 0.79 C ATOM 603 O LYS A 357 100.343 -13.690 5.285 1.00 0.93 O ATOM 604 CB LYS A 357 101.147 -12.946 2.079 1.00 0.88 C ATOM 605 CG LYS A 357 100.593 -14.366 2.018 1.00 0.97 C ATOM 606 CD LYS A 357 99.162 -14.334 1.480 1.00 1.16 C ATOM 607 CE LYS A 357 98.631 -15.764 1.355 1.00 0.90 C ATOM 608 NZ LYS A 357 98.565 -16.023 -0.110 1.00 1.15 N ATOM 0 H LYS A 357 101.837 -10.696 2.566 1.00 0.57 H new ATOM 0 HA LYS A 357 99.575 -12.245 3.420 1.00 0.68 H new ATOM 0 HB2 LYS A 357 100.813 -12.372 1.215 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.236 -12.963 2.049 1.00 0.88 H new ATOM 0 HG2 LYS A 357 101.220 -14.985 1.376 1.00 0.97 H new ATOM 0 HG3 LYS A 357 100.610 -14.817 3.010 1.00 0.97 H new ATOM 0 HD2 LYS A 357 98.524 -13.755 2.148 1.00 1.16 H new ATOM 0 HD3 LYS A 357 99.138 -13.840 0.509 1.00 1.16 H new ATOM 0 HE2 LYS A 357 99.291 -16.475 1.852 1.00 0.90 H new ATOM 0 HE3 LYS A 357 97.649 -15.862 1.818 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 98.209 -16.986 -0.277 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 97.925 -15.335 -0.556 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 99.515 -15.929 -0.522 1.00 1.15 H new ATOM 622 N GLN A 358 102.409 -13.190 4.813 1.00 0.80 N ATOM 623 CA GLN A 358 102.879 -14.005 5.968 1.00 1.01 C ATOM 624 C GLN A 358 102.400 -13.374 7.280 1.00 1.05 C ATOM 625 O GLN A 358 102.029 -14.062 8.209 1.00 1.25 O ATOM 626 CB GLN A 358 104.408 -14.006 5.877 1.00 1.03 C ATOM 627 CG GLN A 358 104.935 -12.575 5.957 1.00 0.99 C ATOM 628 CD GLN A 358 106.436 -12.568 5.667 1.00 1.21 C ATOM 629 OE1 GLN A 358 106.901 -13.270 4.791 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.220 -11.797 6.369 1.00 1.90 N ATOM 0 H GLN A 358 103.140 -12.735 4.266 1.00 0.80 H new ATOM 0 HA GLN A 358 102.486 -15.022 5.945 1.00 1.01 H new ATOM 0 HB2 GLN A 358 104.829 -14.603 6.686 1.00 1.03 H new ATOM 0 HB3 GLN A 358 104.725 -14.468 4.942 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.412 -11.943 5.239 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.743 -12.160 6.946 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.830 -11.207 7.104 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.223 -11.784 6.182 1.00 1.90 H new ATOM 639 N ARG A 359 102.426 -12.071 7.372 1.00 0.93 N ATOM 640 CA ARG A 359 101.995 -11.403 8.633 1.00 1.10 C ATOM 641 C ARG A 359 100.469 -11.457 8.812 1.00 1.09 C ATOM 642 O ARG A 359 99.982 -11.688 9.900 1.00 1.55 O ATOM 643 CB ARG A 359 102.471 -9.958 8.490 1.00 1.08 C ATOM 644 CG ARG A 359 103.998 -9.925 8.581 1.00 1.26 C ATOM 645 CD ARG A 359 104.493 -8.496 8.370 1.00 1.27 C ATOM 646 NE ARG A 359 105.968 -8.570 8.555 1.00 1.47 N ATOM 647 CZ ARG A 359 106.474 -8.743 9.748 1.00 1.98 C ATOM 648 NH1 ARG A 359 105.689 -8.851 10.787 1.00 2.63 N ATOM 649 NH2 ARG A 359 107.769 -8.806 9.903 1.00 2.38 N ATOM 0 H ARG A 359 102.727 -11.441 6.628 1.00 0.93 H new ATOM 0 HA ARG A 359 102.413 -11.896 9.511 1.00 1.10 H new ATOM 0 HB2 ARG A 359 102.142 -9.546 7.536 1.00 1.08 H new ATOM 0 HB3 ARG A 359 102.034 -9.338 9.273 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.322 -10.293 9.554 1.00 1.26 H new ATOM 0 HG3 ARG A 359 104.431 -10.585 7.830 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.237 -8.132 7.375 1.00 1.27 H new ATOM 0 HD3 ARG A 359 104.039 -7.811 9.086 1.00 1.27 H new ATOM 0 HE ARG A 359 106.586 -8.485 7.748 1.00 1.47 H new ATOM 0 HH11 ARG A 359 104.677 -8.800 10.669 1.00 2.63 H new ATOM 0 HH12 ARG A 359 106.088 -8.986 11.716 1.00 2.63 H new ATOM 0 HH21 ARG A 359 108.384 -8.720 9.094 1.00 2.38 H new ATOM 0 HH22 ARG A 359 108.165 -8.941 10.833 1.00 2.38 H new ATOM 663 N PHE A 360 99.707 -11.194 7.781 1.00 0.70 N ATOM 664 CA PHE A 360 98.221 -11.180 7.958 1.00 0.74 C ATOM 665 C PHE A 360 97.566 -12.283 7.131 1.00 0.74 C ATOM 666 O PHE A 360 96.422 -12.637 7.340 1.00 1.09 O ATOM 667 CB PHE A 360 97.776 -9.801 7.472 1.00 0.85 C ATOM 668 CG PHE A 360 98.301 -8.747 8.417 1.00 1.28 C ATOM 669 CD1 PHE A 360 98.228 -8.951 9.803 1.00 2.03 C ATOM 670 CD2 PHE A 360 98.860 -7.565 7.911 1.00 1.78 C ATOM 671 CE1 PHE A 360 98.714 -7.974 10.682 1.00 3.03 C ATOM 672 CE2 PHE A 360 99.347 -6.588 8.792 1.00 2.74 C ATOM 673 CZ PHE A 360 99.274 -6.792 10.176 1.00 3.32 C ATOM 0 H PHE A 360 100.041 -10.991 6.839 1.00 0.70 H new ATOM 0 HA PHE A 360 97.932 -11.360 8.994 1.00 0.74 H new ATOM 0 HB2 PHE A 360 98.148 -9.620 6.464 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.688 -9.753 7.423 1.00 0.85 H new ATOM 0 HD1 PHE A 360 97.797 -9.861 10.193 1.00 2.03 H new ATOM 0 HD2 PHE A 360 98.916 -7.407 6.844 1.00 1.78 H new ATOM 0 HE1 PHE A 360 98.657 -8.131 11.749 1.00 3.03 H new ATOM 0 HE2 PHE A 360 99.779 -5.678 8.403 1.00 2.74 H new ATOM 0 HZ PHE A 360 99.649 -6.039 10.853 1.00 3.32 H new ATOM 683 N ASN A 361 98.288 -12.841 6.207 1.00 0.72 N ATOM 684 CA ASN A 361 97.718 -13.940 5.375 1.00 0.77 C ATOM 685 C ASN A 361 96.490 -13.443 4.623 1.00 0.91 C ATOM 686 O ASN A 361 95.525 -14.157 4.438 1.00 1.34 O ATOM 687 CB ASN A 361 97.343 -15.030 6.376 1.00 0.79 C ATOM 688 CG ASN A 361 97.198 -16.367 5.646 1.00 1.27 C ATOM 689 OD1 ASN A 361 97.358 -16.436 4.443 1.00 1.68 O ATOM 690 ND2 ASN A 361 96.900 -17.440 6.327 1.00 1.90 N ATOM 0 H ASN A 361 99.251 -12.586 5.988 1.00 0.72 H new ATOM 0 HA ASN A 361 98.418 -14.305 4.623 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.108 -15.107 7.149 1.00 0.79 H new ATOM 0 HB3 ASN A 361 96.409 -14.774 6.876 1.00 0.79 H new ATOM 0 HD21 ASN A 361 96.801 -18.336 5.850 1.00 1.90 H new ATOM 0 HD22 ASN A 361 96.766 -17.382 7.336 1.00 1.90 H new ATOM 697 N LEU A 362 96.579 -12.266 4.080 1.00 0.88 N ATOM 698 CA LEU A 362 95.483 -11.762 3.208 1.00 1.13 C ATOM 699 C LEU A 362 95.613 -12.377 1.811 1.00 1.12 C ATOM 700 O LEU A 362 96.521 -13.138 1.544 1.00 1.73 O ATOM 701 CB LEU A 362 95.696 -10.252 3.144 1.00 1.68 C ATOM 702 CG LEU A 362 97.128 -9.965 2.688 1.00 2.21 C ATOM 703 CD1 LEU A 362 97.099 -9.199 1.364 1.00 2.65 C ATOM 704 CD2 LEU A 362 97.839 -9.121 3.748 1.00 2.80 C ATOM 0 H LEU A 362 97.365 -11.627 4.201 1.00 0.88 H new ATOM 0 HA LEU A 362 94.494 -12.019 3.587 1.00 1.13 H new ATOM 0 HB2 LEU A 362 94.984 -9.801 2.452 1.00 1.68 H new ATOM 0 HB3 LEU A 362 95.517 -9.806 4.122 1.00 1.68 H new ATOM 0 HG LEU A 362 97.661 -10.906 2.552 1.00 2.21 H new ATOM 0 HD11 LEU A 362 98.119 -8.995 1.039 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.591 -9.798 0.608 1.00 2.65 H new ATOM 0 HD13 LEU A 362 96.566 -8.258 1.500 1.00 2.65 H new ATOM 0 HD21 LEU A 362 98.860 -8.915 3.425 1.00 2.80 H new ATOM 0 HD22 LEU A 362 97.305 -8.181 3.883 1.00 2.80 H new ATOM 0 HD23 LEU A 362 97.860 -9.665 4.692 1.00 2.80 H new ATOM 716 N ARG A 363 94.760 -12.001 0.898 1.00 1.10 N ATOM 717 CA ARG A 363 94.899 -12.510 -0.495 1.00 1.09 C ATOM 718 C ARG A 363 95.005 -11.353 -1.481 1.00 0.86 C ATOM 719 O ARG A 363 94.453 -10.290 -1.276 1.00 1.03 O ATOM 720 CB ARG A 363 93.634 -13.321 -0.756 1.00 1.21 C ATOM 721 CG ARG A 363 93.772 -14.684 -0.087 1.00 2.11 C ATOM 722 CD ARG A 363 92.519 -15.518 -0.360 1.00 2.74 C ATOM 723 NE ARG A 363 92.677 -16.738 0.480 1.00 3.36 N ATOM 724 CZ ARG A 363 93.477 -17.699 0.102 1.00 3.92 C ATOM 725 NH1 ARG A 363 94.146 -17.597 -1.017 1.00 4.21 N ATOM 726 NH2 ARG A 363 93.611 -18.764 0.843 1.00 4.40 N ATOM 0 H ARG A 363 93.977 -11.367 1.055 1.00 1.10 H new ATOM 0 HA ARG A 363 95.800 -13.111 -0.619 1.00 1.09 H new ATOM 0 HB2 ARG A 363 92.763 -12.796 -0.365 1.00 1.21 H new ATOM 0 HB3 ARG A 363 93.479 -13.442 -1.828 1.00 1.21 H new ATOM 0 HG2 ARG A 363 94.654 -15.199 -0.467 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.913 -14.561 0.987 1.00 2.11 H new ATOM 0 HD2 ARG A 363 91.615 -14.970 -0.094 1.00 2.74 H new ATOM 0 HD3 ARG A 363 92.438 -15.774 -1.416 1.00 2.74 H new ATOM 0 HE ARG A 363 92.158 -16.823 1.354 1.00 3.36 H new ATOM 0 HH11 ARG A 363 94.044 -16.765 -1.598 1.00 4.21 H new ATOM 0 HH12 ARG A 363 94.770 -18.350 -1.309 1.00 4.21 H new ATOM 0 HH21 ARG A 363 93.091 -18.846 1.717 1.00 4.40 H new ATOM 0 HH22 ARG A 363 94.235 -19.515 0.549 1.00 4.40 H new ATOM 740 N GLU A 364 95.654 -11.581 -2.585 1.00 0.74 N ATOM 741 CA GLU A 364 95.730 -10.523 -3.631 1.00 0.86 C ATOM 742 C GLU A 364 94.316 -10.103 -4.035 1.00 1.02 C ATOM 743 O GLU A 364 93.402 -10.904 -4.040 1.00 0.95 O ATOM 744 CB GLU A 364 96.458 -11.176 -4.806 1.00 0.96 C ATOM 745 CG GLU A 364 95.526 -12.178 -5.493 1.00 1.26 C ATOM 746 CD GLU A 364 96.294 -12.922 -6.588 1.00 1.69 C ATOM 747 OE1 GLU A 364 97.440 -12.574 -6.821 1.00 2.21 O ATOM 748 OE2 GLU A 364 95.723 -13.828 -7.172 1.00 2.24 O ATOM 0 H GLU A 364 96.135 -12.452 -2.810 1.00 0.74 H new ATOM 0 HA GLU A 364 96.248 -9.628 -3.288 1.00 0.86 H new ATOM 0 HB2 GLU A 364 96.778 -10.415 -5.517 1.00 0.96 H new ATOM 0 HB3 GLU A 364 97.357 -11.682 -4.454 1.00 0.96 H new ATOM 0 HG2 GLU A 364 95.135 -12.887 -4.763 1.00 1.26 H new ATOM 0 HG3 GLU A 364 94.670 -11.658 -5.923 1.00 1.26 H new ATOM 755 N ARG A 365 94.115 -8.851 -4.344 1.00 1.36 N ATOM 756 CA ARG A 365 92.742 -8.402 -4.707 1.00 1.73 C ATOM 757 C ARG A 365 92.610 -8.283 -6.224 1.00 1.59 C ATOM 758 O ARG A 365 93.371 -7.593 -6.873 1.00 1.56 O ATOM 759 CB ARG A 365 92.582 -7.035 -4.043 1.00 1.83 C ATOM 760 CG ARG A 365 92.596 -7.202 -2.522 1.00 2.15 C ATOM 761 CD ARG A 365 92.320 -5.853 -1.855 1.00 2.41 C ATOM 762 NE ARG A 365 92.496 -6.103 -0.397 1.00 3.18 N ATOM 763 CZ ARG A 365 91.561 -6.716 0.282 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.467 -7.111 -0.313 1.00 4.16 N ATOM 765 NH2 ARG A 365 91.722 -6.933 1.558 1.00 3.72 N ATOM 0 H ARG A 365 94.833 -8.127 -4.361 1.00 1.36 H new ATOM 0 HA ARG A 365 91.977 -9.105 -4.377 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.389 -6.371 -4.354 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.648 -6.572 -4.360 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.843 -7.930 -2.219 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.562 -7.589 -2.197 1.00 2.15 H new ATOM 0 HD2 ARG A 365 93.010 -5.088 -2.211 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.312 -5.501 -2.077 1.00 2.41 H new ATOM 0 HE ARG A 365 93.348 -5.795 0.073 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.339 -6.942 -1.311 1.00 4.16 H new ATOM 0 HH12 ARG A 365 89.740 -7.589 0.220 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.575 -6.625 2.024 1.00 3.72 H new ATOM 0 HH22 ARG A 365 90.994 -7.411 2.090 1.00 3.72 H new ATOM 779 N ASP A 366 91.619 -8.916 -6.790 1.00 1.70 N ATOM 780 CA ASP A 366 91.408 -8.797 -8.258 1.00 1.93 C ATOM 781 C ASP A 366 90.842 -7.418 -8.585 1.00 2.04 C ATOM 782 O ASP A 366 89.739 -7.078 -8.204 1.00 2.65 O ATOM 783 CB ASP A 366 90.401 -9.893 -8.604 1.00 2.62 C ATOM 784 CG ASP A 366 91.061 -11.264 -8.440 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.270 -11.301 -8.279 1.00 2.50 O ATOM 786 OD2 ASP A 366 90.347 -12.251 -8.480 1.00 2.86 O ATOM 0 H ASP A 366 90.949 -9.508 -6.300 1.00 1.70 H new ATOM 0 HA ASP A 366 92.332 -8.908 -8.826 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.529 -9.818 -7.955 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.049 -9.768 -9.628 1.00 2.62 H new ATOM 791 N VAL A 367 91.610 -6.607 -9.250 1.00 1.75 N ATOM 792 CA VAL A 367 91.149 -5.228 -9.562 1.00 2.31 C ATOM 793 C VAL A 367 90.038 -5.258 -10.617 1.00 2.53 C ATOM 794 O VAL A 367 89.065 -4.538 -10.523 1.00 3.04 O ATOM 795 CB VAL A 367 92.394 -4.521 -10.098 1.00 2.28 C ATOM 796 CG1 VAL A 367 92.005 -3.170 -10.697 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.388 -4.302 -8.955 1.00 2.52 C ATOM 0 H VAL A 367 92.542 -6.840 -9.593 1.00 1.75 H new ATOM 0 HA VAL A 367 90.730 -4.720 -8.693 1.00 2.31 H new ATOM 0 HB VAL A 367 92.853 -5.139 -10.870 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.896 -2.671 -11.077 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.299 -3.324 -11.513 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.542 -2.551 -9.928 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.276 -3.798 -9.337 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.925 -3.687 -8.183 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.672 -5.265 -8.530 1.00 2.52 H new ATOM 807 N GLN A 368 90.205 -6.031 -11.654 1.00 2.20 N ATOM 808 CA GLN A 368 89.188 -6.036 -12.748 1.00 2.40 C ATOM 809 C GLN A 368 87.927 -6.796 -12.328 1.00 2.11 C ATOM 810 O GLN A 368 86.846 -6.523 -12.813 1.00 2.30 O ATOM 811 CB GLN A 368 89.859 -6.730 -13.930 1.00 2.46 C ATOM 812 CG GLN A 368 88.970 -6.577 -15.164 1.00 3.09 C ATOM 813 CD GLN A 368 89.592 -7.325 -16.344 1.00 3.29 C ATOM 814 OE1 GLN A 368 89.727 -8.532 -16.310 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.982 -6.655 -17.394 1.00 3.69 N ATOM 0 H GLN A 368 90.998 -6.658 -11.793 1.00 2.20 H new ATOM 0 HA GLN A 368 88.871 -5.023 -12.996 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.840 -6.293 -14.116 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.017 -7.785 -13.708 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.974 -6.969 -14.957 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.853 -5.522 -15.411 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.869 -5.642 -17.423 1.00 3.69 H new ATOM 0 HE22 GLN A 368 90.400 -7.145 -18.185 1.00 3.69 H new ATOM 824 N SER A 369 88.017 -7.626 -11.325 1.00 1.80 N ATOM 825 CA SER A 369 86.775 -8.240 -10.773 1.00 1.87 C ATOM 826 C SER A 369 86.023 -7.195 -9.950 1.00 1.79 C ATOM 827 O SER A 369 84.808 -7.181 -9.904 1.00 2.27 O ATOM 828 CB SER A 369 87.243 -9.398 -9.894 1.00 2.47 C ATOM 829 OG SER A 369 87.846 -8.878 -8.716 1.00 3.05 O ATOM 0 H SER A 369 88.886 -7.904 -10.868 1.00 1.80 H new ATOM 0 HA SER A 369 86.098 -8.593 -11.551 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.399 -10.036 -9.633 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.955 -10.018 -10.438 1.00 2.47 H new ATOM 0 HG SER A 369 88.429 -8.126 -8.951 1.00 3.05 H new ATOM 835 N LEU A 370 86.730 -6.222 -9.454 1.00 1.38 N ATOM 836 CA LEU A 370 86.058 -5.058 -8.815 1.00 1.39 C ATOM 837 C LEU A 370 85.813 -3.969 -9.862 1.00 1.12 C ATOM 838 O LEU A 370 85.460 -2.852 -9.533 1.00 1.30 O ATOM 839 CB LEU A 370 87.051 -4.574 -7.760 1.00 1.54 C ATOM 840 CG LEU A 370 87.447 -5.747 -6.860 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.638 -5.343 -5.989 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.265 -6.121 -5.963 1.00 2.14 C ATOM 0 H LEU A 370 87.749 -6.182 -9.463 1.00 1.38 H new ATOM 0 HA LEU A 370 85.091 -5.311 -8.381 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.935 -4.156 -8.241 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.606 -3.778 -7.164 1.00 1.54 H new ATOM 0 HG LEU A 370 87.722 -6.602 -7.477 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.920 -6.178 -5.348 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.480 -5.074 -6.626 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.363 -4.488 -5.371 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.545 -6.956 -5.321 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.991 -5.265 -5.346 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.415 -6.408 -6.582 1.00 2.14 H new ATOM 854 N HIS A 371 86.152 -4.234 -11.097 1.00 1.29 N ATOM 855 CA HIS A 371 86.106 -3.154 -12.121 1.00 1.13 C ATOM 856 C HIS A 371 87.044 -2.032 -11.690 1.00 1.00 C ATOM 857 O HIS A 371 86.872 -0.881 -12.039 1.00 1.35 O ATOM 858 CB HIS A 371 84.660 -2.670 -12.124 1.00 1.54 C ATOM 859 CG HIS A 371 83.952 -3.208 -13.337 1.00 1.50 C ATOM 860 ND1 HIS A 371 82.737 -3.870 -13.249 1.00 1.97 N ATOM 861 CD2 HIS A 371 84.273 -3.191 -14.670 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.375 -4.221 -14.498 1.00 2.10 C ATOM 863 NE2 HIS A 371 83.277 -3.831 -15.402 1.00 1.80 N ATOM 0 H HIS A 371 86.457 -5.146 -11.437 1.00 1.29 H new ATOM 0 HA HIS A 371 86.415 -3.489 -13.111 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.153 -3.001 -11.218 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.630 -1.580 -12.126 1.00 1.54 H new ATOM 0 HD2 HIS A 371 85.164 -2.748 -15.089 1.00 1.80 H new ATOM 0 HE1 HIS A 371 81.466 -4.753 -14.739 1.00 2.10 H new ATOM 0 HE2 HIS A 371 83.243 -3.972 -16.412 1.00 1.80 H new ATOM 871 N ALA A 372 88.042 -2.379 -10.934 1.00 0.75 N ATOM 872 CA ALA A 372 89.024 -1.368 -10.461 1.00 0.94 C ATOM 873 C ALA A 372 90.155 -1.209 -11.483 1.00 0.90 C ATOM 874 O ALA A 372 90.049 -1.630 -12.618 1.00 1.04 O ATOM 875 CB ALA A 372 89.561 -1.929 -9.145 1.00 1.12 C ATOM 0 H ALA A 372 88.223 -3.332 -10.619 1.00 0.75 H new ATOM 0 HA ALA A 372 88.576 -0.383 -10.332 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.295 -1.240 -8.728 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.739 -2.053 -8.440 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.032 -2.895 -9.327 1.00 1.12 H new ATOM 881 N THR A 373 91.214 -0.560 -11.094 1.00 0.85 N ATOM 882 CA THR A 373 92.345 -0.307 -12.034 1.00 0.95 C ATOM 883 C THR A 373 93.686 -0.508 -11.327 1.00 0.93 C ATOM 884 O THR A 373 93.879 -0.069 -10.217 1.00 0.95 O ATOM 885 CB THR A 373 92.192 1.154 -12.445 1.00 1.32 C ATOM 886 OG1 THR A 373 91.022 1.310 -13.235 1.00 2.11 O ATOM 887 CG2 THR A 373 93.421 1.599 -13.239 1.00 1.90 C ATOM 0 H THR A 373 91.348 -0.188 -10.154 1.00 0.85 H new ATOM 0 HA THR A 373 92.326 -0.987 -12.886 1.00 0.95 H new ATOM 0 HB THR A 373 92.103 1.772 -11.551 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.926 2.250 -13.496 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.307 2.643 -13.531 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.312 1.490 -12.621 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.520 0.982 -14.132 1.00 1.90 H new ATOM 895 N PHE A 374 94.654 -1.032 -12.018 1.00 1.01 N ATOM 896 CA PHE A 374 96.030 -1.096 -11.439 1.00 1.25 C ATOM 897 C PHE A 374 96.786 0.197 -11.772 1.00 1.63 C ATOM 898 O PHE A 374 96.684 0.716 -12.865 1.00 1.61 O ATOM 899 CB PHE A 374 96.706 -2.278 -12.140 1.00 1.33 C ATOM 900 CG PHE A 374 96.101 -3.586 -11.684 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.358 -4.067 -10.392 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.299 -4.328 -12.562 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.812 -5.291 -9.979 1.00 3.09 C ATOM 904 CE2 PHE A 374 94.751 -5.550 -12.148 1.00 1.89 C ATOM 905 CZ PHE A 374 95.008 -6.031 -10.857 1.00 2.72 C ATOM 0 H PHE A 374 94.558 -1.419 -12.957 1.00 1.01 H new ATOM 0 HA PHE A 374 96.017 -1.212 -10.355 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.597 -2.178 -13.220 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.775 -2.272 -11.926 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.976 -3.495 -9.716 1.00 2.53 H new ATOM 0 HD2 PHE A 374 95.103 -3.958 -13.558 1.00 1.41 H new ATOM 0 HE1 PHE A 374 96.011 -5.663 -8.985 1.00 3.09 H new ATOM 0 HE2 PHE A 374 94.131 -6.121 -12.824 1.00 1.89 H new ATOM 0 HZ PHE A 374 94.586 -6.973 -10.538 1.00 2.72 H new ATOM 915 N VAL A 375 97.606 0.677 -10.877 1.00 2.14 N ATOM 916 CA VAL A 375 98.434 1.878 -11.195 1.00 2.61 C ATOM 917 C VAL A 375 99.913 1.485 -11.279 1.00 2.22 C ATOM 918 O VAL A 375 100.507 1.109 -10.289 1.00 1.65 O ATOM 919 CB VAL A 375 98.206 2.843 -10.034 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.756 4.223 -10.401 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.706 2.952 -9.747 1.00 3.65 C ATOM 0 H VAL A 375 97.739 0.292 -9.942 1.00 2.14 H new ATOM 0 HA VAL A 375 98.162 2.324 -12.151 1.00 2.61 H new ATOM 0 HB VAL A 375 98.720 2.471 -9.147 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.593 4.912 -9.572 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.824 4.147 -10.605 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.243 4.595 -11.288 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.543 3.641 -8.918 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.192 3.323 -10.634 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.313 1.970 -9.485 1.00 3.65 H new ATOM 931 N PRO A 376 100.436 1.521 -12.476 1.00 2.87 N ATOM 932 CA PRO A 376 101.835 1.086 -12.715 1.00 2.67 C ATOM 933 C PRO A 376 102.813 1.855 -11.820 1.00 2.48 C ATOM 934 O PRO A 376 102.577 2.987 -11.446 1.00 3.24 O ATOM 935 CB PRO A 376 102.085 1.404 -14.192 1.00 3.84 C ATOM 936 CG PRO A 376 100.931 2.250 -14.635 1.00 4.63 C ATOM 937 CD PRO A 376 99.783 1.969 -13.705 1.00 4.03 C ATOM 0 HA PRO A 376 101.983 0.031 -12.484 1.00 2.67 H new ATOM 0 HB2 PRO A 376 103.029 1.933 -14.323 1.00 3.84 H new ATOM 0 HB3 PRO A 376 102.148 0.490 -14.782 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.197 3.307 -14.608 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.657 2.017 -15.664 1.00 4.63 H new ATOM 0 HD2 PRO A 376 99.178 2.859 -13.535 1.00 4.03 H new ATOM 0 HD3 PRO A 376 99.119 1.204 -14.108 1.00 4.03 H new ATOM 945 N PHE A 377 103.932 1.254 -11.515 1.00 2.13 N ATOM 946 CA PHE A 377 104.966 1.944 -10.687 1.00 3.07 C ATOM 947 C PHE A 377 105.976 2.648 -11.596 1.00 3.61 C ATOM 948 O PHE A 377 106.647 2.026 -12.396 1.00 4.10 O ATOM 949 CB PHE A 377 105.640 0.810 -9.905 1.00 3.15 C ATOM 950 CG PHE A 377 106.772 1.347 -9.053 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.926 2.730 -8.862 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.682 0.458 -8.463 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.983 3.219 -8.085 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.742 0.949 -7.686 1.00 5.70 C ATOM 955 CZ PHE A 377 108.891 2.329 -7.498 1.00 5.79 C ATOM 0 H PHE A 377 104.177 0.307 -11.806 1.00 2.13 H new ATOM 0 HA PHE A 377 104.547 2.707 -10.030 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.906 0.312 -9.272 1.00 3.15 H new ATOM 0 HB3 PHE A 377 106.023 0.061 -10.598 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.228 3.418 -9.316 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.567 -0.606 -8.607 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.098 4.283 -7.938 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.443 0.263 -7.233 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.707 2.707 -6.900 1.00 5.79 H new ATOM 965 N THR A 378 106.129 3.935 -11.441 1.00 3.85 N ATOM 966 CA THR A 378 107.142 4.668 -12.252 1.00 4.47 C ATOM 967 C THR A 378 108.262 5.179 -11.345 1.00 4.28 C ATOM 968 O THR A 378 108.029 5.558 -10.213 1.00 3.71 O ATOM 969 CB THR A 378 106.381 5.838 -12.877 1.00 4.59 C ATOM 970 OG1 THR A 378 106.100 6.806 -11.875 1.00 4.26 O ATOM 971 CG2 THR A 378 105.070 5.332 -13.481 1.00 5.29 C ATOM 0 H THR A 378 105.597 4.510 -10.788 1.00 3.85 H new ATOM 0 HA THR A 378 107.605 4.036 -13.010 1.00 4.47 H new ATOM 0 HB THR A 378 106.989 6.290 -13.661 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.614 7.558 -12.274 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.528 6.167 -13.926 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.286 4.589 -14.249 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.460 4.879 -12.699 1.00 5.29 H new ATOM 979 N ALA A 379 109.478 5.146 -11.817 1.00 5.01 N ATOM 980 CA ALA A 379 110.625 5.581 -10.970 1.00 5.10 C ATOM 981 C ALA A 379 110.670 7.107 -10.868 1.00 5.05 C ATOM 982 O ALA A 379 111.202 7.658 -9.925 1.00 5.37 O ATOM 983 CB ALA A 379 111.867 5.054 -11.687 1.00 6.13 C ATOM 0 H ALA A 379 109.728 4.835 -12.756 1.00 5.01 H new ATOM 0 HA ALA A 379 110.548 5.202 -9.951 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.758 5.334 -11.125 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.811 3.968 -11.761 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.920 5.484 -12.687 1.00 6.13 H new ATOM 989 N GLN A 380 110.187 7.798 -11.867 1.00 4.87 N ATOM 990 CA GLN A 380 110.288 9.286 -11.850 1.00 4.93 C ATOM 991 C GLN A 380 109.607 9.843 -10.599 1.00 4.05 C ATOM 992 O GLN A 380 110.195 10.593 -9.844 1.00 3.84 O ATOM 993 CB GLN A 380 109.556 9.747 -13.111 1.00 5.65 C ATOM 994 CG GLN A 380 110.285 9.219 -14.348 1.00 6.07 C ATOM 995 CD GLN A 380 109.615 9.767 -15.609 1.00 7.03 C ATOM 996 OE1 GLN A 380 109.826 10.905 -15.978 1.00 7.74 O ATOM 997 NE2 GLN A 380 108.809 8.999 -16.291 1.00 7.22 N ATOM 0 H GLN A 380 109.730 7.400 -12.688 1.00 4.87 H new ATOM 0 HA GLN A 380 111.321 9.632 -11.831 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.528 9.385 -13.100 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.510 10.836 -13.140 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.333 9.518 -14.321 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.265 8.129 -14.357 1.00 6.07 H new ATOM 0 HE21 GLN A 380 108.632 8.043 -15.982 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.357 9.355 -17.133 1.00 7.22 H new ATOM 1006 N SER A 381 108.420 9.389 -10.311 1.00 3.64 N ATOM 1007 CA SER A 381 107.760 9.789 -9.036 1.00 3.06 C ATOM 1008 C SER A 381 108.086 8.770 -7.946 1.00 2.42 C ATOM 1009 O SER A 381 107.828 8.989 -6.780 1.00 3.00 O ATOM 1010 CB SER A 381 106.265 9.785 -9.346 1.00 3.49 C ATOM 1011 OG SER A 381 105.805 8.442 -9.426 1.00 3.82 O ATOM 0 H SER A 381 107.878 8.759 -10.902 1.00 3.64 H new ATOM 0 HA SER A 381 108.095 10.763 -8.678 1.00 3.06 H new ATOM 0 HB2 SER A 381 105.720 10.323 -8.570 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.076 10.303 -10.286 1.00 3.49 H new ATOM 0 HG SER A 381 105.997 8.083 -10.317 1.00 3.82 H new ATOM 1017 N ARG A 382 108.607 7.634 -8.327 1.00 1.65 N ATOM 1018 CA ARG A 382 108.894 6.571 -7.324 1.00 1.74 C ATOM 1019 C ARG A 382 107.597 6.154 -6.630 1.00 1.57 C ATOM 1020 O ARG A 382 107.489 6.209 -5.420 1.00 2.08 O ATOM 1021 CB ARG A 382 109.850 7.215 -6.318 1.00 2.53 C ATOM 1022 CG ARG A 382 110.994 7.901 -7.065 1.00 2.69 C ATOM 1023 CD ARG A 382 112.027 8.413 -6.059 1.00 2.89 C ATOM 1024 NE ARG A 382 112.652 7.186 -5.490 1.00 3.36 N ATOM 1025 CZ ARG A 382 113.788 7.264 -4.849 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.385 8.416 -4.704 1.00 3.72 N ATOM 1027 NH2 ARG A 382 114.328 6.185 -4.353 1.00 4.25 N ATOM 0 H ARG A 382 108.846 7.398 -9.290 1.00 1.65 H new ATOM 0 HA ARG A 382 109.325 5.678 -7.778 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.315 7.941 -5.706 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.246 6.458 -5.641 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.461 7.201 -7.758 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.609 8.729 -7.660 1.00 2.69 H new ATOM 0 HD2 ARG A 382 112.770 9.046 -6.544 1.00 2.89 H new ATOM 0 HD3 ARG A 382 111.556 9.013 -5.281 1.00 2.89 H new ATOM 0 HE ARG A 382 112.192 6.283 -5.601 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.965 9.261 -5.092 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.272 8.471 -4.203 1.00 3.72 H new ATOM 0 HH21 ARG A 382 113.864 5.284 -4.466 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.215 6.242 -3.852 1.00 4.25 H new ATOM 1041 N MET A 383 106.594 5.780 -7.380 1.00 1.27 N ATOM 1042 CA MET A 383 105.302 5.419 -6.737 1.00 1.19 C ATOM 1043 C MET A 383 104.515 4.428 -7.587 1.00 1.07 C ATOM 1044 O MET A 383 104.509 4.488 -8.801 1.00 1.14 O ATOM 1045 CB MET A 383 104.528 6.729 -6.611 1.00 1.32 C ATOM 1046 CG MET A 383 105.230 7.647 -5.612 1.00 1.51 C ATOM 1047 SD MET A 383 104.193 9.098 -5.309 1.00 2.09 S ATOM 1048 CE MET A 383 103.831 9.462 -7.042 1.00 1.57 C ATOM 0 H MET A 383 106.614 5.710 -8.397 1.00 1.27 H new ATOM 0 HA MET A 383 105.467 4.940 -5.772 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.460 7.217 -7.583 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.508 6.530 -6.282 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.414 7.115 -4.678 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.201 7.954 -6.001 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.611 10.524 -7.152 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.694 9.205 -7.656 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.969 8.877 -7.364 1.00 1.57 H new ATOM 1058 N SER A 384 103.723 3.639 -6.934 1.00 0.97 N ATOM 1059 CA SER A 384 102.760 2.755 -7.636 1.00 1.02 C ATOM 1060 C SER A 384 101.502 2.665 -6.778 1.00 0.93 C ATOM 1061 O SER A 384 101.491 3.121 -5.656 1.00 0.83 O ATOM 1062 CB SER A 384 103.457 1.401 -7.721 1.00 1.23 C ATOM 1063 OG SER A 384 103.339 0.733 -6.471 1.00 1.18 O ATOM 0 H SER A 384 103.700 3.566 -5.917 1.00 0.97 H new ATOM 0 HA SER A 384 102.476 3.110 -8.627 1.00 1.02 H new ATOM 0 HB2 SER A 384 103.011 0.798 -8.512 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.508 1.535 -7.977 1.00 1.23 H new ATOM 0 HG SER A 384 104.204 0.342 -6.226 1.00 1.18 H new ATOM 1069 N GLY A 385 100.430 2.142 -7.286 1.00 1.02 N ATOM 1070 CA GLY A 385 99.193 2.116 -6.461 1.00 1.00 C ATOM 1071 C GLY A 385 98.082 1.388 -7.196 1.00 0.95 C ATOM 1072 O GLY A 385 98.303 0.656 -8.137 1.00 1.13 O ATOM 0 H GLY A 385 100.352 1.737 -8.219 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.393 1.622 -5.510 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.880 3.135 -6.232 1.00 1.00 H new ATOM 1076 N ILE A 386 96.886 1.580 -6.745 1.00 0.80 N ATOM 1077 CA ILE A 386 95.725 0.909 -7.366 1.00 0.78 C ATOM 1078 C ILE A 386 94.491 1.782 -7.179 1.00 0.77 C ATOM 1079 O ILE A 386 94.353 2.467 -6.189 1.00 0.80 O ATOM 1080 CB ILE A 386 95.588 -0.397 -6.595 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.254 -1.058 -6.916 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.653 -0.117 -5.095 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.173 -2.356 -6.127 1.00 1.26 C ATOM 0 H ILE A 386 96.658 2.186 -5.956 1.00 0.80 H new ATOM 0 HA ILE A 386 95.842 0.736 -8.436 1.00 0.78 H new ATOM 0 HB ILE A 386 96.402 -1.061 -6.885 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.428 -0.398 -6.651 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.174 -1.256 -7.985 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.555 -1.053 -4.546 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.609 0.347 -4.853 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.842 0.555 -4.815 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.225 -2.852 -6.338 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.996 -3.009 -6.416 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.239 -2.139 -5.061 1.00 1.26 H new ATOM 1095 N ASN A 387 93.564 1.711 -8.075 1.00 0.78 N ATOM 1096 CA ASN A 387 92.305 2.477 -7.895 1.00 0.83 C ATOM 1097 C ASN A 387 91.135 1.505 -7.916 1.00 0.92 C ATOM 1098 O ASN A 387 91.121 0.573 -8.685 1.00 0.86 O ATOM 1099 CB ASN A 387 92.227 3.427 -9.095 1.00 0.91 C ATOM 1100 CG ASN A 387 93.600 4.047 -9.355 1.00 1.31 C ATOM 1101 OD1 ASN A 387 93.954 4.312 -10.486 1.00 2.04 O ATOM 1102 ND2 ASN A 387 94.391 4.287 -8.351 1.00 1.81 N ATOM 0 H ASN A 387 93.618 1.156 -8.929 1.00 0.78 H new ATOM 0 HA ASN A 387 92.276 3.026 -6.954 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.890 2.885 -9.978 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.494 4.211 -8.903 1.00 0.91 H new ATOM 0 HD21 ASN A 387 95.310 4.698 -8.513 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.092 4.064 -7.402 1.00 1.81 H new ATOM 1109 N ILE A 388 90.124 1.738 -7.145 1.00 1.18 N ATOM 1110 CA ILE A 388 88.941 0.842 -7.223 1.00 1.31 C ATOM 1111 C ILE A 388 87.662 1.638 -7.003 1.00 1.70 C ATOM 1112 O ILE A 388 87.696 2.799 -6.647 1.00 1.89 O ATOM 1113 CB ILE A 388 89.146 -0.186 -6.119 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.962 -1.153 -6.093 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.244 0.533 -4.780 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.433 -2.513 -5.583 1.00 2.11 C ATOM 0 H ILE A 388 90.059 2.499 -6.469 1.00 1.18 H new ATOM 0 HA ILE A 388 88.845 0.365 -8.199 1.00 1.31 H new ATOM 0 HB ILE A 388 90.063 -0.745 -6.305 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.173 -0.763 -5.449 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.537 -1.253 -7.092 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.391 -0.198 -3.985 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.087 1.224 -4.799 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.324 1.088 -4.597 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.591 -3.205 -5.563 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.207 -2.902 -6.245 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.837 -2.404 -4.577 1.00 2.11 H new ATOM 1128 N ASP A 389 86.543 1.068 -7.348 1.00 1.97 N ATOM 1129 CA ASP A 389 85.264 1.834 -7.332 1.00 2.37 C ATOM 1130 C ASP A 389 84.854 2.322 -5.925 1.00 2.14 C ATOM 1131 O ASP A 389 83.808 2.918 -5.768 1.00 2.92 O ATOM 1132 CB ASP A 389 84.241 0.826 -7.844 1.00 2.65 C ATOM 1133 CG ASP A 389 84.440 0.611 -9.345 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.216 1.347 -9.931 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.811 -0.285 -9.883 1.00 3.85 O ATOM 0 H ASP A 389 86.457 0.095 -7.643 1.00 1.97 H new ATOM 0 HA ASP A 389 85.347 2.742 -7.929 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.350 -0.120 -7.313 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.231 1.186 -7.649 1.00 2.65 H new ATOM 1140 N ASN A 390 85.686 2.181 -4.924 1.00 1.20 N ATOM 1141 CA ASN A 390 85.332 2.761 -3.594 1.00 1.12 C ATOM 1142 C ASN A 390 86.581 3.278 -2.858 1.00 0.97 C ATOM 1143 O ASN A 390 86.511 3.631 -1.698 1.00 1.15 O ATOM 1144 CB ASN A 390 84.699 1.607 -2.820 1.00 1.13 C ATOM 1145 CG ASN A 390 83.923 2.160 -1.622 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.608 3.333 -1.578 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.599 1.360 -0.644 1.00 1.89 N ATOM 0 H ASN A 390 86.582 1.697 -4.968 1.00 1.20 H new ATOM 0 HA ASN A 390 84.662 3.615 -3.694 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.031 1.042 -3.470 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.471 0.917 -2.480 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.081 1.719 0.158 1.00 1.89 H new ATOM 0 HD22 ASN A 390 83.864 0.376 -0.681 1.00 1.89 H new ATOM 1154 N ARG A 391 87.740 3.212 -3.466 1.00 0.83 N ATOM 1155 CA ARG A 391 88.982 3.572 -2.723 1.00 0.73 C ATOM 1156 C ARG A 391 90.102 3.964 -3.687 1.00 0.74 C ATOM 1157 O ARG A 391 90.199 3.441 -4.777 1.00 1.10 O ATOM 1158 CB ARG A 391 89.373 2.304 -1.958 1.00 0.94 C ATOM 1159 CG ARG A 391 88.329 2.002 -0.879 1.00 1.05 C ATOM 1160 CD ARG A 391 88.830 0.860 0.008 1.00 1.30 C ATOM 1161 NE ARG A 391 89.095 -0.267 -0.929 1.00 1.92 N ATOM 1162 CZ ARG A 391 89.662 -1.362 -0.497 1.00 2.13 C ATOM 1163 NH1 ARG A 391 90.001 -1.477 0.760 1.00 2.15 N ATOM 1164 NH2 ARG A 391 89.892 -2.345 -1.324 1.00 2.69 N ATOM 0 H ARG A 391 87.877 2.927 -4.436 1.00 0.83 H new ATOM 0 HA ARG A 391 88.819 4.424 -2.063 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.450 1.463 -2.647 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.354 2.433 -1.501 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.145 2.891 -0.276 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.381 1.729 -1.341 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.733 1.146 0.547 1.00 1.30 H new ATOM 0 HD3 ARG A 391 88.086 0.585 0.756 1.00 1.30 H new ATOM 0 HE ARG A 391 88.833 -0.184 -1.911 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.823 -0.710 1.408 1.00 2.15 H new ATOM 0 HH12 ARG A 391 90.443 -2.334 1.093 1.00 2.15 H new ATOM 0 HH21 ARG A 391 89.629 -2.258 -2.306 1.00 2.69 H new ATOM 0 HH22 ARG A 391 90.335 -3.201 -0.989 1.00 2.69 H new ATOM 1178 N MET A 392 91.076 4.682 -3.201 1.00 0.48 N ATOM 1179 CA MET A 392 92.328 4.861 -3.990 1.00 0.51 C ATOM 1180 C MET A 392 93.534 4.540 -3.098 1.00 0.48 C ATOM 1181 O MET A 392 93.563 4.897 -1.938 1.00 0.52 O ATOM 1182 CB MET A 392 92.337 6.332 -4.407 1.00 0.59 C ATOM 1183 CG MET A 392 91.138 6.612 -5.315 1.00 1.14 C ATOM 1184 SD MET A 392 91.221 8.318 -5.916 1.00 1.31 S ATOM 1185 CE MET A 392 89.639 8.327 -6.793 1.00 2.02 C ATOM 0 H MET A 392 91.060 5.151 -2.295 1.00 0.48 H new ATOM 0 HA MET A 392 92.378 4.205 -4.859 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.296 6.971 -3.525 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.265 6.568 -4.929 1.00 0.59 H new ATOM 0 HG2 MET A 392 91.135 5.919 -6.156 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.209 6.453 -4.768 1.00 1.14 H new ATOM 0 HE1 MET A 392 89.482 9.304 -7.250 1.00 2.02 H new ATOM 0 HE2 MET A 392 89.648 7.561 -7.568 1.00 2.02 H new ATOM 0 HE3 MET A 392 88.832 8.122 -6.090 1.00 2.02 H new ATOM 1195 N ILE A 393 94.539 3.890 -3.623 1.00 0.45 N ATOM 1196 CA ILE A 393 95.734 3.585 -2.782 1.00 0.45 C ATOM 1197 C ILE A 393 97.013 3.996 -3.516 1.00 0.50 C ATOM 1198 O ILE A 393 97.169 3.734 -4.691 1.00 0.60 O ATOM 1199 CB ILE A 393 95.694 2.072 -2.561 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.316 1.670 -2.029 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.765 1.682 -1.542 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.105 2.280 -0.641 1.00 1.68 C ATOM 0 H ILE A 393 94.585 3.560 -4.587 1.00 0.45 H new ATOM 0 HA ILE A 393 95.725 4.128 -1.837 1.00 0.45 H new ATOM 0 HB ILE A 393 95.882 1.560 -3.505 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.537 2.013 -2.710 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.238 0.584 -1.976 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.740 0.604 -1.382 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.747 1.970 -1.918 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.573 2.194 -0.599 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.124 1.993 -0.263 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.876 1.915 0.038 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.165 3.366 -0.708 1.00 1.68 H new ATOM 1214 N ARG A 394 97.960 4.561 -2.817 1.00 0.63 N ATOM 1215 CA ARG A 394 99.263 4.897 -3.466 1.00 0.72 C ATOM 1216 C ARG A 394 100.430 4.603 -2.516 1.00 0.60 C ATOM 1217 O ARG A 394 100.320 4.748 -1.317 1.00 0.54 O ATOM 1218 CB ARG A 394 99.180 6.392 -3.779 1.00 0.78 C ATOM 1219 CG ARG A 394 98.018 6.650 -4.741 1.00 1.27 C ATOM 1220 CD ARG A 394 98.313 5.988 -6.090 1.00 1.04 C ATOM 1221 NE ARG A 394 99.479 6.737 -6.638 1.00 1.47 N ATOM 1222 CZ ARG A 394 99.308 7.909 -7.190 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.116 8.436 -7.263 1.00 2.78 N ATOM 1224 NH2 ARG A 394 100.336 8.556 -7.670 1.00 2.09 N ATOM 0 H ARG A 394 97.890 4.804 -1.829 1.00 0.63 H new ATOM 0 HA ARG A 394 99.438 4.304 -4.364 1.00 0.72 H new ATOM 0 HB2 ARG A 394 99.037 6.959 -2.859 1.00 0.78 H new ATOM 0 HB3 ARG A 394 100.115 6.734 -4.222 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.092 6.253 -4.324 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.874 7.722 -4.874 1.00 1.27 H new ATOM 0 HD2 ARG A 394 98.545 4.930 -5.968 1.00 1.04 H new ATOM 0 HD3 ARG A 394 97.454 6.051 -6.758 1.00 1.04 H new ATOM 0 HE ARG A 394 100.414 6.333 -6.582 1.00 1.47 H new ATOM 0 HH11 ARG A 394 97.312 7.933 -6.888 1.00 2.78 H new ATOM 0 HH12 ARG A 394 97.989 9.351 -7.695 1.00 2.78 H new ATOM 0 HH21 ARG A 394 101.268 8.146 -7.613 1.00 2.09 H new ATOM 0 HH22 ARG A 394 100.206 9.471 -8.102 1.00 2.09 H new ATOM 1238 N LYS A 395 101.546 4.194 -3.054 1.00 0.63 N ATOM 1239 CA LYS A 395 102.736 3.883 -2.208 1.00 0.58 C ATOM 1240 C LYS A 395 104.013 4.278 -2.955 1.00 0.60 C ATOM 1241 O LYS A 395 104.101 4.132 -4.154 1.00 0.68 O ATOM 1242 CB LYS A 395 102.690 2.369 -2.008 1.00 0.72 C ATOM 1243 CG LYS A 395 103.795 1.935 -1.044 1.00 0.80 C ATOM 1244 CD LYS A 395 105.046 1.572 -1.842 1.00 1.11 C ATOM 1245 CE LYS A 395 104.868 0.189 -2.466 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.229 -0.403 -2.445 1.00 1.57 N ATOM 0 H LYS A 395 101.687 4.060 -4.055 1.00 0.63 H new ATOM 0 HA LYS A 395 102.729 4.421 -1.260 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.717 2.075 -1.615 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.812 1.863 -2.966 1.00 0.72 H new ATOM 0 HG2 LYS A 395 104.018 2.739 -0.342 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.464 1.080 -0.455 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.222 2.314 -2.621 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.920 1.579 -1.191 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.163 -0.416 -1.897 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.480 0.258 -3.482 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.248 -1.252 -3.046 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.915 0.291 -2.804 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.479 -0.664 -1.470 1.00 1.57 H new ATOM 1260 N GLY A 396 105.024 4.709 -2.257 1.00 0.56 N ATOM 1261 CA GLY A 396 106.311 5.029 -2.949 1.00 0.60 C ATOM 1262 C GLY A 396 107.264 5.752 -1.998 1.00 0.55 C ATOM 1263 O GLY A 396 107.295 5.485 -0.814 1.00 0.82 O ATOM 0 H GLY A 396 105.021 4.854 -1.247 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.775 4.111 -3.310 1.00 0.60 H new ATOM 0 HA3 GLY A 396 106.116 5.652 -3.822 1.00 0.60 H new ATOM 1267 N SER A 397 108.101 6.609 -2.522 1.00 0.50 N ATOM 1268 CA SER A 397 109.119 7.273 -1.660 1.00 0.60 C ATOM 1269 C SER A 397 108.465 8.311 -0.745 1.00 0.48 C ATOM 1270 O SER A 397 107.365 8.766 -0.984 1.00 0.61 O ATOM 1271 CB SER A 397 110.112 7.930 -2.622 1.00 0.91 C ATOM 1272 OG SER A 397 110.780 6.920 -3.366 1.00 1.17 O ATOM 0 H SER A 397 108.123 6.876 -3.506 1.00 0.50 H new ATOM 0 HA SER A 397 109.617 6.560 -1.003 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.589 8.609 -3.296 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.835 8.527 -2.066 1.00 0.91 H new ATOM 0 HG SER A 397 111.717 6.870 -3.082 1.00 1.17 H new ATOM 1278 N VAL A 398 109.103 8.626 0.351 1.00 0.53 N ATOM 1279 CA VAL A 398 108.483 9.561 1.328 1.00 0.47 C ATOM 1280 C VAL A 398 108.244 10.918 0.674 1.00 0.51 C ATOM 1281 O VAL A 398 107.139 11.416 0.653 1.00 0.51 O ATOM 1282 CB VAL A 398 109.500 9.686 2.457 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.015 10.730 3.464 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.646 8.333 3.153 1.00 0.51 C ATOM 0 H VAL A 398 110.025 8.276 0.610 1.00 0.53 H new ATOM 0 HA VAL A 398 107.518 9.204 1.687 1.00 0.47 H new ATOM 0 HB VAL A 398 110.464 9.995 2.052 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.741 10.821 4.272 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.905 11.693 2.965 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.053 10.421 3.873 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.372 8.416 3.962 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.682 8.028 3.561 1.00 0.51 H new ATOM 0 HG23 VAL A 398 109.988 7.589 2.434 1.00 0.51 H new ATOM 1294 N ASP A 399 109.229 11.447 0.007 1.00 0.55 N ATOM 1295 CA ASP A 399 108.991 12.681 -0.789 1.00 0.62 C ATOM 1296 C ASP A 399 107.914 12.398 -1.833 1.00 0.64 C ATOM 1297 O ASP A 399 107.059 13.216 -2.103 1.00 0.64 O ATOM 1298 CB ASP A 399 110.330 12.987 -1.462 1.00 0.71 C ATOM 1299 CG ASP A 399 110.263 14.363 -2.128 1.00 1.10 C ATOM 1300 OD1 ASP A 399 109.257 15.033 -1.961 1.00 1.59 O ATOM 1301 OD2 ASP A 399 111.219 14.723 -2.796 1.00 1.46 O ATOM 0 H ASP A 399 110.181 11.082 -0.022 1.00 0.55 H new ATOM 0 HA ASP A 399 108.651 13.520 -0.182 1.00 0.62 H new ATOM 0 HB2 ASP A 399 111.133 12.967 -0.725 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.559 12.223 -2.204 1.00 0.71 H new ATOM 1306 N ALA A 400 107.934 11.224 -2.397 1.00 0.70 N ATOM 1307 CA ALA A 400 106.902 10.859 -3.404 1.00 0.76 C ATOM 1308 C ALA A 400 105.497 10.927 -2.789 1.00 0.72 C ATOM 1309 O ALA A 400 104.599 11.533 -3.337 1.00 0.75 O ATOM 1310 CB ALA A 400 107.245 9.423 -3.805 1.00 0.85 C ATOM 0 H ALA A 400 108.624 10.498 -2.203 1.00 0.70 H new ATOM 0 HA ALA A 400 106.899 11.538 -4.257 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.530 9.072 -4.549 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.250 9.393 -4.225 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.200 8.779 -2.927 1.00 0.85 H new ATOM 1316 N ILE A 401 105.279 10.264 -1.684 1.00 0.67 N ATOM 1317 CA ILE A 401 103.908 10.249 -1.097 1.00 0.66 C ATOM 1318 C ILE A 401 103.505 11.637 -0.594 1.00 0.59 C ATOM 1319 O ILE A 401 102.372 12.046 -0.732 1.00 0.64 O ATOM 1320 CB ILE A 401 103.981 9.252 0.060 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.412 7.882 -0.470 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.606 9.133 0.719 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.595 7.530 -1.716 1.00 0.62 C ATOM 0 H ILE A 401 105.983 9.737 -1.167 1.00 0.67 H new ATOM 0 HA ILE A 401 103.157 9.966 -1.835 1.00 0.66 H new ATOM 0 HB ILE A 401 104.707 9.602 0.794 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.475 7.893 -0.711 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.267 7.122 0.298 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.658 8.422 1.544 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.299 10.108 1.099 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.880 8.784 -0.015 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.905 6.554 -2.090 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.536 7.501 -1.460 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.762 8.284 -2.486 1.00 0.62 H new ATOM 1335 N ARG A 402 104.415 12.372 -0.023 1.00 0.50 N ATOM 1336 CA ARG A 402 104.059 13.733 0.470 1.00 0.47 C ATOM 1337 C ARG A 402 103.553 14.595 -0.691 1.00 0.54 C ATOM 1338 O ARG A 402 102.574 15.302 -0.568 1.00 0.62 O ATOM 1339 CB ARG A 402 105.355 14.303 1.045 1.00 0.44 C ATOM 1340 CG ARG A 402 105.065 15.644 1.723 1.00 1.17 C ATOM 1341 CD ARG A 402 106.371 16.250 2.241 1.00 1.24 C ATOM 1342 NE ARG A 402 106.901 15.248 3.207 1.00 1.71 N ATOM 1343 CZ ARG A 402 108.125 15.352 3.655 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.890 16.334 3.261 1.00 2.62 N ATOM 1345 NH2 ARG A 402 108.583 14.470 4.502 1.00 2.61 N ATOM 0 H ARG A 402 105.385 12.093 0.124 1.00 0.50 H new ATOM 0 HA ARG A 402 103.266 13.709 1.217 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.785 13.605 1.764 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.090 14.436 0.251 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.591 16.325 1.016 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.366 15.503 2.547 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.075 16.426 1.428 1.00 1.24 H new ATOM 0 HD3 ARG A 402 106.196 17.211 2.725 1.00 1.24 H new ATOM 0 HE ARG A 402 106.308 14.479 3.520 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.534 17.025 2.601 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.844 16.410 3.614 1.00 2.62 H new ATOM 0 HH21 ARG A 402 107.986 13.703 4.812 1.00 2.61 H new ATOM 0 HH22 ARG A 402 109.537 14.548 4.853 1.00 2.61 H new ATOM 1359 N ARG A 403 104.184 14.510 -1.830 1.00 0.54 N ATOM 1360 CA ARG A 403 103.706 15.293 -3.005 1.00 0.62 C ATOM 1361 C ARG A 403 102.340 14.787 -3.480 1.00 0.72 C ATOM 1362 O ARG A 403 101.472 15.559 -3.832 1.00 0.82 O ATOM 1363 CB ARG A 403 104.763 15.083 -4.077 1.00 0.63 C ATOM 1364 CG ARG A 403 106.060 15.736 -3.615 1.00 0.83 C ATOM 1365 CD ARG A 403 106.963 15.983 -4.817 1.00 0.96 C ATOM 1366 NE ARG A 403 107.231 14.627 -5.389 1.00 1.38 N ATOM 1367 CZ ARG A 403 106.528 14.151 -6.395 1.00 2.01 C ATOM 1368 NH1 ARG A 403 105.561 14.844 -6.942 1.00 2.48 N ATOM 1369 NH2 ARG A 403 106.800 12.962 -6.857 1.00 2.46 N ATOM 0 H ARG A 403 105.008 13.933 -1.998 1.00 0.54 H new ATOM 0 HA ARG A 403 103.574 16.348 -2.764 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.917 14.018 -4.253 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.436 15.518 -5.021 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.845 16.677 -3.109 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.565 15.094 -2.893 1.00 0.83 H new ATOM 0 HD2 ARG A 403 106.478 16.630 -5.548 1.00 0.96 H new ATOM 0 HD3 ARG A 403 107.889 16.475 -4.520 1.00 0.96 H new ATOM 0 HE ARG A 403 107.977 14.057 -4.990 1.00 1.38 H new ATOM 0 HH11 ARG A 403 105.338 15.775 -6.589 1.00 2.48 H new ATOM 0 HH12 ARG A 403 105.031 14.453 -7.721 1.00 2.48 H new ATOM 0 HH21 ARG A 403 107.550 12.412 -6.439 1.00 2.46 H new ATOM 0 HH22 ARG A 403 106.262 12.582 -7.636 1.00 2.46 H new ATOM 1383 N HIS A 404 102.119 13.502 -3.438 1.00 0.74 N ATOM 1384 CA HIS A 404 100.784 12.969 -3.832 1.00 0.86 C ATOM 1385 C HIS A 404 99.696 13.474 -2.877 1.00 0.84 C ATOM 1386 O HIS A 404 98.622 13.864 -3.292 1.00 0.94 O ATOM 1387 CB HIS A 404 100.922 11.450 -3.743 1.00 0.92 C ATOM 1388 CG HIS A 404 99.625 10.804 -4.145 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.672 10.415 -3.216 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.106 10.474 -5.373 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.641 9.880 -3.892 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.853 9.890 -5.211 1.00 2.43 N ATOM 0 H HIS A 404 102.801 12.801 -3.149 1.00 0.74 H new ATOM 0 HA HIS A 404 100.492 13.294 -4.831 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.727 11.109 -4.393 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.187 11.157 -2.727 1.00 0.92 H new ATOM 0 HD1 HIS A 404 98.741 10.516 -2.203 1.00 1.39 H new ATOM 0 HD2 HIS A 404 99.596 10.642 -6.321 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.749 9.489 -3.425 1.00 1.88 H new ATOM 1400 N VAL A 405 99.980 13.519 -1.606 1.00 0.76 N ATOM 1401 CA VAL A 405 98.974 14.047 -0.641 1.00 0.79 C ATOM 1402 C VAL A 405 98.709 15.532 -0.903 1.00 0.85 C ATOM 1403 O VAL A 405 97.581 15.978 -0.889 1.00 0.94 O ATOM 1404 CB VAL A 405 99.602 13.844 0.738 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.698 14.459 1.807 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.766 12.347 1.009 1.00 0.76 C ATOM 0 H VAL A 405 100.862 13.214 -1.194 1.00 0.76 H new ATOM 0 HA VAL A 405 98.014 13.539 -0.729 1.00 0.79 H new ATOM 0 HB VAL A 405 100.578 14.328 0.766 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.146 14.314 2.790 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.581 15.526 1.615 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.721 13.976 1.779 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.214 12.202 1.992 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.790 11.863 0.980 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.411 11.908 0.248 1.00 0.76 H new ATOM 1416 N GLU A 406 99.733 16.312 -1.103 1.00 0.84 N ATOM 1417 CA GLU A 406 99.520 17.774 -1.313 1.00 0.95 C ATOM 1418 C GLU A 406 98.687 18.026 -2.576 1.00 1.05 C ATOM 1419 O GLU A 406 97.879 18.933 -2.622 1.00 1.19 O ATOM 1420 CB GLU A 406 100.923 18.360 -1.471 1.00 0.91 C ATOM 1421 CG GLU A 406 101.693 18.202 -0.157 1.00 0.88 C ATOM 1422 CD GLU A 406 103.075 18.843 -0.296 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.428 19.209 -1.404 1.00 1.86 O ATOM 1424 OE2 GLU A 406 103.758 18.955 0.709 1.00 2.16 O ATOM 0 H GLU A 406 100.705 16.004 -1.131 1.00 0.84 H new ATOM 0 HA GLU A 406 98.975 18.229 -0.486 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.452 17.853 -2.278 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.860 19.413 -1.744 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.143 18.672 0.658 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.794 17.146 0.093 1.00 0.88 H new ATOM 1431 N ALA A 407 98.867 17.231 -3.596 1.00 1.02 N ATOM 1432 CA ALA A 407 98.071 17.434 -4.843 1.00 1.17 C ATOM 1433 C ALA A 407 96.598 17.147 -4.565 1.00 1.32 C ATOM 1434 O ALA A 407 95.727 17.929 -4.892 1.00 1.53 O ATOM 1435 CB ALA A 407 98.637 16.427 -5.844 1.00 1.12 C ATOM 0 H ALA A 407 99.527 16.454 -3.621 1.00 1.02 H new ATOM 0 HA ALA A 407 98.135 18.455 -5.219 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.102 16.514 -6.790 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.696 16.630 -6.006 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.518 15.417 -5.451 1.00 1.12 H new ATOM 1441 N ASN A 408 96.333 16.112 -3.820 1.00 1.23 N ATOM 1442 CA ASN A 408 94.947 15.862 -3.349 1.00 1.37 C ATOM 1443 C ASN A 408 94.539 16.965 -2.378 1.00 1.44 C ATOM 1444 O ASN A 408 93.372 17.221 -2.156 1.00 1.60 O ATOM 1445 CB ASN A 408 95.024 14.515 -2.637 1.00 1.27 C ATOM 1446 CG ASN A 408 95.263 13.406 -3.665 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.059 13.603 -4.846 1.00 2.75 O ATOM 1448 ND2 ASN A 408 95.689 12.240 -3.262 1.00 2.02 N ATOM 0 H ASN A 408 97.023 15.425 -3.516 1.00 1.23 H new ATOM 0 HA ASN A 408 94.213 15.853 -4.155 1.00 1.37 H new ATOM 0 HB2 ASN A 408 95.830 14.525 -1.903 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.099 14.327 -2.092 1.00 1.27 H new ATOM 0 HD21 ASN A 408 95.851 11.494 -3.939 1.00 2.02 H new ATOM 0 HD22 ASN A 408 95.860 12.075 -2.270 1.00 2.02 H new ATOM 1455 N GLY A 409 95.503 17.555 -1.732 1.00 1.37 N ATOM 1456 CA GLY A 409 95.202 18.570 -0.694 1.00 1.51 C ATOM 1457 C GLY A 409 95.216 17.905 0.683 1.00 1.69 C ATOM 1458 O GLY A 409 94.649 18.405 1.633 1.00 2.28 O ATOM 0 H GLY A 409 96.496 17.374 -1.882 1.00 1.37 H new ATOM 0 HA2 GLY A 409 95.938 19.373 -0.730 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.228 19.022 -0.882 1.00 1.51 H new ATOM 1462 N GLY A 410 95.899 16.797 0.803 1.00 1.39 N ATOM 1463 CA GLY A 410 95.996 16.116 2.126 1.00 1.72 C ATOM 1464 C GLY A 410 97.239 16.617 2.865 1.00 1.26 C ATOM 1465 O GLY A 410 97.895 17.544 2.434 1.00 1.69 O ATOM 0 H GLY A 410 96.394 16.334 0.041 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.102 16.316 2.717 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.052 15.036 1.988 1.00 1.72 H new ATOM 1469 N HIS A 411 97.588 15.991 3.956 1.00 0.88 N ATOM 1470 CA HIS A 411 98.814 16.414 4.695 1.00 1.32 C ATOM 1471 C HIS A 411 99.570 15.189 5.219 1.00 1.27 C ATOM 1472 O HIS A 411 98.984 14.166 5.517 1.00 1.52 O ATOM 1473 CB HIS A 411 98.304 17.268 5.855 1.00 1.83 C ATOM 1474 CG HIS A 411 97.641 16.385 6.876 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.352 15.467 7.634 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.333 16.268 7.277 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.477 14.844 8.444 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.231 15.295 8.267 1.00 4.13 N ATOM 0 H HIS A 411 97.080 15.208 4.367 1.00 0.88 H new ATOM 0 HA HIS A 411 99.508 16.964 4.059 1.00 1.32 H new ATOM 0 HB2 HIS A 411 99.131 17.811 6.311 1.00 1.83 H new ATOM 0 HB3 HIS A 411 97.597 18.012 5.489 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.508 16.844 6.884 1.00 3.34 H new ATOM 0 HE1 HIS A 411 97.748 14.074 9.151 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.387 14.991 8.753 1.00 4.13 H new ATOM 1486 N PHE A 412 100.864 15.293 5.357 1.00 1.04 N ATOM 1487 CA PHE A 412 101.655 14.147 5.892 1.00 1.06 C ATOM 1488 C PHE A 412 101.824 14.288 7.410 1.00 1.03 C ATOM 1489 O PHE A 412 102.505 15.179 7.877 1.00 1.05 O ATOM 1490 CB PHE A 412 103.009 14.243 5.187 1.00 1.03 C ATOM 1491 CG PHE A 412 103.585 12.859 5.006 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.232 12.223 6.075 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.474 12.212 3.768 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.768 10.939 5.905 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.010 10.928 3.598 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.656 10.290 4.667 1.00 3.31 C ATOM 0 H PHE A 412 101.408 16.123 5.122 1.00 1.04 H new ATOM 0 HA PHE A 412 101.171 13.187 5.715 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.892 14.729 4.218 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.692 14.859 5.772 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.317 12.722 7.029 1.00 1.90 H new ATOM 0 HD2 PHE A 412 102.976 12.703 2.945 1.00 1.73 H new ATOM 0 HE1 PHE A 412 105.267 10.449 6.728 1.00 2.91 H new ATOM 0 HE2 PHE A 412 103.926 10.430 2.644 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.067 9.300 4.537 1.00 3.31 H new ATOM 1506 N PRO A 413 101.152 13.429 8.130 1.00 1.03 N ATOM 1507 CA PRO A 413 101.176 13.491 9.614 1.00 1.06 C ATOM 1508 C PRO A 413 102.606 13.329 10.141 1.00 0.96 C ATOM 1509 O PRO A 413 103.379 12.540 9.634 1.00 0.88 O ATOM 1510 CB PRO A 413 100.303 12.314 10.052 1.00 1.16 C ATOM 1511 CG PRO A 413 99.519 11.915 8.841 1.00 1.23 C ATOM 1512 CD PRO A 413 100.315 12.335 7.635 1.00 1.05 C ATOM 0 HA PRO A 413 100.816 14.445 9.998 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.914 11.487 10.412 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.641 12.601 10.869 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.347 10.839 8.832 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.540 12.395 8.842 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.918 11.514 7.249 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.667 12.664 6.823 1.00 1.05 H new ATOM 1520 N THR A 414 102.954 14.058 11.167 1.00 1.01 N ATOM 1521 CA THR A 414 104.327 13.935 11.741 1.00 0.97 C ATOM 1522 C THR A 414 104.588 12.499 12.193 1.00 0.92 C ATOM 1523 O THR A 414 105.655 11.964 11.992 1.00 0.84 O ATOM 1524 CB THR A 414 104.342 14.891 12.939 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.685 15.137 13.327 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.576 14.268 14.110 1.00 1.75 C ATOM 0 H THR A 414 102.348 14.733 11.633 1.00 1.01 H new ATOM 0 HA THR A 414 105.102 14.180 11.014 1.00 0.97 H new ATOM 0 HB THR A 414 103.864 15.830 12.658 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.698 15.749 14.092 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.590 14.952 14.959 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.544 14.081 13.812 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.048 13.327 14.394 1.00 1.75 H new ATOM 1534 N ASP A 415 103.636 11.883 12.834 1.00 0.99 N ATOM 1535 CA ASP A 415 103.864 10.497 13.329 1.00 0.97 C ATOM 1536 C ASP A 415 104.307 9.594 12.176 1.00 0.83 C ATOM 1537 O ASP A 415 105.196 8.782 12.320 1.00 0.84 O ATOM 1538 CB ASP A 415 102.511 10.042 13.875 1.00 1.08 C ATOM 1539 CG ASP A 415 102.685 8.733 14.646 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.816 8.304 14.798 1.00 1.80 O ATOM 1541 OD2 ASP A 415 101.683 8.181 15.070 1.00 1.87 O ATOM 0 H ASP A 415 102.716 12.275 13.036 1.00 0.99 H new ATOM 0 HA ASP A 415 104.645 10.452 14.089 1.00 0.97 H new ATOM 0 HB2 ASP A 415 102.094 10.808 14.529 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.805 9.903 13.056 1.00 1.08 H new ATOM 1546 N VAL A 416 103.700 9.729 11.030 1.00 0.71 N ATOM 1547 CA VAL A 416 104.095 8.874 9.874 1.00 0.60 C ATOM 1548 C VAL A 416 105.497 9.237 9.381 1.00 0.51 C ATOM 1549 O VAL A 416 106.303 8.378 9.093 1.00 0.46 O ATOM 1550 CB VAL A 416 103.052 9.168 8.799 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.503 8.562 7.468 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.712 8.554 9.208 1.00 0.71 C ATOM 0 H VAL A 416 102.949 10.393 10.843 1.00 0.71 H new ATOM 0 HA VAL A 416 104.128 7.817 10.139 1.00 0.60 H new ATOM 0 HB VAL A 416 102.941 10.247 8.688 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.757 8.773 6.701 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.458 8.998 7.175 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.615 7.483 7.579 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.967 8.763 8.441 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.825 7.476 9.319 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.388 8.985 10.156 1.00 0.71 H new ATOM 1562 N ASP A 417 105.819 10.499 9.345 1.00 0.53 N ATOM 1563 CA ASP A 417 107.198 10.898 8.941 1.00 0.53 C ATOM 1564 C ASP A 417 108.218 10.338 9.936 1.00 0.58 C ATOM 1565 O ASP A 417 109.255 9.829 9.561 1.00 0.60 O ATOM 1566 CB ASP A 417 107.190 12.426 8.971 1.00 0.61 C ATOM 1567 CG ASP A 417 108.489 12.957 8.362 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.259 12.151 7.864 1.00 1.81 O ATOM 1569 OD2 ASP A 417 108.692 14.159 8.404 1.00 1.15 O ATOM 0 H ASP A 417 105.192 11.269 9.576 1.00 0.53 H new ATOM 0 HA ASP A 417 107.474 10.515 7.958 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.333 12.806 8.415 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.086 12.779 9.997 1.00 0.61 H new ATOM 1574 N GLN A 418 107.887 10.348 11.194 1.00 0.62 N ATOM 1575 CA GLN A 418 108.783 9.731 12.212 1.00 0.68 C ATOM 1576 C GLN A 418 108.901 8.219 11.990 1.00 0.69 C ATOM 1577 O GLN A 418 109.974 7.662 12.074 1.00 0.81 O ATOM 1578 CB GLN A 418 108.112 10.047 13.550 1.00 0.73 C ATOM 1579 CG GLN A 418 108.255 11.540 13.849 1.00 1.31 C ATOM 1580 CD GLN A 418 109.738 11.911 13.900 1.00 1.86 C ATOM 1581 OE1 GLN A 418 110.517 11.261 14.568 1.00 1.96 O ATOM 1582 NE2 GLN A 418 110.165 12.939 13.219 1.00 2.60 N ATOM 0 H GLN A 418 107.030 10.759 11.565 1.00 0.62 H new ATOM 0 HA GLN A 418 109.801 10.118 12.163 1.00 0.68 H new ATOM 0 HB2 GLN A 418 107.058 9.771 13.515 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.569 9.460 14.346 1.00 0.73 H new ATOM 0 HG2 GLN A 418 107.749 12.125 13.081 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.777 11.779 14.799 1.00 1.31 H new ATOM 0 HE21 GLN A 418 109.512 13.486 12.658 1.00 2.60 H new ATOM 0 HE22 GLN A 418 111.152 13.196 13.248 1.00 2.60 H new ATOM 1591 N LYS A 419 107.827 7.550 11.680 1.00 0.61 N ATOM 1592 CA LYS A 419 107.924 6.081 11.433 1.00 0.63 C ATOM 1593 C LYS A 419 108.830 5.790 10.231 1.00 0.62 C ATOM 1594 O LYS A 419 109.613 4.867 10.248 1.00 0.71 O ATOM 1595 CB LYS A 419 106.491 5.628 11.145 1.00 0.57 C ATOM 1596 CG LYS A 419 105.655 5.734 12.422 1.00 0.81 C ATOM 1597 CD LYS A 419 104.247 5.198 12.156 1.00 0.93 C ATOM 1598 CE LYS A 419 103.378 5.407 13.398 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.508 4.142 14.174 1.00 2.49 N ATOM 0 H LYS A 419 106.893 7.950 11.587 1.00 0.61 H new ATOM 0 HA LYS A 419 108.357 5.555 12.284 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.054 6.245 10.360 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.489 4.601 10.781 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.126 5.167 13.225 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.604 6.772 12.751 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.807 5.711 11.301 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.291 4.138 11.904 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.719 6.264 13.979 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.340 5.599 13.126 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.372 4.340 15.186 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.788 3.463 13.854 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.455 3.739 14.025 1.00 2.49 H new ATOM 1613 N VAL A 420 108.742 6.578 9.196 1.00 0.56 N ATOM 1614 CA VAL A 420 109.603 6.348 7.995 1.00 0.62 C ATOM 1615 C VAL A 420 111.072 6.598 8.334 1.00 0.71 C ATOM 1616 O VAL A 420 111.957 5.896 7.889 1.00 0.79 O ATOM 1617 CB VAL A 420 109.119 7.374 6.974 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.041 7.357 5.756 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.694 7.031 6.542 1.00 0.59 C ATOM 0 H VAL A 420 108.109 7.375 9.127 1.00 0.56 H new ATOM 0 HA VAL A 420 109.532 5.324 7.627 1.00 0.62 H new ATOM 0 HB VAL A 420 109.132 8.367 7.424 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.695 8.090 5.027 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.057 7.604 6.065 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.030 6.365 5.305 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.348 7.764 5.813 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.679 6.038 6.093 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.037 7.046 7.411 1.00 0.59 H new ATOM 1629 N ASP A 421 111.330 7.600 9.114 1.00 0.72 N ATOM 1630 CA ASP A 421 112.733 7.921 9.494 1.00 0.84 C ATOM 1631 C ASP A 421 113.311 6.817 10.380 1.00 0.91 C ATOM 1632 O ASP A 421 114.412 6.347 10.167 1.00 1.00 O ATOM 1633 CB ASP A 421 112.625 9.232 10.264 1.00 0.88 C ATOM 1634 CG ASP A 421 112.331 10.374 9.291 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.385 10.137 8.095 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.056 11.468 9.757 1.00 1.25 O ATOM 0 H ASP A 421 110.624 8.220 9.511 1.00 0.72 H new ATOM 0 HA ASP A 421 113.394 8.002 8.631 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.833 9.163 11.010 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.553 9.428 10.801 1.00 0.88 H new ATOM 1641 N GLN A 422 112.549 6.352 11.327 1.00 0.89 N ATOM 1642 CA GLN A 422 113.017 5.224 12.177 1.00 0.98 C ATOM 1643 C GLN A 422 113.172 3.964 11.325 1.00 0.98 C ATOM 1644 O GLN A 422 114.103 3.203 11.489 1.00 1.07 O ATOM 1645 CB GLN A 422 111.921 5.045 13.229 1.00 0.99 C ATOM 1646 CG GLN A 422 111.784 6.333 14.047 1.00 1.32 C ATOM 1647 CD GLN A 422 110.682 6.156 15.094 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.872 5.256 14.994 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.617 6.983 16.102 1.00 2.33 N ATOM 0 H GLN A 422 111.619 6.705 11.550 1.00 0.89 H new ATOM 0 HA GLN A 422 113.987 5.415 12.637 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.974 4.806 12.746 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.164 4.209 13.885 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.730 6.569 14.535 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.546 7.170 13.391 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.297 7.739 16.186 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.886 6.873 16.805 1.00 2.33 H new ATOM 1658 N VAL A 423 112.352 3.816 10.325 1.00 0.91 N ATOM 1659 CA VAL A 423 112.547 2.701 9.363 1.00 0.94 C ATOM 1660 C VAL A 423 113.904 2.850 8.670 1.00 0.96 C ATOM 1661 O VAL A 423 114.648 1.899 8.527 1.00 1.00 O ATOM 1662 CB VAL A 423 111.407 2.869 8.365 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.562 1.865 7.225 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.070 2.641 9.070 1.00 0.99 C ATOM 0 H VAL A 423 111.554 4.421 10.133 1.00 0.91 H new ATOM 0 HA VAL A 423 112.540 1.718 9.835 1.00 0.94 H new ATOM 0 HB VAL A 423 111.435 3.880 7.958 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.744 1.991 6.516 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.512 2.034 6.718 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.541 0.852 7.627 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.256 2.762 8.355 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.044 1.633 9.483 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.955 3.366 9.876 1.00 0.99 H new ATOM 1674 N ALA A 424 114.250 4.046 8.279 1.00 0.98 N ATOM 1675 CA ALA A 424 115.579 4.272 7.643 1.00 1.07 C ATOM 1676 C ALA A 424 116.697 4.126 8.678 1.00 1.17 C ATOM 1677 O ALA A 424 117.656 3.408 8.476 1.00 1.24 O ATOM 1678 CB ALA A 424 115.526 5.706 7.128 1.00 1.09 C ATOM 0 H ALA A 424 113.668 4.878 8.373 1.00 0.98 H new ATOM 0 HA ALA A 424 115.782 3.553 6.850 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.470 5.954 6.643 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.713 5.805 6.409 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.357 6.386 7.963 1.00 1.09 H new ATOM 1684 N ARG A 425 116.575 4.800 9.789 1.00 1.23 N ATOM 1685 CA ARG A 425 117.624 4.697 10.843 1.00 1.39 C ATOM 1686 C ARG A 425 117.841 3.232 11.221 1.00 1.38 C ATOM 1687 O ARG A 425 118.886 2.856 11.713 1.00 1.53 O ATOM 1688 CB ARG A 425 117.075 5.486 12.032 1.00 1.57 C ATOM 1689 CG ARG A 425 116.967 6.966 11.659 1.00 2.17 C ATOM 1690 CD ARG A 425 116.505 7.768 12.877 1.00 2.43 C ATOM 1691 NE ARG A 425 116.228 9.135 12.355 1.00 2.68 N ATOM 1692 CZ ARG A 425 115.975 10.117 13.180 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.963 9.906 14.469 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.735 11.312 12.715 1.00 3.73 N ATOM 0 H ARG A 425 115.794 5.417 10.012 1.00 1.23 H new ATOM 0 HA ARG A 425 118.586 5.087 10.511 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.096 5.100 12.317 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.729 5.365 12.895 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.932 7.336 11.312 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.262 7.094 10.837 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.614 7.328 13.324 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.273 7.789 13.650 1.00 2.43 H new ATOM 0 HE ARG A 425 116.236 9.306 11.349 1.00 2.68 H new ATOM 0 HH11 ARG A 425 116.151 8.973 14.835 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.765 10.675 15.110 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.745 11.479 11.709 1.00 3.73 H new ATOM 0 HH22 ARG A 425 115.537 12.079 13.358 1.00 3.73 H new ATOM 1708 N GLN A 426 116.875 2.397 10.960 1.00 1.26 N ATOM 1709 CA GLN A 426 117.045 0.945 11.271 1.00 1.33 C ATOM 1710 C GLN A 426 117.648 0.205 10.074 1.00 1.26 C ATOM 1711 O GLN A 426 117.853 -0.992 10.112 1.00 1.33 O ATOM 1712 CB GLN A 426 115.640 0.434 11.577 1.00 1.34 C ATOM 1713 CG GLN A 426 115.163 1.047 12.893 1.00 1.95 C ATOM 1714 CD GLN A 426 113.697 0.679 13.131 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.006 0.270 12.218 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.190 0.806 14.326 1.00 2.92 N ATOM 0 H GLN A 426 115.978 2.652 10.547 1.00 1.26 H new ATOM 0 HA GLN A 426 117.724 0.782 12.108 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.958 0.700 10.769 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.642 -0.654 11.647 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.777 0.686 13.718 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.276 2.131 12.863 1.00 1.95 H new ATOM 0 HE21 GLN A 426 113.770 1.149 15.092 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.214 0.562 14.494 1.00 2.92 H new ATOM 1725 N GLY A 427 118.018 0.921 9.050 1.00 1.16 N ATOM 1726 CA GLY A 427 118.708 0.270 7.898 1.00 1.14 C ATOM 1727 C GLY A 427 117.674 -0.237 6.892 1.00 1.07 C ATOM 1728 O GLY A 427 117.999 -0.928 5.947 1.00 1.11 O ATOM 0 H GLY A 427 117.874 1.927 8.959 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.379 0.981 7.416 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.322 -0.559 8.251 1.00 1.14 H new ATOM 1732 N ALA A 428 116.436 0.130 7.068 1.00 1.07 N ATOM 1733 CA ALA A 428 115.383 -0.295 6.102 1.00 1.00 C ATOM 1734 C ALA A 428 115.007 0.874 5.194 1.00 0.94 C ATOM 1735 O ALA A 428 115.059 2.020 5.593 1.00 0.97 O ATOM 1736 CB ALA A 428 114.193 -0.702 6.970 1.00 1.04 C ATOM 0 H ALA A 428 116.106 0.708 7.841 1.00 1.07 H new ATOM 0 HA ALA A 428 115.714 -1.109 5.457 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.372 -1.029 6.332 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.487 -1.518 7.630 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.870 0.150 7.568 1.00 1.04 H new ATOM 1742 N THR A 429 114.512 0.588 4.024 1.00 0.92 N ATOM 1743 CA THR A 429 113.997 1.682 3.154 1.00 0.88 C ATOM 1744 C THR A 429 112.501 1.842 3.395 1.00 0.65 C ATOM 1745 O THR A 429 111.727 0.966 3.067 1.00 0.62 O ATOM 1746 CB THR A 429 114.256 1.222 1.716 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.631 1.398 1.405 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.400 2.048 0.748 1.00 1.00 C ATOM 0 H THR A 429 114.441 -0.351 3.633 1.00 0.92 H new ATOM 0 HA THR A 429 114.478 2.639 3.356 1.00 0.88 H new ATOM 0 HB THR A 429 113.993 0.169 1.619 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.769 2.291 1.027 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.586 1.719 -0.274 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.345 1.911 0.987 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.659 3.103 0.842 1.00 1.00 H new ATOM 1756 N PRO A 430 112.152 2.913 4.046 1.00 0.70 N ATOM 1757 CA PRO A 430 110.745 3.135 4.429 1.00 0.55 C ATOM 1758 C PRO A 430 109.934 3.582 3.213 1.00 0.54 C ATOM 1759 O PRO A 430 109.955 4.740 2.842 1.00 0.68 O ATOM 1760 CB PRO A 430 110.812 4.251 5.477 1.00 0.81 C ATOM 1761 CG PRO A 430 112.268 4.584 5.657 1.00 1.20 C ATOM 1762 CD PRO A 430 113.015 4.003 4.487 1.00 1.04 C ATOM 0 HA PRO A 430 110.263 2.236 4.813 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.252 5.126 5.147 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.370 3.926 6.419 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.411 5.664 5.705 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.642 4.171 6.594 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.165 4.741 3.699 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.001 3.642 4.778 1.00 1.04 H new ATOM 1770 N LEU A 431 109.051 2.747 2.745 1.00 0.47 N ATOM 1771 CA LEU A 431 108.059 3.218 1.747 1.00 0.56 C ATOM 1772 C LEU A 431 106.827 3.726 2.479 1.00 0.54 C ATOM 1773 O LEU A 431 106.420 3.173 3.473 1.00 0.59 O ATOM 1774 CB LEU A 431 107.692 1.998 0.910 1.00 0.59 C ATOM 1775 CG LEU A 431 108.930 1.469 0.205 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.547 0.245 -0.627 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.490 2.556 -0.712 1.00 1.40 C ATOM 0 H LEU A 431 108.975 1.765 3.010 1.00 0.47 H new ATOM 0 HA LEU A 431 108.452 4.023 1.126 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.265 1.223 1.547 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.930 2.264 0.177 1.00 0.59 H new ATOM 0 HG LEU A 431 109.685 1.190 0.940 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.431 -0.140 -1.136 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.140 -0.526 0.027 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.797 0.527 -1.366 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.379 2.181 -1.220 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.738 2.831 -1.451 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.753 3.432 -0.119 1.00 1.40 H new ATOM 1789 N VAL A 432 106.229 4.769 2.008 1.00 0.49 N ATOM 1790 CA VAL A 432 105.025 5.288 2.708 1.00 0.48 C ATOM 1791 C VAL A 432 103.771 4.972 1.895 1.00 0.48 C ATOM 1792 O VAL A 432 103.760 5.085 0.685 1.00 0.52 O ATOM 1793 CB VAL A 432 105.238 6.794 2.811 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.062 7.428 3.555 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.532 7.073 3.576 1.00 0.51 C ATOM 0 H VAL A 432 106.513 5.286 1.176 1.00 0.49 H new ATOM 0 HA VAL A 432 104.890 4.835 3.690 1.00 0.48 H new ATOM 0 HB VAL A 432 105.306 7.220 1.810 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.216 8.505 3.628 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.138 7.229 3.012 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.993 7.003 4.556 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.686 8.150 3.650 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.462 6.646 4.577 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.372 6.622 3.047 1.00 0.51 H new ATOM 1805 N VAL A 433 102.721 4.568 2.554 1.00 0.44 N ATOM 1806 CA VAL A 433 101.462 4.234 1.834 1.00 0.45 C ATOM 1807 C VAL A 433 100.339 5.147 2.319 1.00 0.37 C ATOM 1808 O VAL A 433 100.124 5.296 3.508 1.00 0.37 O ATOM 1809 CB VAL A 433 101.163 2.784 2.210 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.000 2.266 1.361 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.404 1.925 1.956 1.00 1.08 C ATOM 0 H VAL A 433 102.681 4.454 3.567 1.00 0.44 H new ATOM 0 HA VAL A 433 101.550 4.364 0.755 1.00 0.45 H new ATOM 0 HB VAL A 433 100.894 2.730 3.265 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.786 1.231 1.629 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.116 2.878 1.543 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.268 2.320 0.306 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.191 0.890 2.224 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.674 1.978 0.901 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.232 2.294 2.561 1.00 1.08 H new ATOM 1821 N VAL A 434 99.568 5.683 1.418 1.00 0.43 N ATOM 1822 CA VAL A 434 98.401 6.499 1.844 1.00 0.43 C ATOM 1823 C VAL A 434 97.136 6.054 1.119 1.00 0.48 C ATOM 1824 O VAL A 434 97.172 5.611 -0.011 1.00 0.90 O ATOM 1825 CB VAL A 434 98.738 7.947 1.476 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.189 8.248 1.849 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.538 8.165 -0.027 1.00 0.49 C ATOM 0 H VAL A 434 99.694 5.592 0.410 1.00 0.43 H new ATOM 0 HA VAL A 434 98.214 6.388 2.912 1.00 0.43 H new ATOM 0 HB VAL A 434 98.076 8.617 2.025 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.426 9.279 1.586 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.326 8.106 2.921 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.852 7.574 1.306 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.780 9.197 -0.280 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.192 7.492 -0.582 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.500 7.961 -0.289 1.00 0.49 H new ATOM 1837 N GLU A 435 96.017 6.288 1.726 1.00 0.61 N ATOM 1838 CA GLU A 435 94.726 6.019 1.043 1.00 0.60 C ATOM 1839 C GLU A 435 94.182 7.324 0.480 1.00 0.62 C ATOM 1840 O GLU A 435 94.091 8.314 1.180 1.00 0.67 O ATOM 1841 CB GLU A 435 93.800 5.483 2.133 1.00 0.70 C ATOM 1842 CG GLU A 435 93.616 3.978 1.939 1.00 0.76 C ATOM 1843 CD GLU A 435 92.599 3.451 2.953 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.195 4.218 3.811 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.244 2.288 2.856 1.00 1.34 O ATOM 0 H GLU A 435 95.937 6.657 2.674 1.00 0.61 H new ATOM 0 HA GLU A 435 94.823 5.313 0.218 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.221 5.686 3.118 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.835 5.988 2.089 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.274 3.771 0.925 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.570 3.465 2.065 1.00 0.76 H new ATOM 1852 N GLY A 436 93.958 7.390 -0.796 1.00 0.61 N ATOM 1853 CA GLY A 436 93.587 8.702 -1.384 1.00 0.64 C ATOM 1854 C GLY A 436 94.679 9.717 -1.035 1.00 0.68 C ATOM 1855 O GLY A 436 95.772 9.676 -1.565 1.00 1.42 O ATOM 0 H GLY A 436 94.014 6.609 -1.449 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.481 8.616 -2.465 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.624 9.033 -0.995 1.00 0.64 H new ATOM 1859 N SER A 437 94.378 10.653 -0.176 1.00 0.84 N ATOM 1860 CA SER A 437 95.382 11.700 0.174 1.00 0.81 C ATOM 1861 C SER A 437 95.816 11.585 1.644 1.00 0.83 C ATOM 1862 O SER A 437 96.385 12.505 2.197 1.00 1.35 O ATOM 1863 CB SER A 437 94.658 13.024 -0.061 1.00 0.80 C ATOM 1864 OG SER A 437 93.924 13.370 1.106 1.00 1.42 O ATOM 0 H SER A 437 93.480 10.738 0.299 1.00 0.84 H new ATOM 0 HA SER A 437 96.290 11.605 -0.422 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.377 13.808 -0.298 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.986 12.938 -0.915 1.00 0.80 H new ATOM 0 HG SER A 437 93.459 14.220 0.960 1.00 1.42 H new ATOM 1870 N ARG A 438 95.518 10.492 2.298 1.00 0.53 N ATOM 1871 CA ARG A 438 95.884 10.376 3.742 1.00 0.62 C ATOM 1872 C ARG A 438 96.758 9.137 3.970 1.00 0.65 C ATOM 1873 O ARG A 438 96.584 8.118 3.334 1.00 0.69 O ATOM 1874 CB ARG A 438 94.549 10.241 4.473 1.00 0.78 C ATOM 1875 CG ARG A 438 94.013 8.821 4.301 1.00 1.34 C ATOM 1876 CD ARG A 438 92.533 8.784 4.678 1.00 1.53 C ATOM 1877 NE ARG A 438 92.155 7.345 4.617 1.00 2.25 N ATOM 1878 CZ ARG A 438 90.981 6.956 5.040 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.132 7.825 5.519 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.656 5.693 4.985 1.00 3.52 N ATOM 0 H ARG A 438 95.042 9.682 1.900 1.00 0.53 H new ATOM 0 HA ARG A 438 96.458 11.232 4.097 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.678 10.466 5.532 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.832 10.961 4.079 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.144 8.494 3.270 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.576 8.130 4.929 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.369 9.193 5.675 1.00 1.53 H new ATOM 0 HD3 ARG A 438 91.935 9.379 3.988 1.00 1.53 H new ATOM 0 HE ARG A 438 92.814 6.661 4.244 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.384 8.812 5.564 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.217 7.516 5.848 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.318 5.012 4.613 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.740 5.387 5.315 1.00 3.52 H new ATOM 1894 N VAL A 439 97.743 9.249 4.816 1.00 0.67 N ATOM 1895 CA VAL A 439 98.700 8.119 5.008 1.00 0.74 C ATOM 1896 C VAL A 439 98.127 7.069 5.961 1.00 0.93 C ATOM 1897 O VAL A 439 97.777 7.363 7.086 1.00 1.41 O ATOM 1898 CB VAL A 439 99.945 8.764 5.616 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.046 7.711 5.762 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.435 9.888 4.702 1.00 0.86 C ATOM 0 H VAL A 439 97.929 10.075 5.385 1.00 0.67 H new ATOM 0 HA VAL A 439 98.911 7.602 4.072 1.00 0.74 H new ATOM 0 HB VAL A 439 99.700 9.173 6.596 1.00 0.89 H new ATOM 0 HG11 VAL A 439 101.934 8.171 6.196 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.698 6.909 6.413 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.291 7.302 4.782 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.323 10.348 5.135 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.680 9.479 3.722 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.652 10.639 4.597 1.00 0.86 H new ATOM 1910 N LEU A 440 98.096 5.830 5.543 1.00 0.79 N ATOM 1911 CA LEU A 440 97.623 4.754 6.463 1.00 1.07 C ATOM 1912 C LEU A 440 98.794 4.202 7.282 1.00 0.74 C ATOM 1913 O LEU A 440 98.634 3.838 8.430 1.00 0.88 O ATOM 1914 CB LEU A 440 97.005 3.662 5.576 1.00 1.60 C ATOM 1915 CG LEU A 440 97.901 3.366 4.372 1.00 1.48 C ATOM 1916 CD1 LEU A 440 97.855 1.870 4.061 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.386 4.140 3.159 1.00 1.57 C ATOM 0 H LEU A 440 98.375 5.519 4.613 1.00 0.79 H new ATOM 0 HA LEU A 440 96.889 5.132 7.175 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.860 2.753 6.159 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.021 3.980 5.233 1.00 1.60 H new ATOM 0 HG LEU A 440 98.925 3.665 4.598 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.493 1.657 3.203 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.209 1.308 4.925 1.00 1.79 H new ATOM 0 HD13 LEU A 440 96.830 1.577 3.833 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.022 3.932 2.298 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.364 3.832 2.938 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.405 5.208 3.374 1.00 1.57 H new ATOM 1929 N GLY A 441 99.982 4.184 6.733 1.00 0.64 N ATOM 1930 CA GLY A 441 101.148 3.707 7.538 1.00 1.02 C ATOM 1931 C GLY A 441 102.426 3.700 6.695 1.00 0.82 C ATOM 1932 O GLY A 441 102.436 4.114 5.555 1.00 0.96 O ATOM 0 H GLY A 441 100.194 4.474 5.778 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.284 4.351 8.407 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.950 2.703 7.914 1.00 1.02 H new ATOM 1936 N VAL A 442 103.511 3.241 7.264 1.00 0.56 N ATOM 1937 CA VAL A 442 104.805 3.213 6.521 1.00 0.44 C ATOM 1938 C VAL A 442 105.289 1.765 6.376 1.00 0.41 C ATOM 1939 O VAL A 442 104.880 0.890 7.113 1.00 0.41 O ATOM 1940 CB VAL A 442 105.770 4.011 7.392 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.115 4.128 6.679 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.198 5.409 7.637 1.00 0.57 C ATOM 0 H VAL A 442 103.555 2.882 8.218 1.00 0.56 H new ATOM 0 HA VAL A 442 104.721 3.628 5.516 1.00 0.44 H new ATOM 0 HB VAL A 442 105.906 3.503 8.347 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.807 4.698 7.299 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.521 3.132 6.503 1.00 0.44 H new ATOM 0 HG13 VAL A 442 106.978 4.638 5.725 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.887 5.980 8.259 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.063 5.919 6.683 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.236 5.325 8.143 1.00 0.57 H new ATOM 1952 N ILE A 443 106.155 1.503 5.436 1.00 0.42 N ATOM 1953 CA ILE A 443 106.658 0.105 5.254 1.00 0.43 C ATOM 1954 C ILE A 443 108.188 0.089 5.212 1.00 0.44 C ATOM 1955 O ILE A 443 108.803 0.752 4.410 1.00 0.51 O ATOM 1956 CB ILE A 443 106.095 -0.361 3.910 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.623 0.045 3.794 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.212 -1.883 3.806 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.865 -0.394 5.047 1.00 1.05 C ATOM 0 H ILE A 443 106.537 2.191 4.787 1.00 0.42 H new ATOM 0 HA ILE A 443 106.349 -0.542 6.075 1.00 0.43 H new ATOM 0 HB ILE A 443 106.662 0.105 3.104 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.543 1.125 3.669 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.179 -0.412 2.910 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.811 -2.214 2.848 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.260 -2.173 3.880 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.649 -2.347 4.615 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.818 -0.103 4.960 1.00 1.05 H new ATOM 0 HD12 ILE A 443 103.933 -1.477 5.153 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.303 0.084 5.923 1.00 1.05 H new ATOM 1971 N ALA A 444 108.802 -0.665 6.070 1.00 0.40 N ATOM 1972 CA ALA A 444 110.293 -0.728 6.085 1.00 0.44 C ATOM 1973 C ALA A 444 110.781 -1.983 5.359 1.00 0.43 C ATOM 1974 O ALA A 444 110.416 -3.085 5.706 1.00 0.45 O ATOM 1975 CB ALA A 444 110.665 -0.801 7.566 1.00 0.46 C ATOM 0 H ALA A 444 108.338 -1.246 6.768 1.00 0.40 H new ATOM 0 HA ALA A 444 110.745 0.128 5.583 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.749 -0.850 7.667 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.293 0.086 8.079 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.219 -1.691 8.010 1.00 0.46 H new ATOM 1981 N LEU A 445 111.602 -1.831 4.357 1.00 0.57 N ATOM 1982 CA LEU A 445 112.111 -3.026 3.622 1.00 0.63 C ATOM 1983 C LEU A 445 113.533 -3.360 4.076 1.00 0.75 C ATOM 1984 O LEU A 445 114.379 -2.492 4.151 1.00 0.92 O ATOM 1985 CB LEU A 445 112.119 -2.618 2.150 1.00 0.81 C ATOM 1986 CG LEU A 445 110.738 -2.845 1.532 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.655 -2.302 2.467 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.659 -2.114 0.190 1.00 1.91 C ATOM 0 H LEU A 445 111.943 -0.933 4.015 1.00 0.57 H new ATOM 0 HA LEU A 445 111.495 -3.907 3.803 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.399 -1.569 2.057 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.867 -3.197 1.609 1.00 0.81 H new ATOM 0 HG LEU A 445 110.582 -3.913 1.382 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.674 -2.466 2.022 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.710 -2.818 3.425 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.809 -1.234 2.621 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.676 -2.273 -0.254 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.818 -1.047 0.347 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.427 -2.500 -0.480 1.00 1.91 H new ATOM 2000 N LYS A 446 113.838 -4.618 4.235 1.00 0.89 N ATOM 2001 CA LYS A 446 115.245 -5.008 4.515 1.00 1.15 C ATOM 2002 C LYS A 446 116.008 -5.162 3.200 1.00 1.27 C ATOM 2003 O LYS A 446 115.472 -5.628 2.214 1.00 1.87 O ATOM 2004 CB LYS A 446 115.144 -6.347 5.231 1.00 1.92 C ATOM 2005 CG LYS A 446 116.503 -6.724 5.817 1.00 2.25 C ATOM 2006 CD LYS A 446 116.394 -8.099 6.473 1.00 2.85 C ATOM 2007 CE LYS A 446 117.693 -8.416 7.219 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.533 -9.821 7.688 1.00 4.48 N ATOM 0 H LYS A 446 113.174 -5.390 4.183 1.00 0.89 H new ATOM 0 HA LYS A 446 115.775 -4.266 5.112 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.399 -6.290 6.024 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.811 -7.117 4.536 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.260 -6.739 5.033 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.817 -5.981 6.550 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.552 -8.117 7.165 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.202 -8.860 5.717 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.559 -8.314 6.565 1.00 3.64 H new ATOM 0 HE3 LYS A 446 117.844 -7.735 8.056 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 118.385 -10.112 8.209 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.705 -9.886 8.314 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 117.398 -10.447 6.869 1.00 4.48 H new ATOM 2022 N ASP A 447 117.239 -4.748 3.169 1.00 1.33 N ATOM 2023 CA ASP A 447 118.026 -4.845 1.906 1.00 2.04 C ATOM 2024 C ASP A 447 118.873 -6.120 1.894 1.00 1.83 C ATOM 2025 O ASP A 447 119.772 -6.289 2.694 1.00 2.21 O ATOM 2026 CB ASP A 447 118.917 -3.603 1.892 1.00 2.93 C ATOM 2027 CG ASP A 447 119.690 -3.508 3.209 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.536 -4.395 4.031 1.00 3.91 O ATOM 2029 OD2 ASP A 447 120.423 -2.546 3.374 1.00 2.75 O ATOM 0 H ASP A 447 117.738 -4.346 3.962 1.00 1.33 H new ATOM 0 HA ASP A 447 117.382 -4.892 1.028 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.612 -3.652 1.054 1.00 2.93 H new ATOM 0 HB3 ASP A 447 118.309 -2.709 1.751 1.00 2.93 H new ATOM 2034 N ILE A 448 118.656 -6.975 0.934 1.00 2.00 N ATOM 2035 CA ILE A 448 119.519 -8.184 0.806 1.00 2.26 C ATOM 2036 C ILE A 448 120.983 -7.754 0.715 1.00 2.39 C ATOM 2037 O ILE A 448 121.844 -8.277 1.395 1.00 2.75 O ATOM 2038 CB ILE A 448 119.071 -8.858 -0.496 1.00 2.53 C ATOM 2039 CG1 ILE A 448 117.789 -9.662 -0.254 1.00 3.34 C ATOM 2040 CG2 ILE A 448 120.165 -9.807 -0.995 1.00 2.71 C ATOM 2041 CD1 ILE A 448 116.797 -8.837 0.569 1.00 3.61 C ATOM 0 H ILE A 448 117.920 -6.890 0.233 1.00 2.00 H new ATOM 0 HA ILE A 448 119.429 -8.859 1.657 1.00 2.26 H new ATOM 0 HB ILE A 448 118.885 -8.086 -1.243 1.00 2.53 H new ATOM 0 HG12 ILE A 448 117.340 -9.940 -1.207 1.00 3.34 H new ATOM 0 HG13 ILE A 448 118.025 -10.589 0.269 1.00 3.34 H new ATOM 0 HG21 ILE A 448 119.840 -10.282 -1.920 1.00 2.71 H new ATOM 0 HG22 ILE A 448 121.080 -9.243 -1.179 1.00 2.71 H new ATOM 0 HG23 ILE A 448 120.355 -10.571 -0.242 1.00 2.71 H new ATOM 0 HD11 ILE A 448 115.890 -9.418 0.735 1.00 3.61 H new ATOM 0 HD12 ILE A 448 117.245 -8.582 1.529 1.00 3.61 H new ATOM 0 HD13 ILE A 448 116.549 -7.923 0.030 1.00 3.61 H new ATOM 2053 N VAL A 449 121.267 -6.803 -0.128 1.00 2.65 N ATOM 2054 CA VAL A 449 122.672 -6.329 -0.282 1.00 3.38 C ATOM 2055 C VAL A 449 122.876 -5.021 0.486 1.00 3.99 C ATOM 2056 O VAL A 449 122.068 -4.116 0.416 1.00 4.70 O ATOM 2057 CB VAL A 449 122.843 -6.098 -1.783 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.288 -5.686 -2.074 1.00 5.09 C ATOM 2059 CG2 VAL A 449 122.520 -7.389 -2.537 1.00 4.27 C ATOM 0 H VAL A 449 120.584 -6.330 -0.720 1.00 2.65 H new ATOM 0 HA VAL A 449 123.396 -7.043 0.110 1.00 3.38 H new ATOM 0 HB VAL A 449 122.167 -5.308 -2.109 1.00 4.18 H new ATOM 0 HG11 VAL A 449 124.411 -5.521 -3.144 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.520 -4.767 -1.536 1.00 5.09 H new ATOM 0 HG13 VAL A 449 124.964 -6.477 -1.749 1.00 5.09 H new ATOM 0 HG21 VAL A 449 122.642 -7.225 -3.608 1.00 4.27 H new ATOM 0 HG22 VAL A 449 123.196 -8.179 -2.212 1.00 4.27 H new ATOM 0 HG23 VAL A 449 121.491 -7.684 -2.330 1.00 4.27 H new ATOM 2069 N LYS A 450 123.955 -4.910 1.211 1.00 4.08 N ATOM 2070 CA LYS A 450 124.214 -3.655 1.974 1.00 5.12 C ATOM 2071 C LYS A 450 125.065 -2.694 1.139 1.00 5.65 C ATOM 2072 O LYS A 450 125.924 -3.106 0.386 1.00 6.68 O ATOM 2073 CB LYS A 450 124.976 -4.100 3.223 1.00 5.87 C ATOM 2074 CG LYS A 450 124.076 -4.991 4.081 1.00 5.93 C ATOM 2075 CD LYS A 450 124.797 -5.340 5.385 1.00 6.39 C ATOM 2076 CE LYS A 450 123.944 -6.321 6.193 1.00 6.77 C ATOM 2077 NZ LYS A 450 123.245 -5.481 7.204 1.00 7.50 N ATOM 0 H LYS A 450 124.668 -5.633 1.308 1.00 4.08 H new ATOM 0 HA LYS A 450 123.294 -3.127 2.225 1.00 5.12 H new ATOM 0 HB2 LYS A 450 125.877 -4.643 2.938 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.296 -3.230 3.796 1.00 5.87 H new ATOM 0 HG2 LYS A 450 123.139 -4.478 4.297 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.823 -5.902 3.538 1.00 5.93 H new ATOM 0 HD2 LYS A 450 125.770 -5.781 5.168 1.00 6.39 H new ATOM 0 HD3 LYS A 450 124.979 -4.436 5.966 1.00 6.39 H new ATOM 0 HE2 LYS A 450 123.232 -6.844 5.554 1.00 6.77 H new ATOM 0 HE3 LYS A 450 124.562 -7.081 6.671 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 122.640 -6.084 7.797 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 123.947 -5.001 7.802 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 122.659 -4.771 6.720 1.00 7.50 H new ATOM 2091 N GLY A 451 124.833 -1.417 1.267 1.00 5.14 N ATOM 2092 CA GLY A 451 125.629 -0.432 0.481 1.00 5.92 C ATOM 2093 C GLY A 451 126.461 0.429 1.432 1.00 6.73 C ATOM 2094 O GLY A 451 127.332 -0.119 2.086 1.00 7.01 O ATOM 2095 OXT GLY A 451 126.213 1.623 1.489 1.00 7.30 O ATOM 0 H GLY A 451 124.127 -1.013 1.882 1.00 5.14 H new ATOM 0 HA2 GLY A 451 126.282 -0.953 -0.220 1.00 5.92 H new ATOM 0 HA3 GLY A 451 124.965 0.199 -0.110 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 118.211 -1.288 -8.434 1.00 0.00 P HETATM 2101 O1G ANP A1001 119.270 -0.215 -8.453 1.00 0.00 O HETATM 2102 O2G ANP A1001 118.518 -2.335 -7.393 1.00 0.00 O HETATM 2103 O3G ANP A1001 118.041 -1.909 -9.795 1.00 0.00 O HETATM 2104 PB ANP A1001 116.826 1.023 -7.989 1.00 0.00 P HETATM 2105 O1B ANP A1001 117.481 1.448 -6.706 1.00 0.00 O HETATM 2106 O2B ANP A1001 117.571 1.519 -9.196 1.00 0.00 O HETATM 2107 N3B ANP A1001 116.812 -0.593 -8.036 1.00 0.00 N HETATM 2108 PA ANP A1001 114.715 2.900 -8.268 1.00 0.00 P HETATM 2109 O1A ANP A1001 115.799 3.863 -7.957 1.00 0.00 O HETATM 2110 O2A ANP A1001 114.121 3.003 -9.623 1.00 0.00 O HETATM 2111 O3A ANP A1001 115.257 1.393 -8.036 1.00 0.00 O HETATM 2112 O5' ANP A1001 113.543 3.040 -7.160 1.00 0.00 O HETATM 2113 C5' ANP A1001 113.254 2.009 -6.188 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.448 2.593 -5.038 1.00 0.00 C HETATM 2115 O4' ANP A1001 111.043 2.522 -5.394 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.670 1.603 -3.914 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.822 1.922 -3.143 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.412 1.766 -3.105 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.544 2.797 -2.137 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.371 2.137 -4.159 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.515 0.948 -4.481 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.957 -0.312 -4.560 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.953 -1.144 -4.850 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.851 -0.417 -4.963 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.478 -0.682 -5.232 1.00 0.00 C HETATM 2126 N6 ANP A1001 106.060 -1.927 -5.428 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.574 0.356 -5.275 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.929 1.660 -5.061 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.241 1.933 -4.801 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.206 0.935 -4.734 1.00 0.00 C HETATM 0 HO3' ANP A1001 114.606 1.474 -3.525 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.489 3.040 -2.045 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 115.974 -1.136 -7.828 1.00 0.00 H new HETATM 0 HN62 ANP A1001 105.075 -2.110 -5.620 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.724 -2.700 -5.386 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.697 1.199 -6.659 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 114.183 1.581 -5.812 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.992 -0.617 -4.409 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.723 3.619 -4.793 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.848 0.586 -4.262 1.00 0.00 H new HETATM 0 H2' ANP A1001 111.155 0.872 -2.537 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.186 2.457 -5.097 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.766 2.954 -3.766 1.00 0.00 H new