USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 THR OG1 : rot -29:sc= 0.398 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 46:sc= 0.244 USER MOD Single : A 29 SER OG : rot 180:sc= -0.609 USER MOD Single : A 30 GLN : amide:sc= -4.01! C(o=-4!,f=-8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 38 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.23) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.58 K(o=-2.6,f=-0.49) USER MOD Single : A 68 SER OG : rot -2:sc= 0.717 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0586 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 82 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.9!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.428 USER MOD Single : A 86 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.966 K(o=-0.97,f=-4.8!) USER MOD Single : A 100 ASN : amide:sc= -0.98 X(o=-0.98,f=-1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 60:sc= 0.107 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 -2.028 1.659 0.581 1.00 11.13 N ATOM 2 CA THR A 22 -1.000 1.434 -0.427 1.00 74.22 C ATOM 3 C THR A 22 -1.579 0.745 -1.658 1.00 33.03 C ATOM 4 O THR A 22 -1.357 -0.442 -1.896 1.00 71.25 O ATOM 5 CB THR A 22 0.155 0.580 0.129 1.00 11.20 C ATOM 6 OG1 THR A 22 -0.361 -0.441 0.990 1.00 70.32 O ATOM 7 CG2 THR A 22 1.145 1.444 0.895 1.00 24.24 C ATOM 0 HA THR A 22 -0.614 2.414 -0.709 1.00 74.22 H new ATOM 0 HB THR A 22 0.674 0.118 -0.711 1.00 11.20 H new ATOM 0 HG1 THR A 22 -1.192 -0.130 1.405 1.00 70.32 H new ATOM 0 HG21 THR A 22 1.952 0.820 1.279 1.00 24.24 H new ATOM 0 HG22 THR A 22 1.558 2.202 0.229 1.00 24.24 H new ATOM 0 HG23 THR A 22 0.636 1.930 1.727 1.00 24.24 H new ATOM 15 N PRO A 23 -2.340 1.505 -2.460 1.00 3.24 N ATOM 16 CA PRO A 23 -2.965 0.988 -3.680 1.00 52.45 C ATOM 17 C PRO A 23 -1.944 0.686 -4.772 1.00 11.41 C ATOM 18 O PRO A 23 -1.314 1.584 -5.332 1.00 34.10 O ATOM 19 CB PRO A 23 -3.891 2.128 -4.115 1.00 24.15 C ATOM 20 CG PRO A 23 -3.279 3.355 -3.532 1.00 51.21 C ATOM 21 CD PRO A 23 -2.647 2.928 -2.236 1.00 62.04 C ATOM 0 HA PRO A 23 -3.481 0.044 -3.504 1.00 52.45 H new ATOM 0 HB2 PRO A 23 -3.954 2.195 -5.201 1.00 24.15 H new ATOM 0 HB3 PRO A 23 -4.905 1.977 -3.745 1.00 24.15 H new ATOM 0 HG2 PRO A 23 -2.536 3.779 -4.207 1.00 51.21 H new ATOM 0 HG3 PRO A 23 -4.032 4.124 -3.364 1.00 51.21 H new ATOM 0 HD2 PRO A 23 -1.748 3.504 -2.018 1.00 62.04 H new ATOM 0 HD3 PRO A 23 -3.325 3.065 -1.394 1.00 62.04 H new ATOM 29 N PRO A 24 -1.775 -0.607 -5.083 1.00 64.22 N ATOM 30 CA PRO A 24 -0.831 -1.057 -6.111 1.00 31.10 C ATOM 31 C PRO A 24 -1.281 -0.676 -7.517 1.00 61.43 C ATOM 32 O PRO A 24 -2.440 -0.874 -7.884 1.00 62.12 O ATOM 33 CB PRO A 24 -0.825 -2.579 -5.945 1.00 42.21 C ATOM 34 CG PRO A 24 -2.147 -2.899 -5.337 1.00 63.04 C ATOM 35 CD PRO A 24 -2.491 -1.730 -4.456 1.00 74.41 C ATOM 0 HA PRO A 24 0.150 -0.598 -5.993 1.00 31.10 H new ATOM 0 HB2 PRO A 24 -0.698 -3.081 -6.904 1.00 42.21 H new ATOM 0 HB3 PRO A 24 -0.005 -2.904 -5.304 1.00 42.21 H new ATOM 0 HG2 PRO A 24 -2.905 -3.044 -6.106 1.00 63.04 H new ATOM 0 HG3 PRO A 24 -2.098 -3.822 -4.759 1.00 63.04 H new ATOM 0 HD2 PRO A 24 -3.566 -1.553 -4.425 1.00 74.41 H new ATOM 0 HD3 PRO A 24 -2.164 -1.891 -3.429 1.00 74.41 H new ATOM 43 N HIS A 25 -0.357 -0.130 -8.302 1.00 13.45 N ATOM 44 CA HIS A 25 -0.659 0.278 -9.669 1.00 73.11 C ATOM 45 C HIS A 25 0.083 -0.598 -10.674 1.00 20.34 C ATOM 46 O HIS A 25 1.212 -0.297 -11.062 1.00 2.11 O ATOM 47 CB HIS A 25 -0.286 1.745 -9.881 1.00 3.33 C ATOM 48 CG HIS A 25 -1.047 2.690 -9.003 1.00 35.11 C ATOM 49 ND1 HIS A 25 -0.542 3.903 -8.586 1.00 53.43 N ATOM 50 CD2 HIS A 25 -2.285 2.594 -8.464 1.00 14.32 C ATOM 51 CE1 HIS A 25 -1.436 4.513 -7.827 1.00 63.44 C ATOM 52 NE2 HIS A 25 -2.503 3.739 -7.738 1.00 2.43 N ATOM 0 H HIS A 25 0.607 0.040 -8.014 1.00 13.45 H new ATOM 0 HA HIS A 25 -1.730 0.157 -9.829 1.00 73.11 H new ATOM 0 HB2 HIS A 25 0.781 1.870 -9.697 1.00 3.33 H new ATOM 0 HB3 HIS A 25 -0.462 2.009 -10.924 1.00 3.33 H new ATOM 0 HD2 HIS A 25 -2.973 1.770 -8.583 1.00 14.32 H new ATOM 0 HE1 HIS A 25 -1.315 5.479 -7.360 1.00 63.44 H new ATOM 0 HE2 HIS A 25 -3.351 3.957 -7.215 1.00 2.43 H new ATOM 60 N THR A 26 -0.558 -1.686 -11.091 1.00 12.31 N ATOM 61 CA THR A 26 0.042 -2.607 -12.048 1.00 55.51 C ATOM 62 C THR A 26 -0.604 -2.468 -13.422 1.00 63.43 C ATOM 63 O THR A 26 0.012 -2.781 -14.441 1.00 31.43 O ATOM 64 CB THR A 26 -0.087 -4.068 -11.578 1.00 4.21 C ATOM 65 OG1 THR A 26 -1.337 -4.259 -10.908 1.00 15.12 O ATOM 66 CG2 THR A 26 1.056 -4.438 -10.645 1.00 23.13 C ATOM 0 H THR A 26 -1.493 -1.951 -10.781 1.00 12.31 H new ATOM 0 HA THR A 26 1.098 -2.348 -12.118 1.00 55.51 H new ATOM 0 HB THR A 26 -0.044 -4.714 -12.455 1.00 4.21 H new ATOM 0 HG1 THR A 26 -2.054 -3.842 -11.429 1.00 15.12 H new ATOM 0 HG21 THR A 26 0.944 -5.474 -10.326 1.00 23.13 H new ATOM 0 HG22 THR A 26 2.005 -4.320 -11.168 1.00 23.13 H new ATOM 0 HG23 THR A 26 1.039 -3.786 -9.772 1.00 23.13 H new ATOM 74 N GLU A 27 -1.847 -1.997 -13.443 1.00 24.22 N ATOM 75 CA GLU A 27 -2.574 -1.818 -14.694 1.00 33.23 C ATOM 76 C GLU A 27 -3.157 -0.411 -14.788 1.00 4.33 C ATOM 77 O GLU A 27 -3.362 0.272 -13.784 1.00 34.52 O ATOM 78 CB GLU A 27 -3.694 -2.854 -14.811 1.00 33.13 C ATOM 79 CG GLU A 27 -4.449 -3.083 -13.512 1.00 74.53 C ATOM 80 CD GLU A 27 -4.015 -4.350 -12.801 1.00 20.13 C ATOM 81 OE1 GLU A 27 -3.757 -5.359 -13.489 1.00 73.51 O ATOM 82 OE2 GLU A 27 -3.933 -4.331 -11.555 1.00 24.34 O ATOM 0 H GLU A 27 -2.371 -1.733 -12.609 1.00 24.22 H new ATOM 0 HA GLU A 27 -1.872 -1.958 -15.516 1.00 33.23 H new ATOM 0 HB2 GLU A 27 -4.398 -2.531 -15.578 1.00 33.13 H new ATOM 0 HB3 GLU A 27 -3.269 -3.800 -15.146 1.00 33.13 H new ATOM 0 HG2 GLU A 27 -4.296 -2.229 -12.852 1.00 74.53 H new ATOM 0 HG3 GLU A 27 -5.517 -3.136 -13.721 1.00 74.53 H new ATOM 89 N PRO A 28 -3.428 0.035 -16.023 1.00 53.41 N ATOM 90 CA PRO A 28 -3.990 1.365 -16.279 1.00 33.11 C ATOM 91 C PRO A 28 -5.437 1.482 -15.812 1.00 53.14 C ATOM 92 O PRO A 28 -6.083 0.481 -15.504 1.00 71.40 O ATOM 93 CB PRO A 28 -3.907 1.498 -17.802 1.00 1.35 C ATOM 94 CG PRO A 28 -3.919 0.097 -18.306 1.00 31.41 C ATOM 95 CD PRO A 28 -3.208 -0.724 -17.265 1.00 73.04 C ATOM 0 HA PRO A 28 -3.453 2.145 -15.740 1.00 33.11 H new ATOM 0 HB2 PRO A 28 -4.749 2.068 -18.196 1.00 1.35 H new ATOM 0 HB3 PRO A 28 -2.999 2.020 -18.105 1.00 1.35 H new ATOM 0 HG2 PRO A 28 -4.940 -0.257 -18.452 1.00 31.41 H new ATOM 0 HG3 PRO A 28 -3.416 0.025 -19.270 1.00 31.41 H new ATOM 0 HD2 PRO A 28 -3.619 -1.731 -17.198 1.00 73.04 H new ATOM 0 HD3 PRO A 28 -2.147 -0.827 -17.490 1.00 73.04 H new ATOM 103 N SER A 29 -5.941 2.711 -15.763 1.00 42.35 N ATOM 104 CA SER A 29 -7.311 2.959 -15.331 1.00 52.42 C ATOM 105 C SER A 29 -7.810 4.305 -15.851 1.00 25.44 C ATOM 106 O SER A 29 -7.422 5.358 -15.346 1.00 43.14 O ATOM 107 CB SER A 29 -7.401 2.924 -13.804 1.00 41.43 C ATOM 108 OG SER A 29 -6.393 2.095 -13.253 1.00 62.11 O ATOM 0 H SER A 29 -5.421 3.551 -16.017 1.00 42.35 H new ATOM 0 HA SER A 29 -7.944 2.173 -15.743 1.00 52.42 H new ATOM 0 HB2 SER A 29 -7.302 3.934 -13.407 1.00 41.43 H new ATOM 0 HB3 SER A 29 -8.382 2.558 -13.503 1.00 41.43 H new ATOM 0 HG SER A 29 -6.471 2.090 -12.276 1.00 62.11 H new ATOM 114 N GLN A 30 -8.671 4.259 -16.862 1.00 11.04 N ATOM 115 CA GLN A 30 -9.222 5.474 -17.450 1.00 72.22 C ATOM 116 C GLN A 30 -10.564 5.826 -16.816 1.00 22.11 C ATOM 117 O GLN A 30 -11.353 6.580 -17.385 1.00 44.24 O ATOM 118 CB GLN A 30 -9.388 5.304 -18.961 1.00 71.23 C ATOM 119 CG GLN A 30 -8.193 4.648 -19.634 1.00 75.54 C ATOM 120 CD GLN A 30 -8.237 4.766 -21.145 1.00 71.32 C ATOM 121 OE1 GLN A 30 -7.235 5.088 -21.783 1.00 43.14 O ATOM 122 NE2 GLN A 30 -9.402 4.504 -21.726 1.00 52.52 N ATOM 0 H GLN A 30 -9.002 3.395 -17.291 1.00 11.04 H new ATOM 0 HA GLN A 30 -8.525 6.289 -17.257 1.00 72.22 H new ATOM 0 HB2 GLN A 30 -10.278 4.705 -19.155 1.00 71.23 H new ATOM 0 HB3 GLN A 30 -9.557 6.282 -19.412 1.00 71.23 H new ATOM 0 HG2 GLN A 30 -7.276 5.106 -19.264 1.00 75.54 H new ATOM 0 HG3 GLN A 30 -8.158 3.595 -19.356 1.00 75.54 H new ATOM 0 HE21 GLN A 30 -10.207 4.241 -21.158 1.00 52.52 H new ATOM 0 HE22 GLN A 30 -9.492 4.566 -22.740 1.00 52.52 H new ATOM 131 N VAL A 31 -10.817 5.274 -15.633 1.00 44.32 N ATOM 132 CA VAL A 31 -12.063 5.531 -14.921 1.00 24.42 C ATOM 133 C VAL A 31 -11.812 5.736 -13.431 1.00 43.22 C ATOM 134 O VAL A 31 -10.890 5.154 -12.860 1.00 31.55 O ATOM 135 CB VAL A 31 -13.063 4.375 -15.107 1.00 35.32 C ATOM 136 CG1 VAL A 31 -13.305 4.110 -16.585 1.00 64.31 C ATOM 137 CG2 VAL A 31 -12.564 3.120 -14.406 1.00 51.13 C ATOM 0 H VAL A 31 -10.176 4.646 -15.148 1.00 44.32 H new ATOM 0 HA VAL A 31 -12.488 6.441 -15.344 1.00 24.42 H new ATOM 0 HB VAL A 31 -14.012 4.663 -14.654 1.00 35.32 H new ATOM 0 HG11 VAL A 31 -14.014 3.290 -16.696 1.00 64.31 H new ATOM 0 HG12 VAL A 31 -13.711 5.007 -17.054 1.00 64.31 H new ATOM 0 HG13 VAL A 31 -12.364 3.843 -17.066 1.00 64.31 H new ATOM 0 HG21 VAL A 31 -13.283 2.313 -14.548 1.00 51.13 H new ATOM 0 HG22 VAL A 31 -11.602 2.827 -14.826 1.00 51.13 H new ATOM 0 HG23 VAL A 31 -12.449 3.320 -13.341 1.00 51.13 H new ATOM 147 N VAL A 32 -12.639 6.569 -12.807 1.00 24.13 N ATOM 148 CA VAL A 32 -12.508 6.851 -11.382 1.00 61.22 C ATOM 149 C VAL A 32 -13.828 6.623 -10.654 1.00 5.04 C ATOM 150 O VAL A 32 -14.895 6.982 -11.152 1.00 41.15 O ATOM 151 CB VAL A 32 -12.042 8.298 -11.137 1.00 2.20 C ATOM 152 CG1 VAL A 32 -10.795 8.603 -11.953 1.00 40.40 C ATOM 153 CG2 VAL A 32 -13.157 9.279 -11.465 1.00 11.41 C ATOM 0 H VAL A 32 -13.406 7.060 -13.265 1.00 24.13 H new ATOM 0 HA VAL A 32 -11.757 6.165 -10.991 1.00 61.22 H new ATOM 0 HB VAL A 32 -11.792 8.407 -10.082 1.00 2.20 H new ATOM 0 HG11 VAL A 32 -10.481 9.630 -11.767 1.00 40.40 H new ATOM 0 HG12 VAL A 32 -9.995 7.921 -11.664 1.00 40.40 H new ATOM 0 HG13 VAL A 32 -11.014 8.477 -13.013 1.00 40.40 H new ATOM 0 HG21 VAL A 32 -12.810 10.297 -11.286 1.00 11.41 H new ATOM 0 HG22 VAL A 32 -13.440 9.171 -12.512 1.00 11.41 H new ATOM 0 HG23 VAL A 32 -14.020 9.073 -10.832 1.00 11.41 H new ATOM 163 N LEU A 33 -13.748 6.025 -9.470 1.00 62.43 N ATOM 164 CA LEU A 33 -14.937 5.749 -8.671 1.00 25.22 C ATOM 165 C LEU A 33 -15.035 6.711 -7.492 1.00 11.43 C ATOM 166 O LEU A 33 -14.125 6.792 -6.666 1.00 51.21 O ATOM 167 CB LEU A 33 -14.911 4.305 -8.165 1.00 13.52 C ATOM 168 CG LEU A 33 -15.677 4.035 -6.869 1.00 71.13 C ATOM 169 CD1 LEU A 33 -17.124 4.486 -7.000 1.00 63.52 C ATOM 170 CD2 LEU A 33 -15.607 2.559 -6.507 1.00 31.33 C ATOM 0 H LEU A 33 -12.873 5.722 -9.042 1.00 62.43 H new ATOM 0 HA LEU A 33 -15.812 5.890 -9.305 1.00 25.22 H new ATOM 0 HB2 LEU A 33 -15.317 3.660 -8.945 1.00 13.52 H new ATOM 0 HB3 LEU A 33 -13.872 4.011 -8.017 1.00 13.52 H new ATOM 0 HG LEU A 33 -15.211 4.608 -6.067 1.00 71.13 H new ATOM 0 HD11 LEU A 33 -17.653 4.286 -6.068 1.00 63.52 H new ATOM 0 HD12 LEU A 33 -17.154 5.555 -7.212 1.00 63.52 H new ATOM 0 HD13 LEU A 33 -17.603 3.941 -7.813 1.00 63.52 H new ATOM 0 HD21 LEU A 33 -16.157 2.385 -5.582 1.00 31.33 H new ATOM 0 HD22 LEU A 33 -16.048 1.966 -7.309 1.00 31.33 H new ATOM 0 HD23 LEU A 33 -14.566 2.267 -6.370 1.00 31.33 H new ATOM 182 N ILE A 34 -16.146 7.437 -7.419 1.00 4.35 N ATOM 183 CA ILE A 34 -16.364 8.392 -6.339 1.00 31.44 C ATOM 184 C ILE A 34 -17.470 7.917 -5.401 1.00 44.43 C ATOM 185 O ILE A 34 -18.421 7.262 -5.827 1.00 33.55 O ATOM 186 CB ILE A 34 -16.731 9.784 -6.884 1.00 11.43 C ATOM 187 CG1 ILE A 34 -18.003 9.706 -7.731 1.00 64.31 C ATOM 188 CG2 ILE A 34 -15.580 10.355 -7.698 1.00 64.43 C ATOM 189 CD1 ILE A 34 -17.738 9.715 -9.220 1.00 63.24 C ATOM 0 H ILE A 34 -16.908 7.382 -8.094 1.00 4.35 H new ATOM 0 HA ILE A 34 -15.427 8.463 -5.786 1.00 31.44 H new ATOM 0 HB ILE A 34 -16.919 10.449 -6.041 1.00 11.43 H new ATOM 0 HG12 ILE A 34 -18.547 8.798 -7.472 1.00 64.31 H new ATOM 0 HG13 ILE A 34 -18.649 10.547 -7.480 1.00 64.31 H new ATOM 0 HG21 ILE A 34 -15.855 11.339 -8.076 1.00 64.43 H new ATOM 0 HG22 ILE A 34 -14.696 10.443 -7.066 1.00 64.43 H new ATOM 0 HG23 ILE A 34 -15.363 9.692 -8.536 1.00 64.43 H new ATOM 0 HD11 ILE A 34 -18.684 9.657 -9.758 1.00 63.24 H new ATOM 0 HD12 ILE A 34 -17.221 10.635 -9.492 1.00 63.24 H new ATOM 0 HD13 ILE A 34 -17.117 8.859 -9.484 1.00 63.24 H new ATOM 201 N THR A 35 -17.339 8.255 -4.122 1.00 63.01 N ATOM 202 CA THR A 35 -18.326 7.865 -3.124 1.00 33.22 C ATOM 203 C THR A 35 -18.522 8.964 -2.085 1.00 71.45 C ATOM 204 O THR A 35 -17.970 10.055 -2.212 1.00 3.41 O ATOM 205 CB THR A 35 -17.917 6.564 -2.407 1.00 51.13 C ATOM 206 OG1 THR A 35 -16.744 6.788 -1.618 1.00 23.13 O ATOM 207 CG2 THR A 35 -17.654 5.453 -3.412 1.00 31.50 C ATOM 0 H THR A 35 -16.558 8.798 -3.753 1.00 63.01 H new ATOM 0 HA THR A 35 -19.263 7.699 -3.655 1.00 33.22 H new ATOM 0 HB THR A 35 -18.738 6.259 -1.758 1.00 51.13 H new ATOM 0 HG1 THR A 35 -16.491 5.957 -1.164 1.00 23.13 H new ATOM 0 HG21 THR A 35 -17.367 4.544 -2.883 1.00 31.50 H new ATOM 0 HG22 THR A 35 -18.558 5.265 -3.992 1.00 31.50 H new ATOM 0 HG23 THR A 35 -16.849 5.752 -4.083 1.00 31.50 H new ATOM 215 N ASN A 36 -19.312 8.667 -1.058 1.00 62.24 N ATOM 216 CA ASN A 36 -19.580 9.631 0.003 1.00 72.52 C ATOM 217 C ASN A 36 -20.368 10.823 -0.532 1.00 20.23 C ATOM 218 O ASN A 36 -20.252 11.936 -0.019 1.00 12.22 O ATOM 219 CB ASN A 36 -18.269 10.110 0.628 1.00 1.41 C ATOM 220 CG ASN A 36 -18.376 10.290 2.130 1.00 13.11 C ATOM 221 OD1 ASN A 36 -19.407 10.729 2.642 1.00 65.31 O ATOM 222 ND2 ASN A 36 -17.309 9.951 2.844 1.00 12.21 N ATOM 0 H ASN A 36 -19.777 7.767 -0.938 1.00 62.24 H new ATOM 0 HA ASN A 36 -20.179 9.136 0.767 1.00 72.52 H new ATOM 0 HB2 ASN A 36 -17.480 9.391 0.406 1.00 1.41 H new ATOM 0 HB3 ASN A 36 -17.976 11.056 0.171 1.00 1.41 H new ATOM 0 HD21 ASN A 36 -17.322 10.050 3.859 1.00 12.21 H new ATOM 0 HD22 ASN A 36 -16.476 9.591 2.377 1.00 12.21 H new ATOM 229 N ILE A 37 -21.169 10.581 -1.564 1.00 63.11 N ATOM 230 CA ILE A 37 -21.977 11.634 -2.167 1.00 23.13 C ATOM 231 C ILE A 37 -23.425 11.553 -1.695 1.00 43.43 C ATOM 232 O ILE A 37 -24.003 10.470 -1.615 1.00 5.40 O ATOM 233 CB ILE A 37 -21.944 11.558 -3.705 1.00 13.04 C ATOM 234 CG1 ILE A 37 -22.313 10.150 -4.175 1.00 72.34 C ATOM 235 CG2 ILE A 37 -20.571 11.954 -4.226 1.00 23.35 C ATOM 236 CD1 ILE A 37 -22.531 10.050 -5.669 1.00 22.41 C ATOM 0 H ILE A 37 -21.276 9.665 -2.000 1.00 63.11 H new ATOM 0 HA ILE A 37 -21.547 12.584 -1.850 1.00 23.13 H new ATOM 0 HB ILE A 37 -22.678 12.258 -4.105 1.00 13.04 H new ATOM 0 HG12 ILE A 37 -21.521 9.459 -3.884 1.00 72.34 H new ATOM 0 HG13 ILE A 37 -23.220 9.830 -3.661 1.00 72.34 H new ATOM 0 HG21 ILE A 37 -20.564 11.895 -5.314 1.00 23.35 H new ATOM 0 HG22 ILE A 37 -20.345 12.974 -3.916 1.00 23.35 H new ATOM 0 HG23 ILE A 37 -19.819 11.277 -3.821 1.00 23.35 H new ATOM 0 HD11 ILE A 37 -22.789 9.024 -5.931 1.00 22.41 H new ATOM 0 HD12 ILE A 37 -23.343 10.715 -5.964 1.00 22.41 H new ATOM 0 HD13 ILE A 37 -21.618 10.339 -6.190 1.00 22.41 H new ATOM 248 N ASN A 38 -24.006 12.708 -1.386 1.00 44.23 N ATOM 249 CA ASN A 38 -25.387 12.769 -0.924 1.00 35.00 C ATOM 250 C ASN A 38 -26.358 12.663 -2.096 1.00 54.51 C ATOM 251 O ASN A 38 -26.299 13.434 -3.055 1.00 33.13 O ATOM 252 CB ASN A 38 -25.634 14.070 -0.158 1.00 53.54 C ATOM 253 CG ASN A 38 -26.048 13.826 1.280 1.00 71.31 C ATOM 254 OD1 ASN A 38 -25.484 12.971 1.963 1.00 71.53 O ATOM 255 ND2 ASN A 38 -27.038 14.577 1.747 1.00 53.44 N ATOM 0 H ASN A 38 -23.541 13.614 -1.447 1.00 44.23 H new ATOM 0 HA ASN A 38 -25.558 11.925 -0.256 1.00 35.00 H new ATOM 0 HB2 ASN A 38 -24.728 14.675 -0.174 1.00 53.54 H new ATOM 0 HB3 ASN A 38 -26.410 14.644 -0.664 1.00 53.54 H new ATOM 0 HD21 ASN A 38 -27.360 14.457 2.707 1.00 53.44 H new ATOM 0 HD22 ASN A 38 -27.477 15.274 1.145 1.00 53.44 H new ATOM 262 N PRO A 39 -27.275 11.687 -2.019 1.00 42.13 N ATOM 263 CA PRO A 39 -28.277 11.458 -3.064 1.00 40.03 C ATOM 264 C PRO A 39 -29.321 12.568 -3.119 1.00 72.14 C ATOM 265 O PRO A 39 -30.164 12.595 -4.016 1.00 5.21 O ATOM 266 CB PRO A 39 -28.925 10.134 -2.650 1.00 41.44 C ATOM 267 CG PRO A 39 -28.720 10.057 -1.177 1.00 25.51 C ATOM 268 CD PRO A 39 -27.404 10.732 -0.906 1.00 23.01 C ATOM 0 HA PRO A 39 -27.832 11.438 -4.059 1.00 40.03 H new ATOM 0 HB2 PRO A 39 -29.985 10.115 -2.904 1.00 41.44 H new ATOM 0 HB3 PRO A 39 -28.461 9.290 -3.159 1.00 41.44 H new ATOM 0 HG2 PRO A 39 -29.530 10.554 -0.644 1.00 25.51 H new ATOM 0 HG3 PRO A 39 -28.704 9.021 -0.839 1.00 25.51 H new ATOM 0 HD2 PRO A 39 -27.403 11.238 0.060 1.00 23.01 H new ATOM 0 HD3 PRO A 39 -26.581 10.017 -0.892 1.00 23.01 H new ATOM 276 N GLU A 40 -29.259 13.481 -2.155 1.00 40.25 N ATOM 277 CA GLU A 40 -30.201 14.593 -2.096 1.00 5.04 C ATOM 278 C GLU A 40 -30.273 15.317 -3.437 1.00 14.11 C ATOM 279 O GLU A 40 -31.303 15.893 -3.789 1.00 61.12 O ATOM 280 CB GLU A 40 -29.795 15.575 -0.995 1.00 2.32 C ATOM 281 CG GLU A 40 -30.572 15.395 0.299 1.00 65.24 C ATOM 282 CD GLU A 40 -30.444 16.587 1.227 1.00 61.01 C ATOM 283 OE1 GLU A 40 -29.891 17.619 0.793 1.00 1.41 O ATOM 284 OE2 GLU A 40 -30.896 16.488 2.386 1.00 33.25 O ATOM 0 H GLU A 40 -28.568 13.473 -1.405 1.00 40.25 H new ATOM 0 HA GLU A 40 -31.187 14.189 -1.868 1.00 5.04 H new ATOM 0 HB2 GLU A 40 -28.731 15.457 -0.789 1.00 2.32 H new ATOM 0 HB3 GLU A 40 -29.939 16.593 -1.357 1.00 2.32 H new ATOM 0 HG2 GLU A 40 -31.624 15.232 0.067 1.00 65.24 H new ATOM 0 HG3 GLU A 40 -30.216 14.501 0.811 1.00 65.24 H new ATOM 291 N VAL A 41 -29.172 15.284 -4.181 1.00 55.02 N ATOM 292 CA VAL A 41 -29.110 15.936 -5.484 1.00 35.01 C ATOM 293 C VAL A 41 -29.453 14.960 -6.604 1.00 20.12 C ATOM 294 O VAL A 41 -28.963 13.831 -6.649 1.00 2.41 O ATOM 295 CB VAL A 41 -27.715 16.533 -5.747 1.00 32.11 C ATOM 296 CG1 VAL A 41 -26.647 15.453 -5.659 1.00 52.40 C ATOM 297 CG2 VAL A 41 -27.678 17.222 -7.102 1.00 40.24 C ATOM 0 H VAL A 41 -28.311 14.813 -3.904 1.00 55.02 H new ATOM 0 HA VAL A 41 -29.845 16.741 -5.470 1.00 35.01 H new ATOM 0 HB VAL A 41 -27.507 17.279 -4.980 1.00 32.11 H new ATOM 0 HG11 VAL A 41 -25.668 15.893 -5.848 1.00 52.40 H new ATOM 0 HG12 VAL A 41 -26.660 15.009 -4.664 1.00 52.40 H new ATOM 0 HG13 VAL A 41 -26.847 14.682 -6.403 1.00 52.40 H new ATOM 0 HG21 VAL A 41 -26.685 17.638 -7.272 1.00 40.24 H new ATOM 0 HG22 VAL A 41 -27.907 16.498 -7.884 1.00 40.24 H new ATOM 0 HG23 VAL A 41 -28.416 18.024 -7.123 1.00 40.24 H new ATOM 307 N PRO A 42 -30.315 15.402 -7.531 1.00 41.53 N ATOM 308 CA PRO A 42 -30.742 14.584 -8.670 1.00 21.21 C ATOM 309 C PRO A 42 -29.619 14.362 -9.678 1.00 33.03 C ATOM 310 O PRO A 42 -28.847 15.274 -9.974 1.00 11.13 O ATOM 311 CB PRO A 42 -31.868 15.409 -9.297 1.00 74.32 C ATOM 312 CG PRO A 42 -31.575 16.814 -8.901 1.00 2.35 C ATOM 313 CD PRO A 42 -30.938 16.736 -7.540 1.00 55.43 C ATOM 0 HA PRO A 42 -31.048 13.584 -8.362 1.00 21.21 H new ATOM 0 HB2 PRO A 42 -31.883 15.298 -10.381 1.00 74.32 H new ATOM 0 HB3 PRO A 42 -32.844 15.090 -8.931 1.00 74.32 H new ATOM 0 HG2 PRO A 42 -30.906 17.290 -9.618 1.00 2.35 H new ATOM 0 HG3 PRO A 42 -32.487 17.410 -8.871 1.00 2.35 H new ATOM 0 HD2 PRO A 42 -30.200 17.525 -7.396 1.00 55.43 H new ATOM 0 HD3 PRO A 42 -31.676 16.840 -6.744 1.00 55.43 H new ATOM 321 N LYS A 43 -29.534 13.144 -10.203 1.00 10.42 N ATOM 322 CA LYS A 43 -28.507 12.802 -11.179 1.00 41.15 C ATOM 323 C LYS A 43 -28.420 13.863 -12.272 1.00 4.11 C ATOM 324 O LYS A 43 -27.340 14.142 -12.793 1.00 75.12 O ATOM 325 CB LYS A 43 -28.802 11.436 -11.803 1.00 50.00 C ATOM 326 CG LYS A 43 -27.970 11.139 -13.039 1.00 31.14 C ATOM 327 CD LYS A 43 -28.809 11.202 -14.304 1.00 41.40 C ATOM 328 CE LYS A 43 -29.001 9.823 -14.915 1.00 65.15 C ATOM 329 NZ LYS A 43 -30.250 9.171 -14.434 1.00 2.34 N ATOM 0 H LYS A 43 -30.165 12.377 -9.968 1.00 10.42 H new ATOM 0 HA LYS A 43 -27.549 12.759 -10.661 1.00 41.15 H new ATOM 0 HB2 LYS A 43 -28.622 10.660 -11.059 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -29.859 11.387 -12.066 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -27.151 11.855 -13.108 1.00 31.14 H new ATOM 0 HG3 LYS A 43 -27.521 10.150 -12.948 1.00 31.14 H new ATOM 0 HD2 LYS A 43 -29.781 11.638 -14.075 1.00 41.40 H new ATOM 0 HD3 LYS A 43 -28.327 11.858 -15.029 1.00 41.40 H new ATOM 0 HE2 LYS A 43 -29.031 9.908 -16.001 1.00 65.15 H new ATOM 0 HE3 LYS A 43 -28.145 9.194 -14.668 1.00 65.15 H new ATOM 0 HZ1 LYS A 43 -30.344 8.233 -14.874 1.00 2.34 H new ATOM 0 HZ2 LYS A 43 -30.211 9.066 -13.400 1.00 2.34 H new ATOM 0 HZ3 LYS A 43 -31.069 9.758 -14.692 1.00 2.34 H new ATOM 343 N GLU A 44 -29.562 14.452 -12.612 1.00 31.34 N ATOM 344 CA GLU A 44 -29.613 15.483 -13.642 1.00 23.43 C ATOM 345 C GLU A 44 -28.572 16.567 -13.378 1.00 21.12 C ATOM 346 O GLU A 44 -27.738 16.865 -14.233 1.00 52.14 O ATOM 347 CB GLU A 44 -31.009 16.105 -13.704 1.00 32.14 C ATOM 348 CG GLU A 44 -31.885 15.527 -14.803 1.00 2.31 C ATOM 349 CD GLU A 44 -33.229 16.222 -14.903 1.00 71.42 C ATOM 350 OE1 GLU A 44 -34.120 15.908 -14.086 1.00 53.41 O ATOM 351 OE2 GLU A 44 -33.390 17.077 -15.798 1.00 53.31 O ATOM 0 H GLU A 44 -30.464 14.233 -12.189 1.00 31.34 H new ATOM 0 HA GLU A 44 -29.390 15.014 -14.600 1.00 23.43 H new ATOM 0 HB2 GLU A 44 -31.504 15.962 -12.744 1.00 32.14 H new ATOM 0 HB3 GLU A 44 -30.912 17.180 -13.856 1.00 32.14 H new ATOM 0 HG2 GLU A 44 -31.366 15.609 -15.758 1.00 2.31 H new ATOM 0 HG3 GLU A 44 -32.042 14.465 -14.616 1.00 2.31 H new ATOM 358 N LYS A 45 -28.627 17.154 -12.187 1.00 50.33 N ATOM 359 CA LYS A 45 -27.690 18.205 -11.808 1.00 52.30 C ATOM 360 C LYS A 45 -26.388 17.610 -11.281 1.00 75.43 C ATOM 361 O LYS A 45 -25.299 18.074 -11.621 1.00 32.12 O ATOM 362 CB LYS A 45 -28.314 19.114 -10.746 1.00 42.25 C ATOM 363 CG LYS A 45 -29.538 19.869 -11.235 1.00 72.30 C ATOM 364 CD LYS A 45 -30.201 20.645 -10.109 1.00 62.13 C ATOM 365 CE LYS A 45 -31.613 20.146 -9.844 1.00 61.10 C ATOM 366 NZ LYS A 45 -32.532 21.256 -9.469 1.00 72.12 N ATOM 0 H LYS A 45 -29.311 16.920 -11.467 1.00 50.33 H new ATOM 0 HA LYS A 45 -27.466 18.795 -12.697 1.00 52.30 H new ATOM 0 HB2 LYS A 45 -28.591 18.511 -9.881 1.00 42.25 H new ATOM 0 HB3 LYS A 45 -27.566 19.831 -10.409 1.00 42.25 H new ATOM 0 HG2 LYS A 45 -29.249 20.556 -12.031 1.00 72.30 H new ATOM 0 HG3 LYS A 45 -30.253 19.167 -11.664 1.00 72.30 H new ATOM 0 HD2 LYS A 45 -29.605 20.552 -9.201 1.00 62.13 H new ATOM 0 HD3 LYS A 45 -30.230 21.704 -10.364 1.00 62.13 H new ATOM 0 HE2 LYS A 45 -31.994 19.644 -10.733 1.00 61.10 H new ATOM 0 HE3 LYS A 45 -31.592 19.406 -9.044 1.00 61.10 H new ATOM 0 HZ1 LYS A 45 -33.484 20.875 -9.297 1.00 72.12 H new ATOM 0 HZ2 LYS A 45 -32.183 21.719 -8.606 1.00 72.12 H new ATOM 0 HZ3 LYS A 45 -32.572 21.950 -10.242 1.00 72.12 H new ATOM 380 N LEU A 46 -26.508 16.579 -10.452 1.00 0.03 N ATOM 381 CA LEU A 46 -25.340 15.918 -9.879 1.00 51.31 C ATOM 382 C LEU A 46 -24.355 15.512 -10.970 1.00 45.52 C ATOM 383 O LEU A 46 -23.157 15.775 -10.866 1.00 23.21 O ATOM 384 CB LEU A 46 -25.768 14.687 -9.078 1.00 43.05 C ATOM 385 CG LEU A 46 -24.930 13.425 -9.290 1.00 14.14 C ATOM 386 CD1 LEU A 46 -23.511 13.636 -8.785 1.00 71.34 C ATOM 387 CD2 LEU A 46 -25.575 12.235 -8.594 1.00 5.04 C ATOM 0 H LEU A 46 -27.402 16.183 -10.161 1.00 0.03 H new ATOM 0 HA LEU A 46 -24.844 16.623 -9.212 1.00 51.31 H new ATOM 0 HB2 LEU A 46 -25.744 14.941 -8.018 1.00 43.05 H new ATOM 0 HB3 LEU A 46 -26.804 14.458 -9.328 1.00 43.05 H new ATOM 0 HG LEU A 46 -24.886 13.215 -10.359 1.00 14.14 H new ATOM 0 HD11 LEU A 46 -22.929 12.728 -8.944 1.00 71.34 H new ATOM 0 HD12 LEU A 46 -23.051 14.461 -9.328 1.00 71.34 H new ATOM 0 HD13 LEU A 46 -23.535 13.870 -7.721 1.00 71.34 H new ATOM 0 HD21 LEU A 46 -24.966 11.345 -8.755 1.00 5.04 H new ATOM 0 HD22 LEU A 46 -25.650 12.435 -7.525 1.00 5.04 H new ATOM 0 HD23 LEU A 46 -26.572 12.071 -9.003 1.00 5.04 H new ATOM 399 N GLN A 47 -24.868 14.873 -12.016 1.00 40.44 N ATOM 400 CA GLN A 47 -24.033 14.433 -13.127 1.00 45.13 C ATOM 401 C GLN A 47 -23.417 15.626 -13.852 1.00 33.22 C ATOM 402 O GLN A 47 -22.214 15.655 -14.108 1.00 51.34 O ATOM 403 CB GLN A 47 -24.853 13.593 -14.108 1.00 45.10 C ATOM 404 CG GLN A 47 -24.030 13.013 -15.248 1.00 14.05 C ATOM 405 CD GLN A 47 -24.807 12.935 -16.547 1.00 34.41 C ATOM 406 OE1 GLN A 47 -24.329 13.366 -17.597 1.00 33.25 O ATOM 407 NE2 GLN A 47 -26.013 12.382 -16.483 1.00 52.14 N ATOM 0 H GLN A 47 -25.858 14.648 -12.117 1.00 40.44 H new ATOM 0 HA GLN A 47 -23.227 13.822 -12.722 1.00 45.13 H new ATOM 0 HB2 GLN A 47 -25.331 12.778 -13.564 1.00 45.10 H new ATOM 0 HB3 GLN A 47 -25.650 14.210 -14.523 1.00 45.10 H new ATOM 0 HG2 GLN A 47 -23.141 13.625 -15.397 1.00 14.05 H new ATOM 0 HG3 GLN A 47 -23.688 12.015 -14.973 1.00 14.05 H new ATOM 0 HE21 GLN A 47 -26.370 12.038 -15.591 1.00 52.14 H new ATOM 0 HE22 GLN A 47 -26.582 12.301 -17.325 1.00 52.14 H new ATOM 416 N ALA A 48 -24.251 16.607 -14.179 1.00 52.42 N ATOM 417 CA ALA A 48 -23.789 17.803 -14.873 1.00 2.23 C ATOM 418 C ALA A 48 -22.668 18.488 -14.098 1.00 41.03 C ATOM 419 O ALA A 48 -21.761 19.077 -14.689 1.00 30.44 O ATOM 420 CB ALA A 48 -24.946 18.766 -15.093 1.00 1.43 C ATOM 0 H ALA A 48 -25.250 16.597 -13.975 1.00 52.42 H new ATOM 0 HA ALA A 48 -23.393 17.501 -15.843 1.00 2.23 H new ATOM 0 HB1 ALA A 48 -24.586 19.654 -15.612 1.00 1.43 H new ATOM 0 HB2 ALA A 48 -25.714 18.280 -15.695 1.00 1.43 H new ATOM 0 HB3 ALA A 48 -25.368 19.054 -14.130 1.00 1.43 H new ATOM 426 N LEU A 49 -22.736 18.408 -12.774 1.00 1.50 N ATOM 427 CA LEU A 49 -21.726 19.022 -11.918 1.00 33.42 C ATOM 428 C LEU A 49 -20.413 18.249 -11.986 1.00 2.14 C ATOM 429 O LEU A 49 -19.348 18.831 -12.197 1.00 0.10 O ATOM 430 CB LEU A 49 -22.223 19.080 -10.472 1.00 43.41 C ATOM 431 CG LEU A 49 -22.374 20.478 -9.871 1.00 3.04 C ATOM 432 CD1 LEU A 49 -21.090 21.275 -10.044 1.00 55.42 C ATOM 433 CD2 LEU A 49 -23.548 21.208 -10.506 1.00 43.24 C ATOM 0 H LEU A 49 -23.479 17.924 -12.270 1.00 1.50 H new ATOM 0 HA LEU A 49 -21.548 20.036 -12.276 1.00 33.42 H new ATOM 0 HB2 LEU A 49 -23.189 18.578 -10.420 1.00 43.41 H new ATOM 0 HB3 LEU A 49 -21.534 18.511 -9.849 1.00 43.41 H new ATOM 0 HG LEU A 49 -22.572 20.375 -8.804 1.00 3.04 H new ATOM 0 HD11 LEU A 49 -21.216 22.267 -9.610 1.00 55.42 H new ATOM 0 HD12 LEU A 49 -20.272 20.760 -9.540 1.00 55.42 H new ATOM 0 HD13 LEU A 49 -20.861 21.370 -11.105 1.00 55.42 H new ATOM 0 HD21 LEU A 49 -23.640 22.201 -10.066 1.00 43.24 H new ATOM 0 HD22 LEU A 49 -23.381 21.301 -11.579 1.00 43.24 H new ATOM 0 HD23 LEU A 49 -24.465 20.646 -10.328 1.00 43.24 H new ATOM 445 N LEU A 50 -20.495 16.935 -11.807 1.00 14.40 N ATOM 446 CA LEU A 50 -19.313 16.082 -11.850 1.00 74.51 C ATOM 447 C LEU A 50 -18.551 16.273 -13.157 1.00 62.22 C ATOM 448 O LEU A 50 -17.330 16.119 -13.204 1.00 11.33 O ATOM 449 CB LEU A 50 -19.714 14.614 -11.690 1.00 60.12 C ATOM 450 CG LEU A 50 -20.264 14.214 -10.321 1.00 22.43 C ATOM 451 CD1 LEU A 50 -20.630 12.738 -10.303 1.00 24.41 C ATOM 452 CD2 LEU A 50 -19.253 14.528 -9.228 1.00 23.45 C ATOM 0 H LEU A 50 -21.368 16.437 -11.631 1.00 14.40 H new ATOM 0 HA LEU A 50 -18.659 16.366 -11.025 1.00 74.51 H new ATOM 0 HB2 LEU A 50 -20.465 14.379 -12.444 1.00 60.12 H new ATOM 0 HB3 LEU A 50 -18.843 13.995 -11.904 1.00 60.12 H new ATOM 0 HG LEU A 50 -21.167 14.793 -10.130 1.00 22.43 H new ATOM 0 HD11 LEU A 50 -21.020 12.472 -9.320 1.00 24.41 H new ATOM 0 HD12 LEU A 50 -21.390 12.542 -11.060 1.00 24.41 H new ATOM 0 HD13 LEU A 50 -19.743 12.141 -10.516 1.00 24.41 H new ATOM 0 HD21 LEU A 50 -19.661 14.237 -8.260 1.00 23.45 H new ATOM 0 HD22 LEU A 50 -18.332 13.975 -9.415 1.00 23.45 H new ATOM 0 HD23 LEU A 50 -19.040 15.597 -9.225 1.00 23.45 H new ATOM 464 N TYR A 51 -19.278 16.611 -14.216 1.00 70.31 N ATOM 465 CA TYR A 51 -18.670 16.823 -15.524 1.00 53.14 C ATOM 466 C TYR A 51 -17.895 18.137 -15.558 1.00 71.32 C ATOM 467 O TYR A 51 -16.755 18.186 -16.018 1.00 63.40 O ATOM 468 CB TYR A 51 -19.743 16.823 -16.615 1.00 13.15 C ATOM 469 CG TYR A 51 -19.189 16.646 -18.010 1.00 22.00 C ATOM 470 CD1 TYR A 51 -18.372 17.614 -18.582 1.00 32.10 C ATOM 471 CD2 TYR A 51 -19.482 15.512 -18.757 1.00 30.22 C ATOM 472 CE1 TYR A 51 -17.864 17.457 -19.857 1.00 23.11 C ATOM 473 CE2 TYR A 51 -18.977 15.346 -20.032 1.00 22.33 C ATOM 474 CZ TYR A 51 -18.168 16.321 -20.577 1.00 75.05 C ATOM 475 OH TYR A 51 -17.664 16.160 -21.848 1.00 34.13 O ATOM 0 H TYR A 51 -20.289 16.744 -14.194 1.00 70.31 H new ATOM 0 HA TYR A 51 -17.973 16.006 -15.709 1.00 53.14 H new ATOM 0 HB2 TYR A 51 -20.455 16.023 -16.412 1.00 13.15 H new ATOM 0 HB3 TYR A 51 -20.296 17.761 -16.569 1.00 13.15 H new ATOM 0 HD1 TYR A 51 -18.130 18.504 -18.020 1.00 32.10 H new ATOM 0 HD2 TYR A 51 -20.116 14.747 -18.334 1.00 30.22 H new ATOM 0 HE1 TYR A 51 -17.232 18.220 -20.287 1.00 23.11 H new ATOM 0 HE2 TYR A 51 -19.214 14.458 -20.599 1.00 22.33 H new ATOM 0 HH TYR A 51 -17.972 15.306 -22.216 1.00 34.13 H new ATOM 485 N ALA A 52 -18.523 19.200 -15.067 1.00 34.31 N ATOM 486 CA ALA A 52 -17.893 20.514 -15.038 1.00 32.34 C ATOM 487 C ALA A 52 -16.510 20.445 -14.400 1.00 1.03 C ATOM 488 O ALA A 52 -15.520 20.879 -14.991 1.00 31.22 O ATOM 489 CB ALA A 52 -18.773 21.504 -14.290 1.00 1.45 C ATOM 0 H ALA A 52 -19.468 19.177 -14.684 1.00 34.31 H new ATOM 0 HA ALA A 52 -17.773 20.856 -16.066 1.00 32.34 H new ATOM 0 HB1 ALA A 52 -18.290 22.481 -14.276 1.00 1.45 H new ATOM 0 HB2 ALA A 52 -19.738 21.583 -14.790 1.00 1.45 H new ATOM 0 HB3 ALA A 52 -18.922 21.158 -13.267 1.00 1.45 H new ATOM 495 N LEU A 53 -16.448 19.899 -13.191 1.00 23.55 N ATOM 496 CA LEU A 53 -15.185 19.774 -12.471 1.00 64.44 C ATOM 497 C LEU A 53 -14.221 18.858 -13.219 1.00 23.11 C ATOM 498 O LEU A 53 -13.018 19.114 -13.268 1.00 21.42 O ATOM 499 CB LEU A 53 -15.429 19.234 -11.061 1.00 72.53 C ATOM 500 CG LEU A 53 -16.535 19.923 -10.261 1.00 23.12 C ATOM 501 CD1 LEU A 53 -16.833 19.149 -8.986 1.00 61.22 C ATOM 502 CD2 LEU A 53 -16.143 21.357 -9.937 1.00 11.24 C ATOM 0 H LEU A 53 -17.258 19.536 -12.688 1.00 23.55 H new ATOM 0 HA LEU A 53 -14.736 20.765 -12.400 1.00 64.44 H new ATOM 0 HB2 LEU A 53 -15.669 18.173 -11.136 1.00 72.53 H new ATOM 0 HB3 LEU A 53 -14.499 19.311 -10.498 1.00 72.53 H new ATOM 0 HG LEU A 53 -17.439 19.943 -10.869 1.00 23.12 H new ATOM 0 HD11 LEU A 53 -17.623 19.654 -8.430 1.00 61.22 H new ATOM 0 HD12 LEU A 53 -17.157 18.140 -9.240 1.00 61.22 H new ATOM 0 HD13 LEU A 53 -15.933 19.097 -8.373 1.00 61.22 H new ATOM 0 HD21 LEU A 53 -16.941 21.833 -9.367 1.00 11.24 H new ATOM 0 HD22 LEU A 53 -15.226 21.359 -9.348 1.00 11.24 H new ATOM 0 HD23 LEU A 53 -15.980 21.908 -10.863 1.00 11.24 H new ATOM 514 N ALA A 54 -14.758 17.791 -13.802 1.00 1.13 N ATOM 515 CA ALA A 54 -13.946 16.840 -14.551 1.00 32.24 C ATOM 516 C ALA A 54 -13.256 17.516 -15.730 1.00 50.12 C ATOM 517 O ALA A 54 -12.039 17.421 -15.887 1.00 41.13 O ATOM 518 CB ALA A 54 -14.804 15.679 -15.033 1.00 3.21 C ATOM 0 H ALA A 54 -15.752 17.564 -13.770 1.00 1.13 H new ATOM 0 HA ALA A 54 -13.174 16.455 -13.885 1.00 32.24 H new ATOM 0 HB1 ALA A 54 -14.185 14.976 -15.591 1.00 3.21 H new ATOM 0 HB2 ALA A 54 -15.245 15.172 -14.175 1.00 3.21 H new ATOM 0 HB3 ALA A 54 -15.597 16.056 -15.679 1.00 3.21 H new ATOM 524 N SER A 55 -14.041 18.198 -16.558 1.00 14.44 N ATOM 525 CA SER A 55 -13.506 18.887 -17.726 1.00 61.01 C ATOM 526 C SER A 55 -12.443 19.903 -17.318 1.00 60.34 C ATOM 527 O SER A 55 -11.499 20.163 -18.064 1.00 41.12 O ATOM 528 CB SER A 55 -14.630 19.588 -18.491 1.00 73.21 C ATOM 529 OG SER A 55 -14.189 20.823 -19.028 1.00 71.44 O ATOM 0 H SER A 55 -15.050 18.288 -16.441 1.00 14.44 H new ATOM 0 HA SER A 55 -13.043 18.143 -18.375 1.00 61.01 H new ATOM 0 HB2 SER A 55 -14.983 18.943 -19.296 1.00 73.21 H new ATOM 0 HB3 SER A 55 -15.476 19.759 -17.825 1.00 73.21 H new ATOM 0 HG SER A 55 -14.925 21.250 -19.513 1.00 71.44 H new ATOM 535 N SER A 56 -12.604 20.473 -16.129 1.00 12.42 N ATOM 536 CA SER A 56 -11.661 21.464 -15.622 1.00 75.30 C ATOM 537 C SER A 56 -10.254 20.881 -15.538 1.00 60.14 C ATOM 538 O SER A 56 -9.267 21.615 -15.532 1.00 43.51 O ATOM 539 CB SER A 56 -12.103 21.961 -14.244 1.00 23.50 C ATOM 540 OG SER A 56 -11.971 23.368 -14.143 1.00 21.21 O ATOM 0 H SER A 56 -13.378 20.266 -15.498 1.00 12.42 H new ATOM 0 HA SER A 56 -11.646 22.305 -16.316 1.00 75.30 H new ATOM 0 HB2 SER A 56 -13.140 21.676 -14.067 1.00 23.50 H new ATOM 0 HB3 SER A 56 -11.504 21.480 -13.471 1.00 23.50 H new ATOM 0 HG SER A 56 -12.261 23.661 -13.254 1.00 21.21 H new ATOM 546 N GLN A 57 -10.172 19.556 -15.474 1.00 61.12 N ATOM 547 CA GLN A 57 -8.886 18.874 -15.390 1.00 62.12 C ATOM 548 C GLN A 57 -8.606 18.081 -16.663 1.00 3.43 C ATOM 549 O GLN A 57 -7.790 18.485 -17.490 1.00 70.05 O ATOM 550 CB GLN A 57 -8.857 17.942 -14.178 1.00 34.42 C ATOM 551 CG GLN A 57 -8.938 18.672 -12.847 1.00 31.41 C ATOM 552 CD GLN A 57 -7.589 19.179 -12.377 1.00 51.41 C ATOM 553 OE1 GLN A 57 -7.436 20.357 -12.050 1.00 65.34 O ATOM 554 NE2 GLN A 57 -6.602 18.292 -12.340 1.00 72.14 N ATOM 0 H GLN A 57 -10.980 18.934 -15.479 1.00 61.12 H new ATOM 0 HA GLN A 57 -8.109 19.630 -15.276 1.00 62.12 H new ATOM 0 HB2 GLN A 57 -9.688 17.241 -14.249 1.00 34.42 H new ATOM 0 HB3 GLN A 57 -7.940 17.353 -14.205 1.00 34.42 H new ATOM 0 HG2 GLN A 57 -9.626 19.513 -12.939 1.00 31.41 H new ATOM 0 HG3 GLN A 57 -9.353 18.002 -12.094 1.00 31.41 H new ATOM 0 HE21 GLN A 57 -6.773 17.326 -12.620 1.00 72.14 H new ATOM 0 HE22 GLN A 57 -5.672 18.576 -12.032 1.00 72.14 H new ATOM 563 N GLY A 58 -9.288 16.950 -16.812 1.00 31.12 N ATOM 564 CA GLY A 58 -9.098 16.118 -17.986 1.00 11.32 C ATOM 565 C GLY A 58 -10.375 15.940 -18.783 1.00 41.32 C ATOM 566 O GLY A 58 -11.441 16.400 -18.372 1.00 64.31 O ATOM 0 H GLY A 58 -9.969 16.595 -16.141 1.00 31.12 H new ATOM 0 HA2 GLY A 58 -8.334 16.564 -18.624 1.00 11.32 H new ATOM 0 HA3 GLY A 58 -8.726 15.141 -17.679 1.00 11.32 H new ATOM 570 N ASP A 59 -10.268 15.274 -19.927 1.00 60.51 N ATOM 571 CA ASP A 59 -11.423 15.037 -20.785 1.00 33.52 C ATOM 572 C ASP A 59 -12.259 13.873 -20.262 1.00 20.55 C ATOM 573 O ASP A 59 -11.721 12.888 -19.754 1.00 44.21 O ATOM 574 CB ASP A 59 -10.971 14.752 -22.218 1.00 55.42 C ATOM 575 CG ASP A 59 -11.144 15.953 -23.128 1.00 62.42 C ATOM 576 OD1 ASP A 59 -12.301 16.368 -23.350 1.00 4.43 O ATOM 577 OD2 ASP A 59 -10.122 16.477 -23.618 1.00 61.43 O ATOM 0 H ASP A 59 -9.393 14.888 -20.282 1.00 60.51 H new ATOM 0 HA ASP A 59 -12.039 15.936 -20.778 1.00 33.52 H new ATOM 0 HB2 ASP A 59 -9.923 14.451 -22.213 1.00 55.42 H new ATOM 0 HB3 ASP A 59 -11.541 13.913 -22.616 1.00 55.42 H new ATOM 582 N ILE A 60 -13.576 13.993 -20.388 1.00 32.25 N ATOM 583 CA ILE A 60 -14.485 12.951 -19.927 1.00 75.33 C ATOM 584 C ILE A 60 -15.059 12.164 -21.101 1.00 11.11 C ATOM 585 O ILE A 60 -15.489 12.743 -22.100 1.00 32.24 O ATOM 586 CB ILE A 60 -15.645 13.540 -19.103 1.00 33.54 C ATOM 587 CG1 ILE A 60 -15.102 14.375 -17.942 1.00 3.12 C ATOM 588 CG2 ILE A 60 -16.546 12.427 -18.586 1.00 3.42 C ATOM 589 CD1 ILE A 60 -15.038 15.856 -18.241 1.00 53.43 C ATOM 0 H ILE A 60 -14.037 14.801 -20.805 1.00 32.25 H new ATOM 0 HA ILE A 60 -13.903 12.282 -19.293 1.00 75.33 H new ATOM 0 HB ILE A 60 -16.236 14.190 -19.748 1.00 33.54 H new ATOM 0 HG12 ILE A 60 -15.731 14.216 -17.066 1.00 3.12 H new ATOM 0 HG13 ILE A 60 -14.103 14.021 -17.686 1.00 3.12 H new ATOM 0 HG21 ILE A 60 -17.361 12.859 -18.005 1.00 3.42 H new ATOM 0 HG22 ILE A 60 -16.956 11.870 -19.428 1.00 3.42 H new ATOM 0 HG23 ILE A 60 -15.967 11.754 -17.953 1.00 3.42 H new ATOM 0 HD11 ILE A 60 -14.644 16.386 -17.374 1.00 53.43 H new ATOM 0 HD12 ILE A 60 -14.386 16.026 -19.098 1.00 53.43 H new ATOM 0 HD13 ILE A 60 -16.038 16.225 -18.468 1.00 53.43 H new ATOM 601 N LEU A 61 -15.064 10.842 -20.973 1.00 73.25 N ATOM 602 CA LEU A 61 -15.587 9.974 -22.023 1.00 54.00 C ATOM 603 C LEU A 61 -17.001 9.507 -21.689 1.00 44.04 C ATOM 604 O LEU A 61 -17.789 9.196 -22.582 1.00 71.51 O ATOM 605 CB LEU A 61 -14.671 8.765 -22.216 1.00 63.22 C ATOM 606 CG LEU A 61 -13.170 9.034 -22.098 1.00 52.44 C ATOM 607 CD1 LEU A 61 -12.375 7.784 -22.441 1.00 3.25 C ATOM 608 CD2 LEU A 61 -12.764 10.191 -23.000 1.00 63.22 C ATOM 0 H LEU A 61 -14.712 10.347 -20.153 1.00 73.25 H new ATOM 0 HA LEU A 61 -15.622 10.547 -22.950 1.00 54.00 H new ATOM 0 HB2 LEU A 61 -14.943 8.007 -21.481 1.00 63.22 H new ATOM 0 HB3 LEU A 61 -14.867 8.339 -23.200 1.00 63.22 H new ATOM 0 HG LEU A 61 -12.949 9.308 -21.066 1.00 52.44 H new ATOM 0 HD11 LEU A 61 -11.309 7.995 -22.352 1.00 3.25 H new ATOM 0 HD12 LEU A 61 -12.645 6.981 -21.755 1.00 3.25 H new ATOM 0 HD13 LEU A 61 -12.600 7.479 -23.463 1.00 3.25 H new ATOM 0 HD21 LEU A 61 -11.693 10.369 -22.904 1.00 63.22 H new ATOM 0 HD22 LEU A 61 -12.999 9.945 -24.035 1.00 63.22 H new ATOM 0 HD23 LEU A 61 -13.309 11.089 -22.708 1.00 63.22 H new ATOM 620 N ASP A 62 -17.314 9.463 -20.399 1.00 73.03 N ATOM 621 CA ASP A 62 -18.634 9.037 -19.947 1.00 41.34 C ATOM 622 C ASP A 62 -18.726 9.078 -18.425 1.00 71.52 C ATOM 623 O ASP A 62 -17.915 8.468 -17.728 1.00 64.43 O ATOM 624 CB ASP A 62 -18.939 7.626 -20.452 1.00 43.11 C ATOM 625 CG ASP A 62 -20.297 7.530 -21.119 1.00 42.51 C ATOM 626 OD1 ASP A 62 -20.504 8.214 -22.144 1.00 34.12 O ATOM 627 OD2 ASP A 62 -21.152 6.772 -20.617 1.00 23.40 O ATOM 0 H ASP A 62 -16.672 9.717 -19.648 1.00 73.03 H new ATOM 0 HA ASP A 62 -19.372 9.727 -20.356 1.00 41.34 H new ATOM 0 HB2 ASP A 62 -18.168 7.322 -21.160 1.00 43.11 H new ATOM 0 HB3 ASP A 62 -18.898 6.927 -19.616 1.00 43.11 H new ATOM 632 N ILE A 63 -19.718 9.800 -17.917 1.00 35.04 N ATOM 633 CA ILE A 63 -19.916 9.919 -16.477 1.00 50.44 C ATOM 634 C ILE A 63 -21.100 9.078 -16.013 1.00 52.14 C ATOM 635 O ILE A 63 -22.250 9.367 -16.347 1.00 4.35 O ATOM 636 CB ILE A 63 -20.146 11.384 -16.060 1.00 74.13 C ATOM 637 CG1 ILE A 63 -18.990 12.262 -16.542 1.00 2.21 C ATOM 638 CG2 ILE A 63 -20.303 11.486 -14.551 1.00 13.35 C ATOM 639 CD1 ILE A 63 -19.125 13.714 -16.138 1.00 64.32 C ATOM 0 H ILE A 63 -20.397 10.312 -18.480 1.00 35.04 H new ATOM 0 HA ILE A 63 -19.006 9.553 -16.002 1.00 50.44 H new ATOM 0 HB ILE A 63 -21.065 11.739 -16.526 1.00 74.13 H new ATOM 0 HG12 ILE A 63 -18.055 11.868 -16.144 1.00 2.21 H new ATOM 0 HG13 ILE A 63 -18.926 12.200 -17.628 1.00 2.21 H new ATOM 0 HG21 ILE A 63 -20.465 12.527 -14.272 1.00 13.35 H new ATOM 0 HG22 ILE A 63 -21.157 10.888 -14.233 1.00 13.35 H new ATOM 0 HG23 ILE A 63 -19.400 11.116 -14.065 1.00 13.35 H new ATOM 0 HD11 ILE A 63 -18.271 14.277 -16.513 1.00 64.32 H new ATOM 0 HD12 ILE A 63 -20.043 14.125 -16.558 1.00 64.32 H new ATOM 0 HD13 ILE A 63 -19.159 13.788 -15.051 1.00 64.32 H new ATOM 651 N VAL A 64 -20.812 8.036 -15.240 1.00 60.35 N ATOM 652 CA VAL A 64 -21.853 7.153 -14.727 1.00 51.34 C ATOM 653 C VAL A 64 -22.238 7.529 -13.301 1.00 55.31 C ATOM 654 O VAL A 64 -21.405 7.995 -12.523 1.00 72.54 O ATOM 655 CB VAL A 64 -21.404 5.680 -14.755 1.00 11.22 C ATOM 656 CG1 VAL A 64 -22.538 4.768 -14.312 1.00 62.00 C ATOM 657 CG2 VAL A 64 -20.913 5.299 -16.143 1.00 53.03 C ATOM 0 H VAL A 64 -19.866 7.782 -14.955 1.00 60.35 H new ATOM 0 HA VAL A 64 -22.719 7.273 -15.378 1.00 51.34 H new ATOM 0 HB VAL A 64 -20.577 5.557 -14.056 1.00 11.22 H new ATOM 0 HG11 VAL A 64 -22.202 3.731 -14.338 1.00 62.00 H new ATOM 0 HG12 VAL A 64 -22.838 5.027 -13.297 1.00 62.00 H new ATOM 0 HG13 VAL A 64 -23.388 4.891 -14.984 1.00 62.00 H new ATOM 0 HG21 VAL A 64 -20.600 4.255 -16.144 1.00 53.03 H new ATOM 0 HG22 VAL A 64 -21.718 5.437 -16.864 1.00 53.03 H new ATOM 0 HG23 VAL A 64 -20.068 5.931 -16.417 1.00 53.03 H new ATOM 667 N VAL A 65 -23.508 7.324 -12.963 1.00 43.22 N ATOM 668 CA VAL A 65 -24.004 7.640 -11.629 1.00 53.03 C ATOM 669 C VAL A 65 -25.032 6.612 -11.168 1.00 4.52 C ATOM 670 O VAL A 65 -25.924 6.229 -11.924 1.00 14.30 O ATOM 671 CB VAL A 65 -24.641 9.042 -11.585 1.00 22.13 C ATOM 672 CG1 VAL A 65 -24.978 9.430 -10.153 1.00 52.02 C ATOM 673 CG2 VAL A 65 -23.714 10.068 -12.220 1.00 32.33 C ATOM 0 H VAL A 65 -24.211 6.941 -13.595 1.00 43.22 H new ATOM 0 HA VAL A 65 -23.145 7.618 -10.958 1.00 53.03 H new ATOM 0 HB VAL A 65 -25.568 9.020 -12.158 1.00 22.13 H new ATOM 0 HG11 VAL A 65 -25.427 10.423 -10.141 1.00 52.02 H new ATOM 0 HG12 VAL A 65 -25.681 8.709 -9.737 1.00 52.02 H new ATOM 0 HG13 VAL A 65 -24.067 9.436 -9.554 1.00 52.02 H new ATOM 0 HG21 VAL A 65 -24.180 11.053 -12.180 1.00 32.33 H new ATOM 0 HG22 VAL A 65 -22.770 10.091 -11.676 1.00 32.33 H new ATOM 0 HG23 VAL A 65 -23.528 9.796 -13.259 1.00 32.33 H new ATOM 683 N ASP A 66 -24.899 6.170 -9.922 1.00 54.32 N ATOM 684 CA ASP A 66 -25.817 5.188 -9.358 1.00 75.42 C ATOM 685 C ASP A 66 -27.239 5.738 -9.308 1.00 12.21 C ATOM 686 O ASP A 66 -27.557 6.728 -9.969 1.00 60.32 O ATOM 687 CB ASP A 66 -25.365 4.782 -7.955 1.00 24.42 C ATOM 688 CG ASP A 66 -25.539 3.298 -7.697 1.00 20.12 C ATOM 689 OD1 ASP A 66 -25.330 2.503 -8.637 1.00 44.13 O ATOM 690 OD2 ASP A 66 -25.884 2.931 -6.554 1.00 41.41 O ATOM 0 H ASP A 66 -24.165 6.476 -9.284 1.00 54.32 H new ATOM 0 HA ASP A 66 -25.809 4.309 -10.002 1.00 75.42 H new ATOM 0 HB2 ASP A 66 -24.317 5.050 -7.822 1.00 24.42 H new ATOM 0 HB3 ASP A 66 -25.934 5.345 -7.216 1.00 24.42 H new ATOM 695 N LEU A 67 -28.091 5.091 -8.521 1.00 33.03 N ATOM 696 CA LEU A 67 -29.480 5.515 -8.385 1.00 35.14 C ATOM 697 C LEU A 67 -29.654 6.433 -7.179 1.00 41.31 C ATOM 698 O LEU A 67 -30.746 6.542 -6.621 1.00 25.22 O ATOM 699 CB LEU A 67 -30.395 4.296 -8.248 1.00 11.54 C ATOM 700 CG LEU A 67 -29.931 3.215 -7.271 1.00 42.13 C ATOM 701 CD1 LEU A 67 -28.924 2.291 -7.938 1.00 70.40 C ATOM 702 CD2 LEU A 67 -29.333 3.846 -6.022 1.00 20.40 C ATOM 0 H LEU A 67 -27.844 4.271 -7.967 1.00 33.03 H new ATOM 0 HA LEU A 67 -29.754 6.069 -9.283 1.00 35.14 H new ATOM 0 HB2 LEU A 67 -31.381 4.640 -7.936 1.00 11.54 H new ATOM 0 HB3 LEU A 67 -30.512 3.842 -9.232 1.00 11.54 H new ATOM 0 HG LEU A 67 -30.797 2.623 -6.975 1.00 42.13 H new ATOM 0 HD11 LEU A 67 -28.605 1.528 -7.228 1.00 70.40 H new ATOM 0 HD12 LEU A 67 -29.386 1.813 -8.802 1.00 70.40 H new ATOM 0 HD13 LEU A 67 -28.059 2.869 -8.263 1.00 70.40 H new ATOM 0 HD21 LEU A 67 -29.008 3.062 -5.338 1.00 20.40 H new ATOM 0 HD22 LEU A 67 -28.478 4.462 -6.300 1.00 20.40 H new ATOM 0 HD23 LEU A 67 -30.084 4.466 -5.533 1.00 20.40 H new ATOM 714 N SER A 68 -28.570 7.094 -6.784 1.00 53.24 N ATOM 715 CA SER A 68 -28.602 8.003 -5.644 1.00 70.41 C ATOM 716 C SER A 68 -29.278 7.345 -4.445 1.00 12.43 C ATOM 717 O SER A 68 -30.277 7.848 -3.929 1.00 71.51 O ATOM 718 CB SER A 68 -29.336 9.293 -6.014 1.00 4.34 C ATOM 719 OG SER A 68 -30.726 9.065 -6.162 1.00 33.14 O ATOM 0 H SER A 68 -27.659 7.017 -7.237 1.00 53.24 H new ATOM 0 HA SER A 68 -27.574 8.244 -5.373 1.00 70.41 H new ATOM 0 HB2 SER A 68 -29.168 10.045 -5.243 1.00 4.34 H new ATOM 0 HB3 SER A 68 -28.929 9.693 -6.943 1.00 4.34 H new ATOM 0 HG SER A 68 -30.917 8.113 -6.028 1.00 33.14 H new ATOM 725 N ASP A 69 -28.726 6.220 -4.006 1.00 72.51 N ATOM 726 CA ASP A 69 -29.274 5.493 -2.867 1.00 31.42 C ATOM 727 C ASP A 69 -28.917 6.187 -1.556 1.00 53.44 C ATOM 728 O ASP A 69 -27.848 6.784 -1.430 1.00 24.54 O ATOM 729 CB ASP A 69 -28.754 4.054 -2.854 1.00 43.41 C ATOM 730 CG ASP A 69 -29.874 3.033 -2.876 1.00 41.20 C ATOM 731 OD1 ASP A 69 -30.976 3.352 -2.384 1.00 34.20 O ATOM 732 OD2 ASP A 69 -29.648 1.915 -3.385 1.00 20.15 O ATOM 0 H ASP A 69 -27.899 5.791 -4.422 1.00 72.51 H new ATOM 0 HA ASP A 69 -30.359 5.478 -2.966 1.00 31.42 H new ATOM 0 HB2 ASP A 69 -28.106 3.897 -3.717 1.00 43.41 H new ATOM 0 HB3 ASP A 69 -28.143 3.900 -1.965 1.00 43.41 H new ATOM 737 N ASP A 70 -29.820 6.107 -0.585 1.00 52.13 N ATOM 738 CA ASP A 70 -29.601 6.728 0.716 1.00 50.12 C ATOM 739 C ASP A 70 -28.624 5.908 1.552 1.00 62.32 C ATOM 740 O ASP A 70 -28.235 6.314 2.646 1.00 31.30 O ATOM 741 CB ASP A 70 -30.927 6.880 1.462 1.00 14.11 C ATOM 742 CG ASP A 70 -31.629 8.184 1.136 1.00 72.31 C ATOM 743 OD1 ASP A 70 -31.436 8.697 0.014 1.00 55.13 O ATOM 744 OD2 ASP A 70 -32.372 8.690 2.002 1.00 1.15 O ATOM 0 H ASP A 70 -30.711 5.618 -0.674 1.00 52.13 H new ATOM 0 HA ASP A 70 -29.170 7.716 0.552 1.00 50.12 H new ATOM 0 HB2 ASP A 70 -31.581 6.046 1.208 1.00 14.11 H new ATOM 0 HB3 ASP A 70 -30.745 6.827 2.535 1.00 14.11 H new ATOM 749 N ASN A 71 -28.232 4.751 1.028 1.00 23.55 N ATOM 750 CA ASN A 71 -27.301 3.872 1.727 1.00 30.25 C ATOM 751 C ASN A 71 -26.037 3.651 0.902 1.00 71.10 C ATOM 752 O ASN A 71 -25.058 3.083 1.386 1.00 13.25 O ATOM 753 CB ASN A 71 -27.966 2.528 2.031 1.00 14.05 C ATOM 754 CG ASN A 71 -28.604 2.496 3.407 1.00 4.53 C ATOM 755 OD1 ASN A 71 -28.040 1.945 4.352 1.00 24.52 O ATOM 756 ND2 ASN A 71 -29.786 3.090 3.525 1.00 5.25 N ATOM 0 H ASN A 71 -28.544 4.400 0.122 1.00 23.55 H new ATOM 0 HA ASN A 71 -27.022 4.352 2.665 1.00 30.25 H new ATOM 0 HB2 ASN A 71 -28.726 2.323 1.277 1.00 14.05 H new ATOM 0 HB3 ASN A 71 -27.223 1.734 1.960 1.00 14.05 H new ATOM 0 HD21 ASN A 71 -30.263 3.102 4.426 1.00 5.25 H new ATOM 0 HD22 ASN A 71 -30.217 3.535 2.714 1.00 5.25 H new ATOM 763 N SER A 72 -26.066 4.104 -0.347 1.00 50.32 N ATOM 764 CA SER A 72 -24.924 3.954 -1.242 1.00 32.34 C ATOM 765 C SER A 72 -24.404 5.315 -1.692 1.00 42.22 C ATOM 766 O SER A 72 -23.345 5.764 -1.255 1.00 30.52 O ATOM 767 CB SER A 72 -25.312 3.114 -2.461 1.00 5.15 C ATOM 768 OG SER A 72 -24.728 1.824 -2.398 1.00 3.42 O ATOM 0 H SER A 72 -26.868 4.578 -0.763 1.00 50.32 H new ATOM 0 HA SER A 72 -24.130 3.444 -0.696 1.00 32.34 H new ATOM 0 HB2 SER A 72 -26.397 3.023 -2.514 1.00 5.15 H new ATOM 0 HB3 SER A 72 -24.990 3.619 -3.372 1.00 5.15 H new ATOM 0 HG SER A 72 -24.992 1.306 -3.187 1.00 3.42 H new ATOM 774 N GLY A 73 -25.158 5.969 -2.571 1.00 62.32 N ATOM 775 CA GLY A 73 -24.757 7.272 -3.068 1.00 14.34 C ATOM 776 C GLY A 73 -23.334 7.283 -3.587 1.00 65.43 C ATOM 777 O GLY A 73 -22.396 7.577 -2.846 1.00 23.22 O ATOM 0 H GLY A 73 -26.039 5.619 -2.947 1.00 62.32 H new ATOM 0 HA2 GLY A 73 -25.434 7.577 -3.866 1.00 14.34 H new ATOM 0 HA3 GLY A 73 -24.855 8.007 -2.269 1.00 14.34 H new ATOM 781 N LYS A 74 -23.170 6.959 -4.865 1.00 64.25 N ATOM 782 CA LYS A 74 -21.850 6.931 -5.485 1.00 60.01 C ATOM 783 C LYS A 74 -21.948 7.188 -6.985 1.00 42.43 C ATOM 784 O LYS A 74 -23.040 7.368 -7.524 1.00 23.51 O ATOM 785 CB LYS A 74 -21.173 5.582 -5.231 1.00 51.14 C ATOM 786 CG LYS A 74 -21.917 4.405 -5.837 1.00 33.30 C ATOM 787 CD LYS A 74 -22.030 3.251 -4.854 1.00 52.23 C ATOM 788 CE LYS A 74 -21.018 2.158 -5.160 1.00 32.42 C ATOM 789 NZ LYS A 74 -21.363 0.877 -4.482 1.00 54.41 N ATOM 0 H LYS A 74 -23.935 6.712 -5.492 1.00 64.25 H new ATOM 0 HA LYS A 74 -21.249 7.722 -5.037 1.00 60.01 H new ATOM 0 HB2 LYS A 74 -20.162 5.610 -5.637 1.00 51.14 H new ATOM 0 HB3 LYS A 74 -21.080 5.428 -4.156 1.00 51.14 H new ATOM 0 HG2 LYS A 74 -22.914 4.722 -6.143 1.00 33.30 H new ATOM 0 HG3 LYS A 74 -21.399 4.070 -6.735 1.00 33.30 H new ATOM 0 HD2 LYS A 74 -21.874 3.619 -3.840 1.00 52.23 H new ATOM 0 HD3 LYS A 74 -23.037 2.837 -4.892 1.00 52.23 H new ATOM 0 HE2 LYS A 74 -20.971 1.998 -6.237 1.00 32.42 H new ATOM 0 HE3 LYS A 74 -20.027 2.482 -4.842 1.00 32.42 H new ATOM 0 HZ1 LYS A 74 -20.649 0.157 -4.716 1.00 54.41 H new ATOM 0 HZ2 LYS A 74 -21.383 1.023 -3.453 1.00 54.41 H new ATOM 0 HZ3 LYS A 74 -22.298 0.555 -4.804 1.00 54.41 H new ATOM 803 N ALA A 75 -20.800 7.204 -7.655 1.00 3.15 N ATOM 804 CA ALA A 75 -20.757 7.436 -9.093 1.00 30.10 C ATOM 805 C ALA A 75 -19.378 7.116 -9.660 1.00 0.21 C ATOM 806 O ALA A 75 -18.466 6.738 -8.924 1.00 71.31 O ATOM 807 CB ALA A 75 -21.138 8.875 -9.407 1.00 74.12 C ATOM 0 H ALA A 75 -19.887 7.059 -7.224 1.00 3.15 H new ATOM 0 HA ALA A 75 -21.479 6.769 -9.565 1.00 30.10 H new ATOM 0 HB1 ALA A 75 -21.102 9.034 -10.485 1.00 74.12 H new ATOM 0 HB2 ALA A 75 -22.147 9.071 -9.045 1.00 74.12 H new ATOM 0 HB3 ALA A 75 -20.438 9.552 -8.916 1.00 74.12 H new ATOM 813 N TYR A 76 -19.233 7.270 -10.971 1.00 45.02 N ATOM 814 CA TYR A 76 -17.965 6.995 -11.637 1.00 60.51 C ATOM 815 C TYR A 76 -17.740 7.957 -12.799 1.00 63.23 C ATOM 816 O TYR A 76 -18.596 8.105 -13.672 1.00 20.02 O ATOM 817 CB TYR A 76 -17.933 5.551 -12.142 1.00 54.01 C ATOM 818 CG TYR A 76 -18.623 4.572 -11.220 1.00 34.42 C ATOM 819 CD1 TYR A 76 -19.994 4.360 -11.298 1.00 53.34 C ATOM 820 CD2 TYR A 76 -17.904 3.857 -10.270 1.00 62.42 C ATOM 821 CE1 TYR A 76 -20.629 3.467 -10.457 1.00 62.02 C ATOM 822 CE2 TYR A 76 -18.530 2.960 -9.426 1.00 3.03 C ATOM 823 CZ TYR A 76 -19.892 2.769 -9.523 1.00 13.22 C ATOM 824 OH TYR A 76 -20.520 1.877 -8.684 1.00 14.31 O ATOM 0 H TYR A 76 -19.977 7.584 -11.594 1.00 45.02 H new ATOM 0 HA TYR A 76 -17.164 7.137 -10.911 1.00 60.51 H new ATOM 0 HB2 TYR A 76 -18.405 5.508 -13.123 1.00 54.01 H new ATOM 0 HB3 TYR A 76 -16.895 5.244 -12.274 1.00 54.01 H new ATOM 0 HD1 TYR A 76 -20.574 4.903 -12.030 1.00 53.34 H new ATOM 0 HD2 TYR A 76 -16.837 4.005 -10.190 1.00 62.42 H new ATOM 0 HE1 TYR A 76 -21.696 3.316 -10.530 1.00 62.02 H new ATOM 0 HE2 TYR A 76 -17.956 2.411 -8.694 1.00 3.03 H new ATOM 0 HH TYR A 76 -19.859 1.468 -8.087 1.00 14.31 H new ATOM 834 N ILE A 77 -16.581 8.608 -12.804 1.00 34.23 N ATOM 835 CA ILE A 77 -16.242 9.554 -13.859 1.00 2.53 C ATOM 836 C ILE A 77 -15.152 8.997 -14.768 1.00 20.31 C ATOM 837 O ILE A 77 -13.983 8.935 -14.388 1.00 23.23 O ATOM 838 CB ILE A 77 -15.770 10.900 -13.277 1.00 53.41 C ATOM 839 CG1 ILE A 77 -16.750 11.390 -12.209 1.00 11.41 C ATOM 840 CG2 ILE A 77 -15.625 11.934 -14.384 1.00 65.20 C ATOM 841 CD1 ILE A 77 -16.364 12.720 -11.600 1.00 14.23 C ATOM 0 H ILE A 77 -15.862 8.497 -12.089 1.00 34.23 H new ATOM 0 HA ILE A 77 -17.149 9.716 -14.441 1.00 2.53 H new ATOM 0 HB ILE A 77 -14.795 10.756 -12.811 1.00 53.41 H new ATOM 0 HG12 ILE A 77 -17.743 11.476 -12.650 1.00 11.41 H new ATOM 0 HG13 ILE A 77 -16.816 10.643 -11.418 1.00 11.41 H new ATOM 0 HG21 ILE A 77 -15.291 12.880 -13.957 1.00 65.20 H new ATOM 0 HG22 ILE A 77 -14.893 11.586 -15.113 1.00 65.20 H new ATOM 0 HG23 ILE A 77 -16.587 12.078 -14.876 1.00 65.20 H new ATOM 0 HD11 ILE A 77 -17.103 13.006 -10.851 1.00 14.23 H new ATOM 0 HD12 ILE A 77 -15.385 12.634 -11.129 1.00 14.23 H new ATOM 0 HD13 ILE A 77 -16.326 13.480 -12.380 1.00 14.23 H new ATOM 853 N VAL A 78 -15.543 8.593 -15.972 1.00 71.24 N ATOM 854 CA VAL A 78 -14.599 8.043 -16.938 1.00 73.31 C ATOM 855 C VAL A 78 -13.853 9.152 -17.670 1.00 42.13 C ATOM 856 O VAL A 78 -14.465 10.044 -18.259 1.00 31.51 O ATOM 857 CB VAL A 78 -15.311 7.149 -17.971 1.00 65.14 C ATOM 858 CG1 VAL A 78 -14.294 6.424 -18.840 1.00 40.24 C ATOM 859 CG2 VAL A 78 -16.231 6.158 -17.275 1.00 10.45 C ATOM 0 H VAL A 78 -16.507 8.636 -16.302 1.00 71.24 H new ATOM 0 HA VAL A 78 -13.886 7.440 -16.376 1.00 73.31 H new ATOM 0 HB VAL A 78 -15.919 7.783 -18.616 1.00 65.14 H new ATOM 0 HG11 VAL A 78 -14.815 5.797 -19.564 1.00 40.24 H new ATOM 0 HG12 VAL A 78 -13.680 7.154 -19.368 1.00 40.24 H new ATOM 0 HG13 VAL A 78 -13.657 5.801 -18.212 1.00 40.24 H new ATOM 0 HG21 VAL A 78 -16.725 5.535 -18.020 1.00 10.45 H new ATOM 0 HG22 VAL A 78 -15.646 5.527 -16.605 1.00 10.45 H new ATOM 0 HG23 VAL A 78 -16.982 6.700 -16.700 1.00 10.45 H new ATOM 869 N PHE A 79 -12.526 9.091 -17.630 1.00 41.32 N ATOM 870 CA PHE A 79 -11.694 10.091 -18.290 1.00 15.43 C ATOM 871 C PHE A 79 -11.004 9.502 -19.516 1.00 23.42 C ATOM 872 O PHE A 79 -11.155 8.318 -19.817 1.00 51.25 O ATOM 873 CB PHE A 79 -10.649 10.639 -17.316 1.00 13.23 C ATOM 874 CG PHE A 79 -11.212 11.607 -16.315 1.00 10.42 C ATOM 875 CD1 PHE A 79 -11.340 12.951 -16.627 1.00 42.21 C ATOM 876 CD2 PHE A 79 -11.613 11.174 -15.061 1.00 63.32 C ATOM 877 CE1 PHE A 79 -11.858 13.845 -15.708 1.00 64.24 C ATOM 878 CE2 PHE A 79 -12.131 12.063 -14.139 1.00 35.52 C ATOM 879 CZ PHE A 79 -12.253 13.400 -14.462 1.00 60.12 C ATOM 0 H PHE A 79 -12.004 8.360 -17.148 1.00 41.32 H new ATOM 0 HA PHE A 79 -12.340 10.906 -18.616 1.00 15.43 H new ATOM 0 HB2 PHE A 79 -10.187 9.807 -16.785 1.00 13.23 H new ATOM 0 HB3 PHE A 79 -9.859 11.133 -17.883 1.00 13.23 H new ATOM 0 HD1 PHE A 79 -11.031 13.305 -17.600 1.00 42.21 H new ATOM 0 HD2 PHE A 79 -11.519 10.130 -14.802 1.00 63.32 H new ATOM 0 HE1 PHE A 79 -11.953 14.890 -15.964 1.00 64.24 H new ATOM 0 HE2 PHE A 79 -12.441 11.712 -13.166 1.00 35.52 H new ATOM 0 HZ PHE A 79 -12.657 14.096 -13.742 1.00 60.12 H new ATOM 889 N ALA A 80 -10.245 10.336 -20.219 1.00 13.20 N ATOM 890 CA ALA A 80 -9.530 9.898 -21.411 1.00 40.31 C ATOM 891 C ALA A 80 -8.507 8.820 -21.072 1.00 61.51 C ATOM 892 O ALA A 80 -8.386 7.819 -21.780 1.00 31.23 O ATOM 893 CB ALA A 80 -8.849 11.082 -22.083 1.00 32.24 C ATOM 0 H ALA A 80 -10.109 11.319 -19.983 1.00 13.20 H new ATOM 0 HA ALA A 80 -10.255 9.469 -22.103 1.00 40.31 H new ATOM 0 HB1 ALA A 80 -8.319 10.740 -22.972 1.00 32.24 H new ATOM 0 HB2 ALA A 80 -9.599 11.819 -22.369 1.00 32.24 H new ATOM 0 HB3 ALA A 80 -8.141 11.536 -21.390 1.00 32.24 H new ATOM 899 N THR A 81 -7.770 9.029 -19.985 1.00 55.23 N ATOM 900 CA THR A 81 -6.756 8.076 -19.554 1.00 32.24 C ATOM 901 C THR A 81 -6.358 8.316 -18.102 1.00 12.11 C ATOM 902 O THR A 81 -6.718 9.334 -17.511 1.00 73.30 O ATOM 903 CB THR A 81 -5.498 8.155 -20.439 1.00 31.42 C ATOM 904 OG1 THR A 81 -5.761 8.959 -21.594 1.00 35.11 O ATOM 905 CG2 THR A 81 -5.053 6.766 -20.872 1.00 75.12 C ATOM 0 H THR A 81 -7.857 9.851 -19.387 1.00 55.23 H new ATOM 0 HA THR A 81 -7.195 7.083 -19.648 1.00 32.24 H new ATOM 0 HB THR A 81 -4.698 8.610 -19.855 1.00 31.42 H new ATOM 0 HG1 THR A 81 -4.956 9.005 -22.151 1.00 35.11 H new ATOM 0 HG21 THR A 81 -4.163 6.847 -21.496 1.00 75.12 H new ATOM 0 HG22 THR A 81 -4.825 6.166 -19.991 1.00 75.12 H new ATOM 0 HG23 THR A 81 -5.852 6.288 -21.440 1.00 75.12 H new ATOM 913 N GLN A 82 -5.613 7.373 -17.534 1.00 11.54 N ATOM 914 CA GLN A 82 -5.166 7.484 -16.150 1.00 54.21 C ATOM 915 C GLN A 82 -4.471 8.820 -15.908 1.00 30.33 C ATOM 916 O GLN A 82 -4.493 9.349 -14.797 1.00 32.41 O ATOM 917 CB GLN A 82 -4.221 6.333 -15.804 1.00 24.04 C ATOM 918 CG GLN A 82 -4.355 5.845 -14.370 1.00 52.41 C ATOM 919 CD GLN A 82 -3.215 6.310 -13.486 1.00 44.11 C ATOM 920 OE1 GLN A 82 -2.624 7.365 -13.719 1.00 24.01 O ATOM 921 NE2 GLN A 82 -2.899 5.523 -12.464 1.00 42.22 N ATOM 0 H GLN A 82 -5.306 6.525 -18.010 1.00 11.54 H new ATOM 0 HA GLN A 82 -6.043 7.430 -15.505 1.00 54.21 H new ATOM 0 HB2 GLN A 82 -4.412 5.501 -16.481 1.00 24.04 H new ATOM 0 HB3 GLN A 82 -3.193 6.654 -15.975 1.00 24.04 H new ATOM 0 HG2 GLN A 82 -5.299 6.200 -13.956 1.00 52.41 H new ATOM 0 HG3 GLN A 82 -4.394 4.756 -14.363 1.00 52.41 H new ATOM 0 HE21 GLN A 82 -3.416 4.657 -12.308 1.00 42.22 H new ATOM 0 HE22 GLN A 82 -2.140 5.784 -11.835 1.00 42.22 H new ATOM 930 N GLU A 83 -3.854 9.359 -16.955 1.00 32.23 N ATOM 931 CA GLU A 83 -3.151 10.632 -16.854 1.00 13.41 C ATOM 932 C GLU A 83 -4.096 11.741 -16.400 1.00 15.04 C ATOM 933 O GLU A 83 -3.803 12.473 -15.454 1.00 60.04 O ATOM 934 CB GLU A 83 -2.524 11.002 -18.200 1.00 22.13 C ATOM 935 CG GLU A 83 -1.037 10.701 -18.281 1.00 23.31 C ATOM 936 CD GLU A 83 -0.464 10.958 -19.661 1.00 70.23 C ATOM 937 OE1 GLU A 83 -1.202 10.775 -20.652 1.00 63.24 O ATOM 938 OE2 GLU A 83 0.721 11.341 -19.751 1.00 12.43 O ATOM 0 H GLU A 83 -3.827 8.934 -17.882 1.00 32.23 H new ATOM 0 HA GLU A 83 -2.361 10.523 -16.110 1.00 13.41 H new ATOM 0 HB2 GLU A 83 -3.040 10.460 -18.993 1.00 22.13 H new ATOM 0 HB3 GLU A 83 -2.682 12.064 -18.385 1.00 22.13 H new ATOM 0 HG2 GLU A 83 -0.506 11.313 -17.552 1.00 23.31 H new ATOM 0 HG3 GLU A 83 -0.866 9.660 -18.009 1.00 23.31 H new ATOM 945 N SER A 84 -5.232 11.858 -17.081 1.00 1.55 N ATOM 946 CA SER A 84 -6.219 12.880 -16.751 1.00 1.03 C ATOM 947 C SER A 84 -6.949 12.532 -15.457 1.00 54.13 C ATOM 948 O SER A 84 -7.127 13.381 -14.584 1.00 62.11 O ATOM 949 CB SER A 84 -7.225 13.034 -17.893 1.00 13.45 C ATOM 950 OG SER A 84 -6.898 14.141 -18.714 1.00 52.55 O ATOM 0 H SER A 84 -5.491 11.258 -17.864 1.00 1.55 H new ATOM 0 HA SER A 84 -5.695 13.825 -16.609 1.00 1.03 H new ATOM 0 HB2 SER A 84 -7.241 12.124 -18.493 1.00 13.45 H new ATOM 0 HB3 SER A 84 -8.227 13.164 -17.484 1.00 13.45 H new ATOM 0 HG SER A 84 -7.555 14.217 -19.437 1.00 52.55 H new ATOM 956 N ALA A 85 -7.371 11.277 -15.343 1.00 30.14 N ATOM 957 CA ALA A 85 -8.081 10.815 -14.156 1.00 65.21 C ATOM 958 C ALA A 85 -7.297 11.135 -12.888 1.00 44.40 C ATOM 959 O ALA A 85 -7.807 11.793 -11.982 1.00 54.10 O ATOM 960 CB ALA A 85 -8.348 9.320 -14.250 1.00 21.11 C ATOM 0 H ALA A 85 -7.234 10.562 -16.058 1.00 30.14 H new ATOM 0 HA ALA A 85 -9.034 11.341 -14.105 1.00 65.21 H new ATOM 0 HB1 ALA A 85 -8.879 8.988 -13.357 1.00 21.11 H new ATOM 0 HB2 ALA A 85 -8.956 9.114 -15.131 1.00 21.11 H new ATOM 0 HB3 ALA A 85 -7.401 8.786 -14.329 1.00 21.11 H new ATOM 966 N GLN A 86 -6.054 10.666 -12.831 1.00 75.21 N ATOM 967 CA GLN A 86 -5.201 10.902 -11.672 1.00 54.15 C ATOM 968 C GLN A 86 -5.055 12.395 -11.399 1.00 55.54 C ATOM 969 O GLN A 86 -4.943 12.818 -10.249 1.00 72.10 O ATOM 970 CB GLN A 86 -3.824 10.275 -11.891 1.00 24.53 C ATOM 971 CG GLN A 86 -2.825 10.603 -10.793 1.00 23.33 C ATOM 972 CD GLN A 86 -1.644 11.408 -11.299 1.00 71.53 C ATOM 973 OE1 GLN A 86 -0.793 10.893 -12.025 1.00 41.02 O ATOM 974 NE2 GLN A 86 -1.587 12.678 -10.918 1.00 45.34 N ATOM 0 H GLN A 86 -5.616 10.121 -13.573 1.00 75.21 H new ATOM 0 HA GLN A 86 -5.671 10.437 -10.805 1.00 54.15 H new ATOM 0 HB2 GLN A 86 -3.933 9.193 -11.960 1.00 24.53 H new ATOM 0 HB3 GLN A 86 -3.426 10.616 -12.847 1.00 24.53 H new ATOM 0 HG2 GLN A 86 -3.329 11.161 -10.004 1.00 23.33 H new ATOM 0 HG3 GLN A 86 -2.464 9.676 -10.347 1.00 23.33 H new ATOM 0 HE21 GLN A 86 -2.315 13.063 -10.316 1.00 45.34 H new ATOM 0 HE22 GLN A 86 -0.816 13.269 -11.228 1.00 45.34 H new ATOM 983 N ALA A 87 -5.058 13.190 -12.465 1.00 24.21 N ATOM 984 CA ALA A 87 -4.927 14.636 -12.340 1.00 11.23 C ATOM 985 C ALA A 87 -6.131 15.236 -11.620 1.00 64.32 C ATOM 986 O ALA A 87 -5.981 16.075 -10.732 1.00 43.33 O ATOM 987 CB ALA A 87 -4.760 15.272 -13.712 1.00 23.31 C ATOM 0 H ALA A 87 -5.150 12.856 -13.424 1.00 24.21 H new ATOM 0 HA ALA A 87 -4.038 14.845 -11.744 1.00 11.23 H new ATOM 0 HB1 ALA A 87 -4.663 16.352 -13.603 1.00 23.31 H new ATOM 0 HB2 ALA A 87 -3.865 14.874 -14.191 1.00 23.31 H new ATOM 0 HB3 ALA A 87 -5.632 15.046 -14.326 1.00 23.31 H new ATOM 993 N PHE A 88 -7.324 14.800 -12.009 1.00 72.13 N ATOM 994 CA PHE A 88 -8.554 15.295 -11.402 1.00 51.12 C ATOM 995 C PHE A 88 -8.744 14.711 -10.005 1.00 54.52 C ATOM 996 O PHE A 88 -9.271 15.373 -9.110 1.00 64.11 O ATOM 997 CB PHE A 88 -9.758 14.947 -12.281 1.00 5.42 C ATOM 998 CG PHE A 88 -11.079 15.181 -11.607 1.00 33.03 C ATOM 999 CD1 PHE A 88 -11.666 14.187 -10.841 1.00 35.04 C ATOM 1000 CD2 PHE A 88 -11.735 16.394 -11.740 1.00 2.44 C ATOM 1001 CE1 PHE A 88 -12.883 14.399 -10.219 1.00 25.34 C ATOM 1002 CE2 PHE A 88 -12.951 16.612 -11.120 1.00 3.14 C ATOM 1003 CZ PHE A 88 -13.526 15.613 -10.359 1.00 61.43 C ATOM 0 H PHE A 88 -7.465 14.105 -12.742 1.00 72.13 H new ATOM 0 HA PHE A 88 -8.477 16.379 -11.316 1.00 51.12 H new ATOM 0 HB2 PHE A 88 -9.715 15.541 -13.194 1.00 5.42 H new ATOM 0 HB3 PHE A 88 -9.691 13.900 -12.578 1.00 5.42 H new ATOM 0 HD1 PHE A 88 -11.168 13.236 -10.728 1.00 35.04 H new ATOM 0 HD2 PHE A 88 -11.291 17.178 -12.335 1.00 2.44 H new ATOM 0 HE1 PHE A 88 -13.330 13.616 -9.624 1.00 25.34 H new ATOM 0 HE2 PHE A 88 -13.451 17.563 -11.231 1.00 3.14 H new ATOM 0 HZ PHE A 88 -14.476 15.781 -9.874 1.00 61.43 H new ATOM 1013 N VAL A 89 -8.313 13.467 -9.826 1.00 43.04 N ATOM 1014 CA VAL A 89 -8.434 12.793 -8.539 1.00 54.12 C ATOM 1015 C VAL A 89 -7.547 13.451 -7.488 1.00 53.04 C ATOM 1016 O VAL A 89 -7.953 13.623 -6.340 1.00 30.15 O ATOM 1017 CB VAL A 89 -8.063 11.302 -8.649 1.00 4.42 C ATOM 1018 CG1 VAL A 89 -8.109 10.638 -7.281 1.00 53.41 C ATOM 1019 CG2 VAL A 89 -8.987 10.594 -9.627 1.00 33.43 C ATOM 0 H VAL A 89 -7.876 12.905 -10.557 1.00 43.04 H new ATOM 0 HA VAL A 89 -9.477 12.878 -8.234 1.00 54.12 H new ATOM 0 HB VAL A 89 -7.044 11.226 -9.029 1.00 4.42 H new ATOM 0 HG11 VAL A 89 -7.844 9.585 -7.378 1.00 53.41 H new ATOM 0 HG12 VAL A 89 -7.401 11.130 -6.614 1.00 53.41 H new ATOM 0 HG13 VAL A 89 -9.115 10.722 -6.869 1.00 53.41 H new ATOM 0 HG21 VAL A 89 -8.710 9.542 -9.692 1.00 33.43 H new ATOM 0 HG22 VAL A 89 -10.017 10.678 -9.280 1.00 33.43 H new ATOM 0 HG23 VAL A 89 -8.897 11.054 -10.611 1.00 33.43 H new ATOM 1029 N GLU A 90 -6.334 13.817 -7.891 1.00 14.40 N ATOM 1030 CA GLU A 90 -5.390 14.457 -6.983 1.00 25.43 C ATOM 1031 C GLU A 90 -5.680 15.949 -6.858 1.00 11.54 C ATOM 1032 O GLU A 90 -5.343 16.576 -5.854 1.00 2.23 O ATOM 1033 CB GLU A 90 -3.955 14.244 -7.471 1.00 51.33 C ATOM 1034 CG GLU A 90 -3.567 15.147 -8.630 1.00 2.30 C ATOM 1035 CD GLU A 90 -2.775 16.361 -8.184 1.00 11.13 C ATOM 1036 OE1 GLU A 90 -1.736 16.180 -7.515 1.00 73.32 O ATOM 1037 OE2 GLU A 90 -3.195 17.493 -8.504 1.00 11.02 O ATOM 0 H GLU A 90 -5.983 13.681 -8.839 1.00 14.40 H new ATOM 0 HA GLU A 90 -5.504 14.000 -6.000 1.00 25.43 H new ATOM 0 HB2 GLU A 90 -3.269 14.416 -6.642 1.00 51.33 H new ATOM 0 HB3 GLU A 90 -3.834 13.204 -7.775 1.00 51.33 H new ATOM 0 HG2 GLU A 90 -2.978 14.577 -9.348 1.00 2.30 H new ATOM 0 HG3 GLU A 90 -4.468 15.476 -9.147 1.00 2.30 H new ATOM 1044 N ALA A 91 -6.308 16.512 -7.885 1.00 2.20 N ATOM 1045 CA ALA A 91 -6.645 17.930 -7.890 1.00 54.22 C ATOM 1046 C ALA A 91 -7.848 18.212 -6.995 1.00 64.34 C ATOM 1047 O ALA A 91 -8.034 19.333 -6.523 1.00 42.54 O ATOM 1048 CB ALA A 91 -6.920 18.402 -9.310 1.00 50.14 C ATOM 0 H ALA A 91 -6.594 16.008 -8.724 1.00 2.20 H new ATOM 0 HA ALA A 91 -5.793 18.482 -7.494 1.00 54.22 H new ATOM 0 HB1 ALA A 91 -7.170 19.463 -9.299 1.00 50.14 H new ATOM 0 HB2 ALA A 91 -6.033 18.245 -9.924 1.00 50.14 H new ATOM 0 HB3 ALA A 91 -7.754 17.837 -9.726 1.00 50.14 H new ATOM 1054 N PHE A 92 -8.662 17.187 -6.766 1.00 63.43 N ATOM 1055 CA PHE A 92 -9.848 17.324 -5.929 1.00 43.51 C ATOM 1056 C PHE A 92 -9.812 16.334 -4.769 1.00 14.22 C ATOM 1057 O PHE A 92 -10.781 16.205 -4.021 1.00 72.41 O ATOM 1058 CB PHE A 92 -11.113 17.108 -6.761 1.00 73.31 C ATOM 1059 CG PHE A 92 -11.419 18.244 -7.695 1.00 64.42 C ATOM 1060 CD1 PHE A 92 -10.557 18.554 -8.735 1.00 4.15 C ATOM 1061 CD2 PHE A 92 -12.567 19.001 -7.533 1.00 54.34 C ATOM 1062 CE1 PHE A 92 -10.835 19.599 -9.596 1.00 63.41 C ATOM 1063 CE2 PHE A 92 -12.851 20.046 -8.392 1.00 41.51 C ATOM 1064 CZ PHE A 92 -11.983 20.346 -9.424 1.00 0.31 C ATOM 0 H PHE A 92 -8.522 16.252 -7.149 1.00 63.43 H new ATOM 0 HA PHE A 92 -9.859 18.334 -5.520 1.00 43.51 H new ATOM 0 HB2 PHE A 92 -11.005 16.191 -7.340 1.00 73.31 H new ATOM 0 HB3 PHE A 92 -11.959 16.963 -6.089 1.00 73.31 H new ATOM 0 HD1 PHE A 92 -9.658 17.972 -8.874 1.00 4.15 H new ATOM 0 HD2 PHE A 92 -13.248 18.772 -6.727 1.00 54.34 H new ATOM 0 HE1 PHE A 92 -10.155 19.831 -10.402 1.00 63.41 H new ATOM 0 HE2 PHE A 92 -13.751 20.628 -8.256 1.00 41.51 H new ATOM 0 HZ PHE A 92 -12.202 21.163 -10.095 1.00 0.31 H new ATOM 1074 N GLN A 93 -8.689 15.638 -4.627 1.00 11.13 N ATOM 1075 CA GLN A 93 -8.528 14.659 -3.559 1.00 21.43 C ATOM 1076 C GLN A 93 -8.952 15.243 -2.215 1.00 50.14 C ATOM 1077 O GLN A 93 -9.473 14.534 -1.355 1.00 41.33 O ATOM 1078 CB GLN A 93 -7.075 14.186 -3.487 1.00 20.34 C ATOM 1079 CG GLN A 93 -6.739 13.446 -2.202 1.00 20.30 C ATOM 1080 CD GLN A 93 -5.307 12.948 -2.173 1.00 34.23 C ATOM 1081 OE1 GLN A 93 -4.495 13.308 -3.025 1.00 10.11 O ATOM 1082 NE2 GLN A 93 -4.990 12.114 -1.189 1.00 13.43 N ATOM 0 H GLN A 93 -7.878 15.734 -5.238 1.00 11.13 H new ATOM 0 HA GLN A 93 -9.170 13.807 -3.782 1.00 21.43 H new ATOM 0 HB2 GLN A 93 -6.872 13.533 -4.336 1.00 20.34 H new ATOM 0 HB3 GLN A 93 -6.416 15.049 -3.583 1.00 20.34 H new ATOM 0 HG2 GLN A 93 -6.907 14.107 -1.352 1.00 20.30 H new ATOM 0 HG3 GLN A 93 -7.416 12.600 -2.087 1.00 20.30 H new ATOM 0 HE21 GLN A 93 -5.695 11.842 -0.504 1.00 13.43 H new ATOM 0 HE22 GLN A 93 -4.041 11.746 -1.118 1.00 13.43 H new ATOM 1091 N GLY A 94 -8.725 16.542 -2.042 1.00 64.30 N ATOM 1092 CA GLY A 94 -9.089 17.199 -0.801 1.00 2.43 C ATOM 1093 C GLY A 94 -9.786 18.525 -1.030 1.00 53.51 C ATOM 1094 O GLY A 94 -9.288 19.575 -0.623 1.00 51.45 O ATOM 0 H GLY A 94 -8.296 17.150 -2.739 1.00 64.30 H new ATOM 0 HA2 GLY A 94 -9.742 16.544 -0.224 1.00 2.43 H new ATOM 0 HA3 GLY A 94 -8.192 17.362 -0.203 1.00 2.43 H new ATOM 1098 N TYR A 95 -10.941 18.479 -1.684 1.00 73.15 N ATOM 1099 CA TYR A 95 -11.706 19.687 -1.971 1.00 74.42 C ATOM 1100 C TYR A 95 -13.166 19.517 -1.561 1.00 0.13 C ATOM 1101 O TYR A 95 -13.790 18.484 -1.803 1.00 70.21 O ATOM 1102 CB TYR A 95 -11.620 20.029 -3.460 1.00 32.24 C ATOM 1103 CG TYR A 95 -12.454 21.227 -3.855 1.00 24.13 C ATOM 1104 CD1 TYR A 95 -13.810 21.096 -4.125 1.00 31.10 C ATOM 1105 CD2 TYR A 95 -11.884 22.490 -3.957 1.00 14.43 C ATOM 1106 CE1 TYR A 95 -14.575 22.188 -4.487 1.00 60.30 C ATOM 1107 CE2 TYR A 95 -12.642 23.588 -4.317 1.00 0.23 C ATOM 1108 CZ TYR A 95 -13.987 23.432 -4.581 1.00 64.43 C ATOM 1109 OH TYR A 95 -14.745 24.522 -4.940 1.00 74.03 O ATOM 0 H TYR A 95 -11.368 17.618 -2.026 1.00 73.15 H new ATOM 0 HA TYR A 95 -11.277 20.504 -1.392 1.00 74.42 H new ATOM 0 HB2 TYR A 95 -10.579 20.220 -3.721 1.00 32.24 H new ATOM 0 HB3 TYR A 95 -11.942 19.165 -4.042 1.00 32.24 H new ATOM 0 HD1 TYR A 95 -14.274 20.124 -4.051 1.00 31.10 H new ATOM 0 HD2 TYR A 95 -10.831 22.616 -3.752 1.00 14.43 H new ATOM 0 HE1 TYR A 95 -15.628 22.068 -4.695 1.00 60.30 H new ATOM 0 HE2 TYR A 95 -12.184 24.563 -4.391 1.00 0.23 H new ATOM 0 HH TYR A 95 -14.179 25.322 -4.959 1.00 74.03 H new ATOM 1119 N PRO A 96 -13.725 20.557 -0.924 1.00 22.24 N ATOM 1120 CA PRO A 96 -15.118 20.549 -0.466 1.00 45.23 C ATOM 1121 C PRO A 96 -16.108 20.600 -1.624 1.00 52.43 C ATOM 1122 O PRO A 96 -16.312 21.650 -2.234 1.00 12.41 O ATOM 1123 CB PRO A 96 -15.219 21.820 0.381 1.00 34.12 C ATOM 1124 CG PRO A 96 -14.160 22.719 -0.156 1.00 0.24 C ATOM 1125 CD PRO A 96 -13.040 21.820 -0.601 1.00 52.03 C ATOM 0 HA PRO A 96 -15.364 19.637 0.078 1.00 45.23 H new ATOM 0 HB2 PRO A 96 -16.206 22.275 0.295 1.00 34.12 H new ATOM 0 HB3 PRO A 96 -15.058 21.605 1.437 1.00 34.12 H new ATOM 0 HG2 PRO A 96 -14.538 23.313 -0.988 1.00 0.24 H new ATOM 0 HG3 PRO A 96 -13.819 23.419 0.607 1.00 0.24 H new ATOM 0 HD2 PRO A 96 -12.518 22.227 -1.467 1.00 52.03 H new ATOM 0 HD3 PRO A 96 -12.297 21.685 0.185 1.00 52.03 H new ATOM 1133 N PHE A 97 -16.722 19.460 -1.923 1.00 11.14 N ATOM 1134 CA PHE A 97 -17.692 19.375 -3.008 1.00 43.24 C ATOM 1135 C PHE A 97 -18.947 18.633 -2.560 1.00 12.03 C ATOM 1136 O PHE A 97 -18.884 17.743 -1.712 1.00 71.34 O ATOM 1137 CB PHE A 97 -17.074 18.671 -4.218 1.00 71.31 C ATOM 1138 CG PHE A 97 -18.054 18.413 -5.327 1.00 33.45 C ATOM 1139 CD1 PHE A 97 -18.663 19.466 -5.990 1.00 33.12 C ATOM 1140 CD2 PHE A 97 -18.366 17.117 -5.706 1.00 14.14 C ATOM 1141 CE1 PHE A 97 -19.566 19.231 -7.009 1.00 52.04 C ATOM 1142 CE2 PHE A 97 -19.268 16.876 -6.725 1.00 13.10 C ATOM 1143 CZ PHE A 97 -19.868 17.935 -7.378 1.00 71.43 C ATOM 0 H PHE A 97 -16.565 18.582 -1.429 1.00 11.14 H new ATOM 0 HA PHE A 97 -17.973 20.389 -3.290 1.00 43.24 H new ATOM 0 HB2 PHE A 97 -16.255 19.278 -4.602 1.00 71.31 H new ATOM 0 HB3 PHE A 97 -16.644 17.723 -3.896 1.00 71.31 H new ATOM 0 HD1 PHE A 97 -18.429 20.482 -5.707 1.00 33.12 H new ATOM 0 HD2 PHE A 97 -17.899 16.286 -5.199 1.00 14.14 H new ATOM 0 HE1 PHE A 97 -20.035 20.061 -7.517 1.00 52.04 H new ATOM 0 HE2 PHE A 97 -19.503 15.861 -7.010 1.00 13.10 H new ATOM 0 HZ PHE A 97 -20.572 17.750 -8.176 1.00 71.43 H new ATOM 1153 N GLN A 98 -20.086 19.007 -3.134 1.00 43.41 N ATOM 1154 CA GLN A 98 -21.356 18.378 -2.792 1.00 51.45 C ATOM 1155 C GLN A 98 -21.631 18.485 -1.296 1.00 54.22 C ATOM 1156 O GLN A 98 -22.362 17.673 -0.730 1.00 3.33 O ATOM 1157 CB GLN A 98 -21.353 16.909 -3.219 1.00 1.41 C ATOM 1158 CG GLN A 98 -22.451 16.561 -4.211 1.00 11.43 C ATOM 1159 CD GLN A 98 -22.662 15.066 -4.347 1.00 51.41 C ATOM 1160 OE1 GLN A 98 -23.301 14.438 -3.503 1.00 14.44 O ATOM 1161 NE2 GLN A 98 -22.125 14.487 -5.414 1.00 44.44 N ATOM 0 H GLN A 98 -20.155 19.742 -3.838 1.00 43.41 H new ATOM 0 HA GLN A 98 -22.148 18.902 -3.326 1.00 51.45 H new ATOM 0 HB2 GLN A 98 -20.386 16.670 -3.662 1.00 1.41 H new ATOM 0 HB3 GLN A 98 -21.462 16.282 -2.334 1.00 1.41 H new ATOM 0 HG2 GLN A 98 -23.383 17.028 -3.894 1.00 11.43 H new ATOM 0 HG3 GLN A 98 -22.200 16.979 -5.186 1.00 11.43 H new ATOM 0 HE21 GLN A 98 -21.603 15.046 -6.089 1.00 44.44 H new ATOM 0 HE22 GLN A 98 -22.235 13.483 -5.559 1.00 44.44 H new ATOM 1170 N GLY A 99 -21.041 19.493 -0.661 1.00 43.01 N ATOM 1171 CA GLY A 99 -21.234 19.687 0.764 1.00 13.10 C ATOM 1172 C GLY A 99 -19.927 19.888 1.505 1.00 51.23 C ATOM 1173 O GLY A 99 -19.720 20.919 2.143 1.00 51.31 O ATOM 0 H GLY A 99 -20.433 20.179 -1.108 1.00 43.01 H new ATOM 0 HA2 GLY A 99 -21.876 20.553 0.926 1.00 13.10 H new ATOM 0 HA3 GLY A 99 -21.753 18.823 1.178 1.00 13.10 H new ATOM 1177 N ASN A 100 -19.043 18.899 1.421 1.00 12.20 N ATOM 1178 CA ASN A 100 -17.750 18.972 2.091 1.00 63.41 C ATOM 1179 C ASN A 100 -16.936 17.706 1.840 1.00 22.34 C ATOM 1180 O ASN A 100 -15.846 17.741 1.268 1.00 55.42 O ATOM 1181 CB ASN A 100 -17.942 19.179 3.595 1.00 63.43 C ATOM 1182 CG ASN A 100 -17.659 20.606 4.022 1.00 21.25 C ATOM 1183 OD1 ASN A 100 -18.513 21.270 4.610 1.00 4.21 O ATOM 1184 ND2 ASN A 100 -16.455 21.084 3.728 1.00 34.04 N ATOM 0 H ASN A 100 -19.198 18.038 0.896 1.00 12.20 H new ATOM 0 HA ASN A 100 -17.204 19.822 1.681 1.00 63.41 H new ATOM 0 HB2 ASN A 100 -18.964 18.917 3.868 1.00 63.43 H new ATOM 0 HB3 ASN A 100 -17.283 18.502 4.139 1.00 63.43 H new ATOM 0 HD21 ASN A 100 -16.207 22.038 3.991 1.00 34.04 H new ATOM 0 HD22 ASN A 100 -15.779 20.497 3.239 1.00 34.04 H new ATOM 1191 N PRO A 101 -17.476 16.559 2.278 1.00 22.34 N ATOM 1192 CA PRO A 101 -16.818 15.260 2.112 1.00 25.50 C ATOM 1193 C PRO A 101 -16.791 14.805 0.657 1.00 41.34 C ATOM 1194 O PRO A 101 -17.819 14.422 0.096 1.00 24.23 O ATOM 1195 CB PRO A 101 -17.681 14.314 2.951 1.00 2.44 C ATOM 1196 CG PRO A 101 -19.023 14.959 2.988 1.00 52.40 C ATOM 1197 CD PRO A 101 -18.771 16.442 2.969 1.00 20.33 C ATOM 0 HA PRO A 101 -15.773 15.292 2.420 1.00 25.50 H new ATOM 0 HB2 PRO A 101 -17.731 13.322 2.503 1.00 2.44 H new ATOM 0 HB3 PRO A 101 -17.273 14.191 3.954 1.00 2.44 H new ATOM 0 HG2 PRO A 101 -19.626 14.655 2.132 1.00 52.40 H new ATOM 0 HG3 PRO A 101 -19.571 14.668 3.884 1.00 52.40 H new ATOM 0 HD2 PRO A 101 -19.559 16.977 2.439 1.00 20.33 H new ATOM 0 HD3 PRO A 101 -18.728 16.855 3.977 1.00 20.33 H new ATOM 1205 N LEU A 102 -15.610 14.850 0.049 1.00 13.43 N ATOM 1206 CA LEU A 102 -15.450 14.443 -1.342 1.00 64.41 C ATOM 1207 C LEU A 102 -14.273 13.484 -1.496 1.00 75.42 C ATOM 1208 O LEU A 102 -13.131 13.833 -1.198 1.00 71.44 O ATOM 1209 CB LEU A 102 -15.243 15.669 -2.233 1.00 24.21 C ATOM 1210 CG LEU A 102 -14.802 15.388 -3.670 1.00 32.21 C ATOM 1211 CD1 LEU A 102 -15.934 14.750 -4.460 1.00 52.02 C ATOM 1212 CD2 LEU A 102 -14.334 16.669 -4.345 1.00 12.15 C ATOM 0 H LEU A 102 -14.750 15.164 0.498 1.00 13.43 H new ATOM 0 HA LEU A 102 -16.359 13.927 -1.651 1.00 64.41 H new ATOM 0 HB2 LEU A 102 -16.176 16.232 -2.264 1.00 24.21 H new ATOM 0 HB3 LEU A 102 -14.498 16.312 -1.765 1.00 24.21 H new ATOM 0 HG LEU A 102 -13.966 14.689 -3.643 1.00 32.21 H new ATOM 0 HD11 LEU A 102 -15.602 14.557 -5.480 1.00 52.02 H new ATOM 0 HD12 LEU A 102 -16.222 13.811 -3.988 1.00 52.02 H new ATOM 0 HD13 LEU A 102 -16.790 15.424 -4.478 1.00 52.02 H new ATOM 0 HD21 LEU A 102 -14.024 16.450 -5.367 1.00 12.15 H new ATOM 0 HD22 LEU A 102 -15.150 17.391 -4.361 1.00 12.15 H new ATOM 0 HD23 LEU A 102 -13.492 17.085 -3.792 1.00 12.15 H new ATOM 1224 N VAL A 103 -14.561 12.274 -1.965 1.00 63.54 N ATOM 1225 CA VAL A 103 -13.527 11.265 -2.163 1.00 24.33 C ATOM 1226 C VAL A 103 -13.401 10.887 -3.634 1.00 41.13 C ATOM 1227 O VAL A 103 -14.403 10.691 -4.323 1.00 2.30 O ATOM 1228 CB VAL A 103 -13.817 9.995 -1.341 1.00 75.21 C ATOM 1229 CG1 VAL A 103 -15.048 9.281 -1.879 1.00 33.01 C ATOM 1230 CG2 VAL A 103 -12.610 9.070 -1.346 1.00 20.43 C ATOM 0 H VAL A 103 -15.502 11.969 -2.215 1.00 63.54 H new ATOM 0 HA VAL A 103 -12.589 11.703 -1.822 1.00 24.33 H new ATOM 0 HB VAL A 103 -14.017 10.288 -0.310 1.00 75.21 H new ATOM 0 HG11 VAL A 103 -15.238 8.386 -1.286 1.00 33.01 H new ATOM 0 HG12 VAL A 103 -15.910 9.946 -1.819 1.00 33.01 H new ATOM 0 HG13 VAL A 103 -14.880 8.999 -2.918 1.00 33.01 H new ATOM 0 HG21 VAL A 103 -12.833 8.178 -0.761 1.00 20.43 H new ATOM 0 HG22 VAL A 103 -12.376 8.782 -2.371 1.00 20.43 H new ATOM 0 HG23 VAL A 103 -11.754 9.586 -0.910 1.00 20.43 H new ATOM 1240 N ILE A 104 -12.164 10.786 -4.110 1.00 34.01 N ATOM 1241 CA ILE A 104 -11.908 10.430 -5.500 1.00 23.12 C ATOM 1242 C ILE A 104 -10.787 9.402 -5.606 1.00 23.41 C ATOM 1243 O ILE A 104 -9.688 9.607 -5.088 1.00 55.41 O ATOM 1244 CB ILE A 104 -11.535 11.667 -6.338 1.00 74.03 C ATOM 1245 CG1 ILE A 104 -10.872 12.727 -5.457 1.00 25.33 C ATOM 1246 CG2 ILE A 104 -12.771 12.236 -7.020 1.00 64.35 C ATOM 1247 CD1 ILE A 104 -11.857 13.651 -4.777 1.00 32.13 C ATOM 0 H ILE A 104 -11.324 10.946 -3.554 1.00 34.01 H new ATOM 0 HA ILE A 104 -12.830 10.001 -5.891 1.00 23.12 H new ATOM 0 HB ILE A 104 -10.824 11.365 -7.107 1.00 74.03 H new ATOM 0 HG12 ILE A 104 -10.268 12.230 -4.697 1.00 25.33 H new ATOM 0 HG13 ILE A 104 -10.191 13.321 -6.067 1.00 25.33 H new ATOM 0 HG21 ILE A 104 -12.492 13.110 -7.609 1.00 64.35 H new ATOM 0 HG22 ILE A 104 -13.205 11.481 -7.675 1.00 64.35 H new ATOM 0 HG23 ILE A 104 -13.502 12.525 -6.265 1.00 64.35 H new ATOM 0 HD11 ILE A 104 -11.316 14.376 -4.169 1.00 32.13 H new ATOM 0 HD12 ILE A 104 -12.444 14.175 -5.531 1.00 32.13 H new ATOM 0 HD13 ILE A 104 -12.522 13.068 -4.140 1.00 32.13 H new ATOM 1259 N THR A 105 -11.070 8.293 -6.283 1.00 31.13 N ATOM 1260 CA THR A 105 -10.086 7.232 -6.458 1.00 53.01 C ATOM 1261 C THR A 105 -10.236 6.563 -7.820 1.00 2.23 C ATOM 1262 O THR A 105 -11.201 6.813 -8.543 1.00 24.24 O ATOM 1263 CB THR A 105 -10.211 6.162 -5.357 1.00 12.32 C ATOM 1264 OG1 THR A 105 -11.592 5.913 -5.070 1.00 41.31 O ATOM 1265 CG2 THR A 105 -9.497 6.605 -4.089 1.00 24.01 C ATOM 0 H THR A 105 -11.973 8.107 -6.719 1.00 31.13 H new ATOM 0 HA THR A 105 -9.103 7.698 -6.391 1.00 53.01 H new ATOM 0 HB THR A 105 -9.744 5.245 -5.717 1.00 12.32 H new ATOM 0 HG1 THR A 105 -11.663 5.230 -4.370 1.00 41.31 H new ATOM 0 HG21 THR A 105 -9.599 5.834 -3.326 1.00 24.01 H new ATOM 0 HG22 THR A 105 -8.441 6.766 -4.304 1.00 24.01 H new ATOM 0 HG23 THR A 105 -9.939 7.533 -3.728 1.00 24.01 H new ATOM 1273 N PHE A 106 -9.276 5.711 -8.164 1.00 4.41 N ATOM 1274 CA PHE A 106 -9.301 5.006 -9.440 1.00 43.10 C ATOM 1275 C PHE A 106 -10.116 3.721 -9.335 1.00 70.41 C ATOM 1276 O PHE A 106 -10.648 3.395 -8.274 1.00 14.41 O ATOM 1277 CB PHE A 106 -7.876 4.684 -9.897 1.00 54.20 C ATOM 1278 CG PHE A 106 -6.956 5.871 -9.872 1.00 71.01 C ATOM 1279 CD1 PHE A 106 -6.227 6.175 -8.734 1.00 1.02 C ATOM 1280 CD2 PHE A 106 -6.820 6.682 -10.987 1.00 42.11 C ATOM 1281 CE1 PHE A 106 -5.380 7.267 -8.708 1.00 71.01 C ATOM 1282 CE2 PHE A 106 -5.974 7.775 -10.967 1.00 51.34 C ATOM 1283 CZ PHE A 106 -5.253 8.067 -9.827 1.00 4.34 C ATOM 0 H PHE A 106 -8.471 5.492 -7.577 1.00 4.41 H new ATOM 0 HA PHE A 106 -9.773 5.656 -10.177 1.00 43.10 H new ATOM 0 HB2 PHE A 106 -7.466 3.903 -9.257 1.00 54.20 H new ATOM 0 HB3 PHE A 106 -7.910 4.282 -10.910 1.00 54.20 H new ATOM 0 HD1 PHE A 106 -6.322 5.552 -7.857 1.00 1.02 H new ATOM 0 HD2 PHE A 106 -7.381 6.458 -11.882 1.00 42.11 H new ATOM 0 HE1 PHE A 106 -4.818 7.494 -7.814 1.00 71.01 H new ATOM 0 HE2 PHE A 106 -5.877 8.400 -11.843 1.00 51.34 H new ATOM 0 HZ PHE A 106 -4.590 8.920 -9.810 1.00 4.34 H new ATOM 1293 N SER A 107 -10.209 2.994 -10.444 1.00 74.11 N ATOM 1294 CA SER A 107 -10.963 1.746 -10.479 1.00 51.12 C ATOM 1295 C SER A 107 -10.301 0.737 -11.413 1.00 1.52 C ATOM 1296 O SER A 107 -9.198 0.966 -11.908 1.00 23.23 O ATOM 1297 CB SER A 107 -12.402 2.007 -10.930 1.00 3.23 C ATOM 1298 OG SER A 107 -13.329 1.582 -9.946 1.00 52.41 O ATOM 0 H SER A 107 -9.772 3.248 -11.330 1.00 74.11 H new ATOM 0 HA SER A 107 -10.975 1.330 -9.472 1.00 51.12 H new ATOM 0 HB2 SER A 107 -12.538 3.070 -11.127 1.00 3.23 H new ATOM 0 HB3 SER A 107 -12.594 1.482 -11.866 1.00 3.23 H new ATOM 0 HG SER A 107 -14.241 1.761 -10.257 1.00 52.41 H new ATOM 1304 N GLU A 108 -10.984 -0.379 -11.648 1.00 44.31 N ATOM 1305 CA GLU A 108 -10.461 -1.423 -12.521 1.00 73.15 C ATOM 1306 C GLU A 108 -11.146 -1.385 -13.885 1.00 21.03 C ATOM 1307 O GLU A 108 -12.354 -1.166 -13.980 1.00 72.53 O ATOM 1308 CB GLU A 108 -10.654 -2.799 -11.880 1.00 41.20 C ATOM 1309 CG GLU A 108 -10.223 -2.857 -10.424 1.00 71.21 C ATOM 1310 CD GLU A 108 -9.477 -4.134 -10.087 1.00 41.52 C ATOM 1311 OE1 GLU A 108 -10.058 -5.225 -10.262 1.00 1.15 O ATOM 1312 OE2 GLU A 108 -8.311 -4.040 -9.649 1.00 61.33 O ATOM 0 H GLU A 108 -11.899 -0.583 -11.247 1.00 44.31 H new ATOM 0 HA GLU A 108 -9.395 -1.242 -12.663 1.00 73.15 H new ATOM 0 HB2 GLU A 108 -11.705 -3.079 -11.951 1.00 41.20 H new ATOM 0 HB3 GLU A 108 -10.088 -3.538 -12.448 1.00 41.20 H new ATOM 0 HG2 GLU A 108 -9.587 -2.000 -10.203 1.00 71.21 H new ATOM 0 HG3 GLU A 108 -11.102 -2.775 -9.785 1.00 71.21 H new ATOM 1319 N THR A 109 -10.365 -1.599 -14.939 1.00 42.10 N ATOM 1320 CA THR A 109 -10.894 -1.588 -16.297 1.00 44.40 C ATOM 1321 C THR A 109 -10.516 -2.861 -17.045 1.00 22.12 C ATOM 1322 O THR A 109 -9.692 -2.851 -17.960 1.00 33.20 O ATOM 1323 CB THR A 109 -10.382 -0.370 -17.089 1.00 41.31 C ATOM 1324 OG1 THR A 109 -8.960 -0.261 -16.956 1.00 72.24 O ATOM 1325 CG2 THR A 109 -11.041 0.911 -16.599 1.00 32.42 C ATOM 0 H THR A 109 -9.363 -1.782 -14.878 1.00 42.10 H new ATOM 0 HA THR A 109 -11.979 -1.528 -16.213 1.00 44.40 H new ATOM 0 HB THR A 109 -10.639 -0.514 -18.139 1.00 41.31 H new ATOM 0 HG1 THR A 109 -8.536 -1.076 -17.297 1.00 72.24 H new ATOM 0 HG21 THR A 109 -10.663 1.757 -17.173 1.00 32.42 H new ATOM 0 HG22 THR A 109 -12.121 0.837 -16.729 1.00 32.42 H new ATOM 0 HG23 THR A 109 -10.811 1.058 -15.544 1.00 32.42 H new ATOM 1333 N PRO A 110 -11.131 -3.985 -16.649 1.00 21.30 N ATOM 1334 CA PRO A 110 -10.875 -5.288 -17.270 1.00 74.32 C ATOM 1335 C PRO A 110 -11.425 -5.371 -18.690 1.00 61.22 C ATOM 1336 O PRO A 110 -11.943 -4.390 -19.222 1.00 74.23 O ATOM 1337 CB PRO A 110 -11.612 -6.269 -16.354 1.00 2.32 C ATOM 1338 CG PRO A 110 -12.686 -5.457 -15.716 1.00 73.33 C ATOM 1339 CD PRO A 110 -12.124 -4.071 -15.565 1.00 23.02 C ATOM 0 HA PRO A 110 -9.808 -5.491 -17.365 1.00 74.32 H new ATOM 0 HB2 PRO A 110 -12.029 -7.102 -16.920 1.00 2.32 H new ATOM 0 HB3 PRO A 110 -10.941 -6.694 -15.608 1.00 2.32 H new ATOM 0 HG2 PRO A 110 -13.586 -5.448 -16.331 1.00 73.33 H new ATOM 0 HG3 PRO A 110 -12.966 -5.872 -14.748 1.00 73.33 H new ATOM 0 HD2 PRO A 110 -12.898 -3.310 -15.668 1.00 23.02 H new ATOM 0 HD3 PRO A 110 -11.665 -3.928 -14.587 1.00 23.02 H new ATOM 1347 N GLN A 111 -11.308 -6.548 -19.297 1.00 41.23 N ATOM 1348 CA GLN A 111 -11.793 -6.757 -20.656 1.00 74.21 C ATOM 1349 C GLN A 111 -11.856 -8.244 -20.989 1.00 21.43 C ATOM 1350 O GLN A 111 -11.253 -8.699 -21.961 1.00 0.12 O ATOM 1351 CB GLN A 111 -10.892 -6.036 -21.659 1.00 43.33 C ATOM 1352 CG GLN A 111 -11.615 -5.601 -22.924 1.00 65.11 C ATOM 1353 CD GLN A 111 -11.940 -4.120 -22.931 1.00 23.50 C ATOM 1354 OE1 GLN A 111 -11.064 -3.282 -23.143 1.00 45.30 O ATOM 1355 NE2 GLN A 111 -13.205 -3.791 -22.699 1.00 1.14 N ATOM 0 H GLN A 111 -10.882 -7.370 -18.870 1.00 41.23 H new ATOM 0 HA GLN A 111 -12.800 -6.345 -20.722 1.00 74.21 H new ATOM 0 HB2 GLN A 111 -10.457 -5.159 -21.179 1.00 43.33 H new ATOM 0 HB3 GLN A 111 -10.066 -6.693 -21.930 1.00 43.33 H new ATOM 0 HG2 GLN A 111 -10.997 -5.838 -23.790 1.00 65.11 H new ATOM 0 HG3 GLN A 111 -12.538 -6.172 -23.025 1.00 65.11 H new ATOM 0 HE21 GLN A 111 -13.898 -4.519 -22.528 1.00 1.14 H new ATOM 0 HE22 GLN A 111 -13.484 -2.810 -22.692 1.00 1.14 H new ATOM 1364 N SER A 112 -12.589 -8.997 -20.175 1.00 21.42 N ATOM 1365 CA SER A 112 -12.727 -10.434 -20.380 1.00 62.53 C ATOM 1366 C SER A 112 -13.940 -10.745 -21.252 1.00 1.31 C ATOM 1367 O SER A 112 -13.980 -11.767 -21.935 1.00 74.34 O ATOM 1368 CB SER A 112 -12.853 -11.153 -19.036 1.00 33.42 C ATOM 1369 OG SER A 112 -12.967 -12.555 -19.215 1.00 44.54 O ATOM 0 H SER A 112 -13.096 -8.636 -19.367 1.00 21.42 H new ATOM 0 HA SER A 112 -11.833 -10.790 -20.892 1.00 62.53 H new ATOM 0 HB2 SER A 112 -11.982 -10.932 -18.419 1.00 33.42 H new ATOM 0 HB3 SER A 112 -13.726 -10.780 -18.501 1.00 33.42 H new ATOM 0 HG SER A 112 -13.045 -12.991 -18.341 1.00 44.54 H new ATOM 1375 N GLN A 113 -14.926 -9.854 -21.221 1.00 41.04 N ATOM 1376 CA GLN A 113 -16.141 -10.033 -22.008 1.00 3.42 C ATOM 1377 C GLN A 113 -15.807 -10.303 -23.471 1.00 40.22 C ATOM 1378 O GLN A 113 -16.525 -11.029 -24.159 1.00 22.44 O ATOM 1379 CB GLN A 113 -17.033 -8.795 -21.896 1.00 4.11 C ATOM 1380 CG GLN A 113 -16.280 -7.485 -22.066 1.00 22.23 C ATOM 1381 CD GLN A 113 -17.145 -6.387 -22.651 1.00 1.50 C ATOM 1382 OE1 GLN A 113 -18.108 -5.940 -22.027 1.00 40.00 O ATOM 1383 NE2 GLN A 113 -16.805 -5.944 -23.856 1.00 13.10 N ATOM 0 H GLN A 113 -14.908 -9.002 -20.660 1.00 41.04 H new ATOM 0 HA GLN A 113 -16.677 -10.895 -21.612 1.00 3.42 H new ATOM 0 HB2 GLN A 113 -17.818 -8.854 -22.650 1.00 4.11 H new ATOM 0 HB3 GLN A 113 -17.524 -8.798 -20.923 1.00 4.11 H new ATOM 0 HG2 GLN A 113 -15.896 -7.163 -21.098 1.00 22.23 H new ATOM 0 HG3 GLN A 113 -15.418 -7.647 -22.713 1.00 22.23 H new ATOM 0 HE21 GLN A 113 -15.999 -6.343 -24.337 1.00 13.10 H new ATOM 0 HE22 GLN A 113 -17.350 -5.205 -24.300 1.00 13.10 H new ATOM 1392 N VAL A 114 -14.713 -9.713 -23.942 1.00 41.24 N ATOM 1393 CA VAL A 114 -14.283 -9.890 -25.324 1.00 74.33 C ATOM 1394 C VAL A 114 -13.773 -11.307 -25.564 1.00 12.25 C ATOM 1395 O VAL A 114 -13.345 -11.989 -24.633 1.00 4.40 O ATOM 1396 CB VAL A 114 -13.177 -8.887 -25.701 1.00 61.44 C ATOM 1397 CG1 VAL A 114 -13.662 -7.459 -25.507 1.00 41.10 C ATOM 1398 CG2 VAL A 114 -11.921 -9.148 -24.884 1.00 63.51 C ATOM 0 H VAL A 114 -14.108 -9.108 -23.387 1.00 41.24 H new ATOM 0 HA VAL A 114 -15.155 -9.710 -25.952 1.00 74.33 H new ATOM 0 HB VAL A 114 -12.932 -9.022 -26.755 1.00 61.44 H new ATOM 0 HG11 VAL A 114 -12.867 -6.765 -25.778 1.00 41.10 H new ATOM 0 HG12 VAL A 114 -14.531 -7.281 -26.140 1.00 41.10 H new ATOM 0 HG13 VAL A 114 -13.936 -7.307 -24.463 1.00 41.10 H new ATOM 0 HG21 VAL A 114 -11.150 -8.430 -25.163 1.00 63.51 H new ATOM 0 HG22 VAL A 114 -12.148 -9.042 -23.823 1.00 63.51 H new ATOM 0 HG23 VAL A 114 -11.564 -10.159 -25.079 1.00 63.51 H new ATOM 1408 N ALA A 115 -13.822 -11.744 -26.818 1.00 11.52 N ATOM 1409 CA ALA A 115 -13.362 -13.078 -27.180 1.00 74.44 C ATOM 1410 C ALA A 115 -11.849 -13.195 -27.038 1.00 23.44 C ATOM 1411 O ALA A 115 -11.320 -14.283 -26.812 1.00 72.40 O ATOM 1412 CB ALA A 115 -13.788 -13.415 -28.602 1.00 20.11 C ATOM 0 H ALA A 115 -14.176 -11.193 -27.600 1.00 11.52 H new ATOM 0 HA ALA A 115 -13.821 -13.791 -26.495 1.00 74.44 H new ATOM 0 HB1 ALA A 115 -13.438 -14.415 -28.860 1.00 20.11 H new ATOM 0 HB2 ALA A 115 -14.875 -13.382 -28.674 1.00 20.11 H new ATOM 0 HB3 ALA A 115 -13.357 -12.690 -29.292 1.00 20.11 H new ATOM 1418 N GLU A 116 -11.157 -12.068 -27.171 1.00 53.23 N ATOM 1419 CA GLU A 116 -9.704 -12.046 -27.058 1.00 43.14 C ATOM 1420 C GLU A 116 -9.248 -12.716 -25.765 1.00 72.44 C ATOM 1421 O GLU A 116 -8.338 -13.545 -25.771 1.00 22.13 O ATOM 1422 CB GLU A 116 -9.188 -10.606 -27.109 1.00 24.35 C ATOM 1423 CG GLU A 116 -7.777 -10.484 -27.659 1.00 63.32 C ATOM 1424 CD GLU A 116 -7.338 -9.042 -27.825 1.00 70.43 C ATOM 1425 OE1 GLU A 116 -7.704 -8.209 -26.970 1.00 30.32 O ATOM 1426 OE2 GLU A 116 -6.629 -8.747 -28.810 1.00 55.21 O ATOM 0 H GLU A 116 -11.579 -11.158 -27.357 1.00 53.23 H new ATOM 0 HA GLU A 116 -9.292 -12.602 -27.900 1.00 43.14 H new ATOM 0 HB2 GLU A 116 -9.861 -10.009 -27.724 1.00 24.35 H new ATOM 0 HB3 GLU A 116 -9.215 -10.183 -26.105 1.00 24.35 H new ATOM 0 HG2 GLU A 116 -7.085 -10.996 -26.990 1.00 63.32 H new ATOM 0 HG3 GLU A 116 -7.722 -10.990 -28.623 1.00 63.32 H new ATOM 1433 N ASP A 117 -9.888 -12.351 -24.660 1.00 24.22 N ATOM 1434 CA ASP A 117 -9.550 -12.917 -23.359 1.00 5.22 C ATOM 1435 C ASP A 117 -8.060 -12.760 -23.069 1.00 12.25 C ATOM 1436 O ASP A 117 -7.462 -13.585 -22.377 1.00 33.25 O ATOM 1437 CB ASP A 117 -9.939 -14.395 -23.305 1.00 14.24 C ATOM 1438 CG ASP A 117 -10.183 -14.878 -21.888 1.00 40.43 C ATOM 1439 OD1 ASP A 117 -11.258 -14.569 -21.332 1.00 51.04 O ATOM 1440 OD2 ASP A 117 -9.299 -15.565 -21.336 1.00 1.10 O ATOM 0 H ASP A 117 -10.643 -11.666 -24.639 1.00 24.22 H new ATOM 0 HA ASP A 117 -10.110 -12.374 -22.598 1.00 5.22 H new ATOM 0 HB2 ASP A 117 -10.839 -14.553 -23.900 1.00 14.24 H new ATOM 0 HB3 ASP A 117 -9.148 -14.993 -23.758 1.00 14.24 H new TER 1445 ASP A 117