USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -1.42 K(o=-2.6,f=-6.6!) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.15 K(o=-2.6,f=-7.5!) USER MOD Set 2.1: A 71 HIS :FLIP no HE2:sc= -4.55! C(o=-9.5!,f=-7.2!) USER MOD Set 2.2: A 78 THR OG1 : rot 170:sc= -2.61 USER MOD Set 3.1: A 12 SER OG : rot 107:sc= -0.618 USER MOD Set 3.2: A 61 SER OG : rot -69:sc= 0.824 USER MOD Set 4.1: A 48 SER OG : rot 180:sc= -0.428 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= -0.0215 USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 30 LYS NZ :NH3+ -157:sc= -1.34 (180deg=-2.53!) USER MOD Set 6.1: A 23 TYR OH : rot -97:sc= 0.433 USER MOD Set 6.2: A 94 GLN : amide:sc= -1.62 K(o=-1.2,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 160:sc= -5.26! USER MOD Single : A 17 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 155:sc= -2.39 (180deg=-4.41!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 37:sc= -0.224! USER MOD Single : A 51 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.6!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.5!) USER MOD Single : A 70 GLN : amide:sc= -0.346 K(o=-0.35,f=-3!) USER MOD Single : A 72 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.0071) USER MOD Single : A 76 SER OG : rot 180:sc= -1.66! USER MOD Single : A 77 CYS SG : rot 180:sc= -0.507 USER MOD Single : A 80 ASN : amide:sc= -3.29 K(o=-3.3,f=-8.1!) USER MOD Single : A 82 MET CE :methyl -179:sc= -0.172 (180deg=-0.179) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= 0.989 F(o=-0.58,f=0.99) USER MOD Single : A 92 MET CE :methyl -167:sc= -1.12 (180deg=-1.36) USER MOD Single : A 98 MET CE :methyl 180:sc= -2.52 (180deg=-2.52) USER MOD Single : A 104 ASN : amide:sc= 0.803 K(o=0.8,f=-0.75) USER MOD Single : A 105 TYR OH : rot 129:sc= 0.0147 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.5!) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.186 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.719 -16.075 -0.161 1.00 0.00 N ATOM 2 CA GLY A 1 10.935 -15.699 -0.862 1.00 0.00 C ATOM 3 C GLY A 1 12.131 -15.671 0.092 1.00 0.00 C ATOM 4 O GLY A 1 12.318 -16.592 0.886 1.00 0.00 O ATOM 0 H1 GLY A 1 8.922 -16.087 -0.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.836 -17.021 0.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.527 -15.387 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.126 -16.405 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.807 -14.718 -1.319 1.00 0.00 H new ATOM 8 N SER A 2 12.910 -14.605 -0.018 1.00 0.00 N ATOM 9 CA SER A 2 14.083 -14.446 0.825 1.00 0.00 C ATOM 10 C SER A 2 14.201 -12.992 1.287 1.00 0.00 C ATOM 11 O SER A 2 14.531 -12.110 0.495 1.00 0.00 O ATOM 12 CB SER A 2 15.353 -14.873 0.088 1.00 0.00 C ATOM 13 OG SER A 2 16.281 -15.521 0.954 1.00 0.00 O ATOM 0 H SER A 2 12.752 -13.843 -0.678 1.00 0.00 H new ATOM 0 HA SER A 2 13.968 -15.090 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.089 -15.545 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.824 -13.998 -0.359 1.00 0.00 H new ATOM 0 HG SER A 2 17.078 -15.780 0.445 1.00 0.00 H new ATOM 19 N SER A 3 13.925 -12.787 2.567 1.00 0.00 N ATOM 20 CA SER A 3 13.997 -11.455 3.143 1.00 0.00 C ATOM 21 C SER A 3 13.025 -10.519 2.421 1.00 0.00 C ATOM 22 O SER A 3 12.657 -10.766 1.274 1.00 0.00 O ATOM 23 CB SER A 3 15.420 -10.900 3.072 1.00 0.00 C ATOM 24 OG SER A 3 15.540 -9.649 3.744 1.00 0.00 O ATOM 0 H SER A 3 13.651 -13.521 3.221 1.00 0.00 H new ATOM 0 HA SER A 3 13.714 -11.521 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.111 -11.617 3.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.711 -10.780 2.028 1.00 0.00 H new ATOM 0 HG SER A 3 16.464 -9.329 3.677 1.00 0.00 H new ATOM 30 N GLY A 4 12.638 -9.464 3.123 1.00 0.00 N ATOM 31 CA GLY A 4 11.716 -8.490 2.563 1.00 0.00 C ATOM 32 C GLY A 4 10.548 -8.230 3.516 1.00 0.00 C ATOM 33 O GLY A 4 10.434 -7.143 4.081 1.00 0.00 O ATOM 0 H GLY A 4 12.946 -9.262 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.243 -7.557 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.337 -8.851 1.607 1.00 0.00 H new ATOM 37 N SER A 5 9.710 -9.245 3.665 1.00 0.00 N ATOM 38 CA SER A 5 8.555 -9.139 4.540 1.00 0.00 C ATOM 39 C SER A 5 7.725 -7.910 4.164 1.00 0.00 C ATOM 40 O SER A 5 7.892 -6.841 4.750 1.00 0.00 O ATOM 41 CB SER A 5 8.980 -9.064 6.007 1.00 0.00 C ATOM 42 OG SER A 5 9.207 -10.356 6.564 1.00 0.00 O ATOM 0 H SER A 5 9.808 -10.145 3.195 1.00 0.00 H new ATOM 0 HA SER A 5 7.946 -10.034 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.889 -8.468 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.209 -8.552 6.582 1.00 0.00 H new ATOM 0 HG SER A 5 9.478 -10.265 7.501 1.00 0.00 H new ATOM 48 N SER A 6 6.848 -8.102 3.190 1.00 0.00 N ATOM 49 CA SER A 6 5.992 -7.023 2.729 1.00 0.00 C ATOM 50 C SER A 6 4.685 -7.592 2.172 1.00 0.00 C ATOM 51 O SER A 6 4.591 -7.888 0.981 1.00 0.00 O ATOM 52 CB SER A 6 6.696 -6.175 1.668 1.00 0.00 C ATOM 53 OG SER A 6 6.388 -4.790 1.800 1.00 0.00 O ATOM 0 H SER A 6 6.712 -8.990 2.707 1.00 0.00 H new ATOM 0 HA SER A 6 5.767 -6.379 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.774 -6.316 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.403 -6.519 0.676 1.00 0.00 H new ATOM 0 HG SER A 6 6.858 -4.283 1.106 1.00 0.00 H new ATOM 59 N GLY A 7 3.711 -7.729 3.059 1.00 0.00 N ATOM 60 CA GLY A 7 2.414 -8.258 2.670 1.00 0.00 C ATOM 61 C GLY A 7 1.780 -7.402 1.572 1.00 0.00 C ATOM 62 O GLY A 7 2.341 -6.384 1.171 1.00 0.00 O ATOM 0 H GLY A 7 3.793 -7.483 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.526 -9.283 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.755 -8.290 3.538 1.00 0.00 H new ATOM 66 N PRO A 8 0.587 -7.859 1.105 1.00 0.00 N ATOM 67 CA PRO A 8 -0.130 -7.146 0.061 1.00 0.00 C ATOM 68 C PRO A 8 -0.791 -5.882 0.614 1.00 0.00 C ATOM 69 O PRO A 8 -1.363 -5.903 1.703 1.00 0.00 O ATOM 70 CB PRO A 8 -1.132 -8.151 -0.484 1.00 0.00 C ATOM 71 CG PRO A 8 -1.259 -9.231 0.578 1.00 0.00 C ATOM 72 CD PRO A 8 -0.108 -9.060 1.556 1.00 0.00 C ATOM 0 HA PRO A 8 0.527 -6.788 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.095 -7.677 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.789 -8.571 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.215 -9.148 1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.229 -10.220 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.470 -8.948 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.552 -9.927 1.546 1.00 0.00 H new ATOM 80 N VAL A 9 -0.691 -4.813 -0.161 1.00 0.00 N ATOM 81 CA VAL A 9 -1.272 -3.542 0.238 1.00 0.00 C ATOM 82 C VAL A 9 -2.167 -3.020 -0.888 1.00 0.00 C ATOM 83 O VAL A 9 -1.681 -2.684 -1.967 1.00 0.00 O ATOM 84 CB VAL A 9 -0.166 -2.560 0.627 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.739 -1.166 0.893 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.620 -3.070 1.836 1.00 0.00 C ATOM 0 H VAL A 9 -0.216 -4.800 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.900 -3.669 1.120 1.00 0.00 H new ATOM 0 HB VAL A 9 0.525 -2.483 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.068 -0.487 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.233 -0.798 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.461 -1.219 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.400 -2.353 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.054 -3.190 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.075 -4.031 1.595 1.00 0.00 H new ATOM 96 N ASP A 10 -3.459 -2.967 -0.598 1.00 0.00 N ATOM 97 CA ASP A 10 -4.426 -2.491 -1.572 1.00 0.00 C ATOM 98 C ASP A 10 -3.862 -1.260 -2.285 1.00 0.00 C ATOM 99 O ASP A 10 -3.997 -1.125 -3.500 1.00 0.00 O ATOM 100 CB ASP A 10 -5.736 -2.086 -0.895 1.00 0.00 C ATOM 101 CG ASP A 10 -6.632 -3.251 -0.471 1.00 0.00 C ATOM 102 OD1 ASP A 10 -6.076 -4.220 0.091 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.853 -3.148 -0.717 1.00 0.00 O ATOM 0 H ASP A 10 -3.858 -3.246 0.298 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.619 -3.299 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.502 -1.488 -0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.296 -1.445 -1.576 1.00 0.00 H new ATOM 108 N CYS A 11 -3.241 -0.393 -1.498 1.00 0.00 N ATOM 109 CA CYS A 11 -2.656 0.823 -2.038 1.00 0.00 C ATOM 110 C CYS A 11 -1.433 1.184 -1.193 1.00 0.00 C ATOM 111 O CYS A 11 -1.568 1.572 -0.034 1.00 0.00 O ATOM 112 CB CYS A 11 -3.672 1.965 -2.089 1.00 0.00 C ATOM 113 SG CYS A 11 -2.945 3.412 -2.941 1.00 0.00 S ATOM 0 H CYS A 11 -3.130 -0.509 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.346 0.654 -3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.572 1.639 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.972 2.241 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.897 4.194 -3.357 1.00 0.00 H new ATOM 119 N SER A 12 -0.267 1.043 -1.807 1.00 0.00 N ATOM 120 CA SER A 12 0.979 1.350 -1.126 1.00 0.00 C ATOM 121 C SER A 12 1.436 2.766 -1.482 1.00 0.00 C ATOM 122 O SER A 12 1.434 3.146 -2.652 1.00 0.00 O ATOM 123 CB SER A 12 2.067 0.335 -1.484 1.00 0.00 C ATOM 124 OG SER A 12 1.936 -0.873 -0.740 1.00 0.00 O ATOM 0 H SER A 12 -0.159 0.720 -2.769 1.00 0.00 H new ATOM 0 HA SER A 12 0.804 1.291 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.018 0.112 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.047 0.773 -1.295 1.00 0.00 H new ATOM 0 HG SER A 12 1.599 -1.583 -1.326 1.00 0.00 H new ATOM 130 N VAL A 13 1.816 3.508 -0.453 1.00 0.00 N ATOM 131 CA VAL A 13 2.274 4.873 -0.643 1.00 0.00 C ATOM 132 C VAL A 13 3.782 4.869 -0.904 1.00 0.00 C ATOM 133 O VAL A 13 4.548 4.293 -0.133 1.00 0.00 O ATOM 134 CB VAL A 13 1.879 5.730 0.562 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.321 7.182 0.370 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.375 5.645 0.825 1.00 0.00 C ATOM 0 H VAL A 13 1.816 3.189 0.516 1.00 0.00 H new ATOM 0 HA VAL A 13 1.794 5.319 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 13 2.395 5.336 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.028 7.770 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.404 7.220 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.846 7.592 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.121 6.263 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.168 6.001 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.099 4.610 1.027 1.00 0.00 H new ATOM 146 N ILE A 14 4.163 5.518 -1.995 1.00 0.00 N ATOM 147 CA ILE A 14 5.565 5.596 -2.368 1.00 0.00 C ATOM 148 C ILE A 14 6.075 7.017 -2.121 1.00 0.00 C ATOM 149 O ILE A 14 5.726 7.942 -2.852 1.00 0.00 O ATOM 150 CB ILE A 14 5.764 5.112 -3.806 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.740 4.035 -4.169 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.201 4.636 -4.030 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.018 2.736 -3.411 1.00 0.00 C ATOM 0 H ILE A 14 3.525 5.995 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 14 6.163 4.930 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 14 5.596 5.955 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.736 4.389 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.769 3.847 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.316 4.297 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.891 5.458 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.422 3.813 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.276 1.987 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.013 2.372 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.964 2.922 -2.338 1.00 0.00 H new ATOM 165 N VAL A 15 6.894 7.146 -1.087 1.00 0.00 N ATOM 166 CA VAL A 15 7.456 8.438 -0.734 1.00 0.00 C ATOM 167 C VAL A 15 8.981 8.376 -0.853 1.00 0.00 C ATOM 168 O VAL A 15 9.661 7.925 0.068 1.00 0.00 O ATOM 169 CB VAL A 15 6.982 8.852 0.660 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.860 7.637 1.581 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.910 9.908 1.264 1.00 0.00 C ATOM 0 H VAL A 15 7.182 6.376 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 15 7.107 9.207 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 15 5.992 9.296 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.521 7.959 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.140 6.934 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.831 7.151 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.550 10.185 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.919 9.503 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.923 10.790 0.624 1.00 0.00 H new ATOM 181 N VAL A 16 9.472 8.835 -1.994 1.00 0.00 N ATOM 182 CA VAL A 16 10.904 8.838 -2.245 1.00 0.00 C ATOM 183 C VAL A 16 11.543 10.021 -1.516 1.00 0.00 C ATOM 184 O VAL A 16 12.214 10.847 -2.134 1.00 0.00 O ATOM 185 CB VAL A 16 11.171 8.849 -3.752 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.417 7.716 -4.451 1.00 0.00 C ATOM 187 CG2 VAL A 16 10.811 10.205 -4.362 1.00 0.00 C ATOM 0 H VAL A 16 8.905 9.208 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 16 11.362 7.930 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 16 12.238 8.685 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.624 7.747 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.743 6.758 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.346 7.835 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.010 10.186 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.754 10.411 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.412 10.985 -3.895 1.00 0.00 H new ATOM 197 N ASN A 17 11.312 10.066 -0.212 1.00 0.00 N ATOM 198 CA ASN A 17 11.857 11.135 0.608 1.00 0.00 C ATOM 199 C ASN A 17 11.450 10.912 2.066 1.00 0.00 C ATOM 200 O ASN A 17 10.905 9.863 2.408 1.00 0.00 O ATOM 201 CB ASN A 17 11.316 12.497 0.169 1.00 0.00 C ATOM 202 CG ASN A 17 12.411 13.335 -0.494 1.00 0.00 C ATOM 203 OD1 ASN A 17 13.388 13.727 0.123 1.00 0.00 O ATOM 204 ND2 ASN A 17 12.195 13.586 -1.782 1.00 0.00 N ATOM 0 H ASN A 17 10.755 9.380 0.297 1.00 0.00 H new ATOM 0 HA ASN A 17 12.941 11.125 0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.489 12.356 -0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.918 13.030 1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.869 14.137 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.356 13.228 -2.238 1.00 0.00 H new ATOM 211 N LYS A 18 11.729 11.915 2.885 1.00 0.00 N ATOM 212 CA LYS A 18 11.399 11.842 4.298 1.00 0.00 C ATOM 213 C LYS A 18 10.487 13.014 4.666 1.00 0.00 C ATOM 214 O LYS A 18 9.509 12.841 5.391 1.00 0.00 O ATOM 215 CB LYS A 18 12.672 11.764 5.143 1.00 0.00 C ATOM 216 CG LYS A 18 13.486 10.516 4.794 1.00 0.00 C ATOM 217 CD LYS A 18 13.394 9.472 5.909 1.00 0.00 C ATOM 218 CE LYS A 18 13.322 8.057 5.332 1.00 0.00 C ATOM 219 NZ LYS A 18 13.177 7.061 6.417 1.00 0.00 N ATOM 0 H LYS A 18 12.180 12.783 2.597 1.00 0.00 H new ATOM 0 HA LYS A 18 10.846 10.928 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.277 12.655 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.410 11.748 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.121 10.089 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.528 10.791 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.261 9.557 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.512 9.664 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.479 7.981 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.223 7.847 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.130 6.106 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.994 7.123 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.305 7.253 6.950 1.00 0.00 H new ATOM 233 N GLN A 19 10.841 14.182 4.149 1.00 0.00 N ATOM 234 CA GLN A 19 10.067 15.383 4.414 1.00 0.00 C ATOM 235 C GLN A 19 8.570 15.070 4.372 1.00 0.00 C ATOM 236 O GLN A 19 7.811 15.533 5.221 1.00 0.00 O ATOM 237 CB GLN A 19 10.423 16.494 3.424 1.00 0.00 C ATOM 238 CG GLN A 19 10.759 17.794 4.157 1.00 0.00 C ATOM 239 CD GLN A 19 12.269 18.037 4.179 1.00 0.00 C ATOM 240 OE1 GLN A 19 12.934 17.880 5.190 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.772 18.427 3.011 1.00 0.00 N ATOM 0 H GLN A 19 11.653 14.322 3.548 1.00 0.00 H new ATOM 0 HA GLN A 19 10.316 15.739 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.273 16.185 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.588 16.661 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.260 18.631 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.380 17.749 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.159 18.539 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.771 18.614 2.923 1.00 0.00 H new ATOM 250 N THR A 20 8.190 14.285 3.374 1.00 0.00 N ATOM 251 CA THR A 20 6.797 13.905 3.210 1.00 0.00 C ATOM 252 C THR A 20 6.500 12.620 3.986 1.00 0.00 C ATOM 253 O THR A 20 5.973 11.660 3.425 1.00 0.00 O ATOM 254 CB THR A 20 6.512 13.789 1.711 1.00 0.00 C ATOM 255 OG1 THR A 20 7.696 13.204 1.176 1.00 0.00 O ATOM 256 CG2 THR A 20 6.428 15.154 1.024 1.00 0.00 C ATOM 0 H THR A 20 8.822 13.902 2.671 1.00 0.00 H new ATOM 0 HA THR A 20 6.129 14.660 3.625 1.00 0.00 H new ATOM 0 HB THR A 20 5.578 13.248 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.596 13.091 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.224 15.015 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.626 15.739 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.374 15.682 1.146 1.00 0.00 H new ATOM 264 N LYS A 21 6.852 12.644 5.263 1.00 0.00 N ATOM 265 CA LYS A 21 6.629 11.493 6.121 1.00 0.00 C ATOM 266 C LYS A 21 5.239 11.593 6.752 1.00 0.00 C ATOM 267 O LYS A 21 4.478 10.627 6.744 1.00 0.00 O ATOM 268 CB LYS A 21 7.761 11.360 7.143 1.00 0.00 C ATOM 269 CG LYS A 21 7.317 10.526 8.347 1.00 0.00 C ATOM 270 CD LYS A 21 8.457 9.637 8.848 1.00 0.00 C ATOM 271 CE LYS A 21 7.916 8.344 9.460 1.00 0.00 C ATOM 272 NZ LYS A 21 8.919 7.739 10.364 1.00 0.00 N ATOM 0 H LYS A 21 7.290 13.442 5.724 1.00 0.00 H new ATOM 0 HA LYS A 21 6.648 10.573 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.627 10.894 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.073 12.350 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.986 11.186 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.463 9.907 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.128 9.400 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.044 10.177 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.999 8.552 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.659 7.640 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.535 6.862 10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.784 7.523 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.144 8.406 11.129 1.00 0.00 H new ATOM 286 N ASP A 22 4.950 12.772 7.285 1.00 0.00 N ATOM 287 CA ASP A 22 3.665 13.011 7.919 1.00 0.00 C ATOM 288 C ASP A 22 2.578 13.087 6.846 1.00 0.00 C ATOM 289 O ASP A 22 1.518 12.479 6.987 1.00 0.00 O ATOM 290 CB ASP A 22 3.667 14.336 8.684 1.00 0.00 C ATOM 291 CG ASP A 22 4.558 14.363 9.928 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.701 13.869 9.818 1.00 0.00 O ATOM 293 OD2 ASP A 22 4.076 14.877 10.960 1.00 0.00 O ATOM 0 H ASP A 22 5.584 13.571 7.290 1.00 0.00 H new ATOM 0 HA ASP A 22 3.474 12.193 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.989 15.128 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.645 14.567 8.983 1.00 0.00 H new ATOM 298 N TYR A 23 2.878 13.838 5.796 1.00 0.00 N ATOM 299 CA TYR A 23 1.939 14.001 4.699 1.00 0.00 C ATOM 300 C TYR A 23 1.587 12.650 4.074 1.00 0.00 C ATOM 301 O TYR A 23 0.416 12.278 4.009 1.00 0.00 O ATOM 302 CB TYR A 23 2.655 14.861 3.656 1.00 0.00 C ATOM 303 CG TYR A 23 1.940 14.924 2.305 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.118 13.914 1.382 1.00 0.00 C ATOM 305 CD2 TYR A 23 1.117 15.992 2.009 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.444 13.973 0.111 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.444 16.052 0.738 1.00 0.00 C ATOM 308 CZ TYR A 23 0.641 15.039 -0.149 1.00 0.00 C ATOM 309 OH TYR A 23 0.005 15.096 -1.350 1.00 0.00 O ATOM 0 H TYR A 23 3.758 14.340 5.682 1.00 0.00 H new ATOM 0 HA TYR A 23 1.013 14.455 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.762 15.873 4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.661 14.469 3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.763 13.079 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.978 16.783 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.573 13.188 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.202 16.882 0.494 1.00 0.00 H new ATOM 0 HH TYR A 23 0.518 15.660 -1.966 1.00 0.00 H new ATOM 319 N ALA A 24 2.621 11.951 3.630 1.00 0.00 N ATOM 320 CA ALA A 24 2.436 10.649 3.012 1.00 0.00 C ATOM 321 C ALA A 24 1.660 9.742 3.969 1.00 0.00 C ATOM 322 O ALA A 24 0.755 9.021 3.550 1.00 0.00 O ATOM 323 CB ALA A 24 3.798 10.066 2.631 1.00 0.00 C ATOM 0 H ALA A 24 3.591 12.262 3.686 1.00 0.00 H new ATOM 0 HA ALA A 24 1.853 10.738 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.659 9.089 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.296 10.734 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.411 9.959 3.526 1.00 0.00 H new ATOM 329 N GLU A 25 2.041 9.807 5.236 1.00 0.00 N ATOM 330 CA GLU A 25 1.393 9.000 6.255 1.00 0.00 C ATOM 331 C GLU A 25 -0.099 9.333 6.326 1.00 0.00 C ATOM 332 O GLU A 25 -0.876 8.593 6.928 1.00 0.00 O ATOM 333 CB GLU A 25 2.063 9.193 7.617 1.00 0.00 C ATOM 334 CG GLU A 25 3.109 8.106 7.872 1.00 0.00 C ATOM 335 CD GLU A 25 3.226 7.799 9.367 1.00 0.00 C ATOM 336 OE1 GLU A 25 3.143 8.767 10.153 1.00 0.00 O ATOM 337 OE2 GLU A 25 3.397 6.603 9.689 1.00 0.00 O ATOM 0 H GLU A 25 2.791 10.407 5.580 1.00 0.00 H new ATOM 0 HA GLU A 25 1.499 7.950 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.536 10.174 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.309 9.169 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.837 7.200 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.076 8.429 7.486 1.00 0.00 H new ATOM 344 N SER A 26 -0.454 10.447 5.703 1.00 0.00 N ATOM 345 CA SER A 26 -1.839 10.887 5.688 1.00 0.00 C ATOM 346 C SER A 26 -2.583 10.233 4.522 1.00 0.00 C ATOM 347 O SER A 26 -3.473 9.410 4.733 1.00 0.00 O ATOM 348 CB SER A 26 -1.931 12.411 5.588 1.00 0.00 C ATOM 349 OG SER A 26 -3.194 12.899 6.032 1.00 0.00 O ATOM 0 H SER A 26 0.193 11.058 5.205 1.00 0.00 H new ATOM 0 HA SER A 26 -2.305 10.582 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.138 12.862 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.767 12.717 4.555 1.00 0.00 H new ATOM 0 HG SER A 26 -3.213 13.876 5.954 1.00 0.00 H new ATOM 355 N VAL A 27 -2.192 10.623 3.318 1.00 0.00 N ATOM 356 CA VAL A 27 -2.811 10.085 2.119 1.00 0.00 C ATOM 357 C VAL A 27 -2.848 8.558 2.210 1.00 0.00 C ATOM 358 O VAL A 27 -3.731 7.920 1.639 1.00 0.00 O ATOM 359 CB VAL A 27 -2.074 10.592 0.877 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.076 9.550 0.369 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.062 10.988 -0.223 1.00 0.00 C ATOM 0 H VAL A 27 -1.454 11.306 3.147 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.841 10.431 2.033 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.513 11.483 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.566 9.935 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.343 9.338 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.607 8.634 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.513 11.345 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.662 10.122 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.716 11.780 0.143 1.00 0.00 H new ATOM 371 N GLY A 28 -1.878 8.017 2.933 1.00 0.00 N ATOM 372 CA GLY A 28 -1.789 6.577 3.107 1.00 0.00 C ATOM 373 C GLY A 28 -2.903 6.065 4.022 1.00 0.00 C ATOM 374 O GLY A 28 -3.321 4.914 3.913 1.00 0.00 O ATOM 0 H GLY A 28 -1.147 8.550 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.856 6.085 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.818 6.318 3.530 1.00 0.00 H new ATOM 378 N ARG A 29 -3.351 6.946 4.905 1.00 0.00 N ATOM 379 CA ARG A 29 -4.408 6.597 5.839 1.00 0.00 C ATOM 380 C ARG A 29 -5.775 6.954 5.251 1.00 0.00 C ATOM 381 O ARG A 29 -6.770 6.289 5.535 1.00 0.00 O ATOM 382 CB ARG A 29 -4.228 7.326 7.172 1.00 0.00 C ATOM 383 CG ARG A 29 -5.218 8.486 7.301 1.00 0.00 C ATOM 384 CD ARG A 29 -5.038 9.215 8.634 1.00 0.00 C ATOM 385 NE ARG A 29 -5.828 8.542 9.689 1.00 0.00 N ATOM 386 CZ ARG A 29 -5.924 8.983 10.951 1.00 0.00 C ATOM 387 NH1 ARG A 29 -5.281 10.098 11.323 1.00 0.00 N ATOM 388 NH2 ARG A 29 -6.663 8.308 11.842 1.00 0.00 N ATOM 0 H ARG A 29 -3.001 7.900 4.993 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.353 5.523 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.373 6.627 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.208 7.703 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.073 9.185 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.238 8.109 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.984 9.229 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.356 10.253 8.536 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.330 7.690 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.718 10.612 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.355 10.433 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.152 7.459 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.736 8.643 12.802 1.00 0.00 H new ATOM 402 N LYS A 30 -5.780 8.003 4.442 1.00 0.00 N ATOM 403 CA LYS A 30 -7.008 8.456 3.811 1.00 0.00 C ATOM 404 C LYS A 30 -7.681 7.275 3.109 1.00 0.00 C ATOM 405 O LYS A 30 -8.902 7.131 3.162 1.00 0.00 O ATOM 406 CB LYS A 30 -6.730 9.644 2.888 1.00 0.00 C ATOM 407 CG LYS A 30 -7.019 10.969 3.596 1.00 0.00 C ATOM 408 CD LYS A 30 -6.152 11.123 4.847 1.00 0.00 C ATOM 409 CE LYS A 30 -7.017 11.213 6.105 1.00 0.00 C ATOM 410 NZ LYS A 30 -6.290 11.919 7.184 1.00 0.00 N ATOM 0 H LYS A 30 -4.953 8.553 4.209 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.709 8.823 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.690 9.621 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.346 9.565 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.830 11.798 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.073 11.016 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.472 10.275 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.537 12.018 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.945 11.739 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.291 10.212 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.687 11.647 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.283 11.661 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.389 12.946 7.055 1.00 0.00 H new ATOM 424 N VAL A 31 -6.856 6.461 2.468 1.00 0.00 N ATOM 425 CA VAL A 31 -7.357 5.297 1.756 1.00 0.00 C ATOM 426 C VAL A 31 -7.846 4.258 2.767 1.00 0.00 C ATOM 427 O VAL A 31 -8.781 3.508 2.488 1.00 0.00 O ATOM 428 CB VAL A 31 -6.278 4.755 0.816 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.800 3.562 0.013 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.757 5.854 -0.112 1.00 0.00 C ATOM 0 H VAL A 31 -5.844 6.584 2.426 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.208 5.568 1.131 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.444 4.409 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.014 3.196 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.100 2.767 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.659 3.872 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.991 5.442 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.579 6.244 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.329 6.660 0.483 1.00 0.00 H new ATOM 440 N ARG A 32 -7.194 4.247 3.920 1.00 0.00 N ATOM 441 CA ARG A 32 -7.551 3.312 4.973 1.00 0.00 C ATOM 442 C ARG A 32 -8.917 3.672 5.562 1.00 0.00 C ATOM 443 O ARG A 32 -9.668 2.793 5.980 1.00 0.00 O ATOM 444 CB ARG A 32 -6.505 3.315 6.090 1.00 0.00 C ATOM 445 CG ARG A 32 -5.162 2.785 5.585 1.00 0.00 C ATOM 446 CD ARG A 32 -4.275 2.340 6.750 1.00 0.00 C ATOM 447 NE ARG A 32 -3.705 3.523 7.432 1.00 0.00 N ATOM 448 CZ ARG A 32 -2.590 4.154 7.036 1.00 0.00 C ATOM 449 NH1 ARG A 32 -1.920 3.719 5.961 1.00 0.00 N ATOM 450 NH2 ARG A 32 -2.147 5.220 7.716 1.00 0.00 N ATOM 0 H ARG A 32 -6.420 4.871 4.148 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.593 2.316 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.380 4.328 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.853 2.701 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.329 1.946 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.654 3.560 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.858 1.748 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.473 1.700 6.383 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.190 3.881 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.258 2.908 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.072 4.199 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.658 5.551 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.299 5.700 7.415 1.00 0.00 H new ATOM 464 N ASP A 33 -9.197 4.967 5.575 1.00 0.00 N ATOM 465 CA ASP A 33 -10.459 5.454 6.105 1.00 0.00 C ATOM 466 C ASP A 33 -11.612 4.847 5.304 1.00 0.00 C ATOM 467 O ASP A 33 -12.757 4.855 5.754 1.00 0.00 O ATOM 468 CB ASP A 33 -10.554 6.977 5.991 1.00 0.00 C ATOM 469 CG ASP A 33 -11.837 7.590 6.555 1.00 0.00 C ATOM 470 OD1 ASP A 33 -12.886 7.413 5.900 1.00 0.00 O ATOM 471 OD2 ASP A 33 -11.739 8.221 7.630 1.00 0.00 O ATOM 0 H ASP A 33 -8.572 5.694 5.227 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.517 5.167 7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.701 7.419 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.469 7.253 4.940 1.00 0.00 H new ATOM 476 N LEU A 34 -11.270 4.336 4.130 1.00 0.00 N ATOM 477 CA LEU A 34 -12.263 3.726 3.262 1.00 0.00 C ATOM 478 C LEU A 34 -12.328 2.224 3.545 1.00 0.00 C ATOM 479 O LEU A 34 -13.251 1.544 3.100 1.00 0.00 O ATOM 480 CB LEU A 34 -11.974 4.064 1.798 1.00 0.00 C ATOM 481 CG LEU A 34 -11.338 5.431 1.538 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.499 5.411 0.259 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.398 6.533 1.511 1.00 0.00 C ATOM 0 H LEU A 34 -10.320 4.332 3.760 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.253 4.133 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.316 3.296 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.910 4.009 1.242 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.662 5.655 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.058 6.395 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.706 4.670 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.134 5.154 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.919 7.494 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.118 6.326 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.914 6.565 2.471 1.00 0.00 H new ATOM 495 N GLY A 35 -11.335 1.750 4.284 1.00 0.00 N ATOM 496 CA GLY A 35 -11.268 0.341 4.632 1.00 0.00 C ATOM 497 C GLY A 35 -10.326 -0.412 3.690 1.00 0.00 C ATOM 498 O GLY A 35 -10.504 -1.606 3.452 1.00 0.00 O ATOM 0 H GLY A 35 -10.571 2.317 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.923 0.233 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.265 -0.097 4.582 1.00 0.00 H new ATOM 502 N MET A 36 -9.345 0.317 3.179 1.00 0.00 N ATOM 503 CA MET A 36 -8.375 -0.267 2.268 1.00 0.00 C ATOM 504 C MET A 36 -6.988 -0.334 2.912 1.00 0.00 C ATOM 505 O MET A 36 -6.541 0.630 3.532 1.00 0.00 O ATOM 506 CB MET A 36 -8.305 0.571 0.990 1.00 0.00 C ATOM 507 CG MET A 36 -9.590 0.434 0.173 1.00 0.00 C ATOM 508 SD MET A 36 -9.440 1.338 -1.358 1.00 0.00 S ATOM 509 CE MET A 36 -8.147 0.396 -2.150 1.00 0.00 C ATOM 0 H MET A 36 -9.201 1.307 3.378 1.00 0.00 H new ATOM 0 HA MET A 36 -8.694 -1.282 2.030 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.143 1.618 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.453 0.254 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.788 -0.618 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.437 0.811 0.746 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.222 0.512 -3.231 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.175 0.757 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.253 -0.657 -1.890 1.00 0.00 H new ATOM 519 N VAL A 37 -6.347 -1.481 2.744 1.00 0.00 N ATOM 520 CA VAL A 37 -5.021 -1.686 3.301 1.00 0.00 C ATOM 521 C VAL A 37 -4.030 -0.750 2.605 1.00 0.00 C ATOM 522 O VAL A 37 -3.902 -0.774 1.382 1.00 0.00 O ATOM 523 CB VAL A 37 -4.629 -3.160 3.190 1.00 0.00 C ATOM 524 CG1 VAL A 37 -3.367 -3.455 4.003 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.782 -4.068 3.620 1.00 0.00 C ATOM 0 H VAL A 37 -6.721 -2.278 2.230 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.011 -1.440 4.363 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.410 -3.370 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.110 -4.510 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.543 -2.846 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.547 -3.220 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.477 -5.111 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.047 -3.854 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.646 -3.887 2.980 1.00 0.00 H new ATOM 535 N VAL A 38 -3.355 0.053 3.415 1.00 0.00 N ATOM 536 CA VAL A 38 -2.380 0.995 2.893 1.00 0.00 C ATOM 537 C VAL A 38 -1.122 0.955 3.763 1.00 0.00 C ATOM 538 O VAL A 38 -1.193 0.637 4.949 1.00 0.00 O ATOM 539 CB VAL A 38 -2.999 2.391 2.800 1.00 0.00 C ATOM 540 CG1 VAL A 38 -1.977 3.411 2.292 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.248 2.380 1.918 1.00 0.00 C ATOM 0 H VAL A 38 -3.464 0.070 4.429 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.084 0.717 1.881 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.301 2.691 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.442 4.395 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.130 3.449 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.630 3.116 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.668 3.385 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.982 2.049 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.986 1.699 2.341 1.00 0.00 H new ATOM 551 N ASP A 39 0.001 1.282 3.140 1.00 0.00 N ATOM 552 CA ASP A 39 1.272 1.287 3.842 1.00 0.00 C ATOM 553 C ASP A 39 2.135 2.437 3.317 1.00 0.00 C ATOM 554 O ASP A 39 1.812 3.045 2.298 1.00 0.00 O ATOM 555 CB ASP A 39 2.034 -0.019 3.612 1.00 0.00 C ATOM 556 CG ASP A 39 3.463 -0.039 4.158 1.00 0.00 C ATOM 557 OD1 ASP A 39 4.351 0.478 3.446 1.00 0.00 O ATOM 558 OD2 ASP A 39 3.636 -0.572 5.276 1.00 0.00 O ATOM 0 H ASP A 39 0.056 1.545 2.156 1.00 0.00 H new ATOM 0 HA ASP A 39 1.069 1.403 4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.474 -0.834 4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.068 -0.219 2.541 1.00 0.00 H new ATOM 563 N LEU A 40 3.216 2.699 4.037 1.00 0.00 N ATOM 564 CA LEU A 40 4.128 3.765 3.656 1.00 0.00 C ATOM 565 C LEU A 40 5.481 3.161 3.275 1.00 0.00 C ATOM 566 O LEU A 40 6.050 2.377 4.033 1.00 0.00 O ATOM 567 CB LEU A 40 4.214 4.817 4.764 1.00 0.00 C ATOM 568 CG LEU A 40 3.650 6.198 4.423 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.120 6.183 4.433 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.219 7.268 5.356 1.00 0.00 C ATOM 0 H LEU A 40 3.481 2.192 4.882 1.00 0.00 H new ATOM 0 HA LEU A 40 3.755 4.290 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.687 4.438 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.260 4.933 5.047 1.00 0.00 H new ATOM 0 HG LEU A 40 3.963 6.454 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.745 7.177 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.758 5.466 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.765 5.896 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.802 8.240 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.957 7.029 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.304 7.299 5.255 1.00 0.00 H new ATOM 582 N ILE A 41 5.956 3.548 2.101 1.00 0.00 N ATOM 583 CA ILE A 41 7.231 3.055 1.610 1.00 0.00 C ATOM 584 C ILE A 41 8.236 4.208 1.563 1.00 0.00 C ATOM 585 O ILE A 41 8.102 5.120 0.748 1.00 0.00 O ATOM 586 CB ILE A 41 7.050 2.343 0.268 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.545 0.913 0.470 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.339 2.385 -0.554 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.425 0.180 -0.868 1.00 0.00 C ATOM 0 H ILE A 41 5.480 4.198 1.475 1.00 0.00 H new ATOM 0 HA ILE A 41 7.636 2.306 2.290 1.00 0.00 H new ATOM 0 HB ILE A 41 6.289 2.876 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.227 0.372 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.575 0.933 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.182 1.872 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.616 3.422 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.139 1.891 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.064 -0.834 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.724 0.711 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.402 0.141 -1.350 1.00 0.00 H new ATOM 601 N PHE A 42 9.219 4.130 2.448 1.00 0.00 N ATOM 602 CA PHE A 42 10.246 5.156 2.518 1.00 0.00 C ATOM 603 C PHE A 42 11.496 4.735 1.744 1.00 0.00 C ATOM 604 O PHE A 42 11.945 3.595 1.856 1.00 0.00 O ATOM 605 CB PHE A 42 10.608 5.327 3.995 1.00 0.00 C ATOM 606 CG PHE A 42 9.618 6.188 4.782 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.669 7.544 4.684 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.689 5.598 5.581 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.751 8.343 5.416 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.771 6.398 6.312 1.00 0.00 C ATOM 611 CZ PHE A 42 7.821 7.753 6.214 1.00 0.00 C ATOM 0 H PHE A 42 9.326 3.372 3.123 1.00 0.00 H new ATOM 0 HA PHE A 42 9.876 6.083 2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.668 4.343 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.599 5.774 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.407 8.013 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.649 4.522 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.791 9.419 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.033 5.930 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.122 8.361 6.770 1.00 0.00 H new ATOM 621 N LEU A 43 12.024 5.677 0.976 1.00 0.00 N ATOM 622 CA LEU A 43 13.214 5.417 0.184 1.00 0.00 C ATOM 623 C LEU A 43 14.199 6.575 0.357 1.00 0.00 C ATOM 624 O LEU A 43 13.808 7.740 0.307 1.00 0.00 O ATOM 625 CB LEU A 43 12.838 5.142 -1.273 1.00 0.00 C ATOM 626 CG LEU A 43 11.480 4.475 -1.501 1.00 0.00 C ATOM 627 CD1 LEU A 43 10.978 4.725 -2.925 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.540 2.982 -1.169 1.00 0.00 C ATOM 0 H LEU A 43 11.649 6.621 0.886 1.00 0.00 H new ATOM 0 HA LEU A 43 13.716 4.515 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.852 6.087 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.609 4.510 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 43 10.759 4.928 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.011 4.240 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.873 5.797 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.692 4.316 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.562 2.532 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.279 2.497 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.822 2.853 -0.124 1.00 0.00 H new ATOM 640 N ASN A 44 15.458 6.213 0.557 1.00 0.00 N ATOM 641 CA ASN A 44 16.502 7.207 0.738 1.00 0.00 C ATOM 642 C ASN A 44 17.860 6.506 0.812 1.00 0.00 C ATOM 643 O ASN A 44 18.082 5.665 1.681 1.00 0.00 O ATOM 644 CB ASN A 44 16.301 7.987 2.039 1.00 0.00 C ATOM 645 CG ASN A 44 16.795 9.428 1.896 1.00 0.00 C ATOM 646 OD1 ASN A 44 17.863 9.794 2.358 1.00 0.00 O ATOM 647 ND2 ASN A 44 15.960 10.223 1.233 1.00 0.00 N ATOM 0 H ASN A 44 15.778 5.245 0.598 1.00 0.00 H new ATOM 0 HA ASN A 44 16.461 7.896 -0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.245 7.986 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.837 7.494 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.199 11.204 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.081 9.852 0.872 1.00 0.00 H new ATOM 654 N THR A 45 18.734 6.879 -0.112 1.00 0.00 N ATOM 655 CA THR A 45 20.064 6.297 -0.163 1.00 0.00 C ATOM 656 C THR A 45 19.990 4.781 0.024 1.00 0.00 C ATOM 657 O THR A 45 20.829 4.194 0.706 1.00 0.00 O ATOM 658 CB THR A 45 20.927 6.998 0.888 1.00 0.00 C ATOM 659 OG1 THR A 45 20.193 6.844 2.099 1.00 0.00 O ATOM 660 CG2 THR A 45 20.990 8.512 0.679 1.00 0.00 C ATOM 0 H THR A 45 18.546 7.577 -0.831 1.00 0.00 H new ATOM 0 HA THR A 45 20.526 6.450 -1.138 1.00 0.00 H new ATOM 0 HB THR A 45 21.936 6.586 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.767 5.961 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.615 8.960 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.415 8.727 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.985 8.930 0.738 1.00 0.00 H new ATOM 668 N GLU A 46 18.977 4.189 -0.592 1.00 0.00 N ATOM 669 CA GLU A 46 18.782 2.752 -0.501 1.00 0.00 C ATOM 670 C GLU A 46 18.375 2.185 -1.863 1.00 0.00 C ATOM 671 O GLU A 46 19.147 1.466 -2.495 1.00 0.00 O ATOM 672 CB GLU A 46 17.745 2.406 0.569 1.00 0.00 C ATOM 673 CG GLU A 46 18.159 1.156 1.349 1.00 0.00 C ATOM 674 CD GLU A 46 17.140 0.830 2.443 1.00 0.00 C ATOM 675 OE1 GLU A 46 16.070 0.296 2.080 1.00 0.00 O ATOM 676 OE2 GLU A 46 17.454 1.123 3.617 1.00 0.00 O ATOM 0 H GLU A 46 18.282 4.679 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 46 19.726 2.294 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.630 3.246 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.774 2.242 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.249 0.310 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.141 1.311 1.796 1.00 0.00 H new ATOM 683 N VAL A 47 17.164 2.529 -2.274 1.00 0.00 N ATOM 684 CA VAL A 47 16.645 2.063 -3.548 1.00 0.00 C ATOM 685 C VAL A 47 15.956 3.224 -4.269 1.00 0.00 C ATOM 686 O VAL A 47 15.905 4.338 -3.750 1.00 0.00 O ATOM 687 CB VAL A 47 15.723 0.862 -3.331 1.00 0.00 C ATOM 688 CG1 VAL A 47 16.467 -0.284 -2.644 1.00 0.00 C ATOM 689 CG2 VAL A 47 14.479 1.264 -2.534 1.00 0.00 C ATOM 0 H VAL A 47 16.527 3.126 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 47 17.458 1.719 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 47 15.396 0.509 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.788 -1.125 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.307 -0.596 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.837 0.051 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.840 0.392 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.780 1.654 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.930 2.032 -3.079 1.00 0.00 H new ATOM 699 N SER A 48 15.443 2.923 -5.453 1.00 0.00 N ATOM 700 CA SER A 48 14.760 3.927 -6.249 1.00 0.00 C ATOM 701 C SER A 48 13.246 3.728 -6.156 1.00 0.00 C ATOM 702 O SER A 48 12.780 2.697 -5.673 1.00 0.00 O ATOM 703 CB SER A 48 15.213 3.874 -7.710 1.00 0.00 C ATOM 704 OG SER A 48 14.346 4.615 -8.565 1.00 0.00 O ATOM 0 H SER A 48 15.487 1.998 -5.880 1.00 0.00 H new ATOM 0 HA SER A 48 15.016 4.909 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 48 16.226 4.269 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.249 2.836 -8.041 1.00 0.00 H new ATOM 0 HG SER A 48 14.670 4.558 -9.488 1.00 0.00 H new ATOM 710 N LEU A 49 12.518 4.730 -6.626 1.00 0.00 N ATOM 711 CA LEU A 49 11.067 4.678 -6.601 1.00 0.00 C ATOM 712 C LEU A 49 10.596 3.390 -7.280 1.00 0.00 C ATOM 713 O LEU A 49 9.850 2.610 -6.689 1.00 0.00 O ATOM 714 CB LEU A 49 10.474 5.948 -7.215 1.00 0.00 C ATOM 715 CG LEU A 49 8.977 6.168 -6.987 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.429 7.237 -7.935 1.00 0.00 C ATOM 717 CD2 LEU A 49 8.206 4.851 -7.102 1.00 0.00 C ATOM 0 H LEU A 49 12.907 5.584 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 49 10.705 4.649 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.012 6.807 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.659 5.929 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 49 8.837 6.536 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.363 7.374 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.951 8.178 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.582 6.921 -8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.145 5.035 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.350 4.431 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.574 4.148 -6.355 1.00 0.00 H new ATOM 729 N SER A 50 11.050 3.207 -8.511 1.00 0.00 N ATOM 730 CA SER A 50 10.684 2.027 -9.276 1.00 0.00 C ATOM 731 C SER A 50 10.880 0.770 -8.425 1.00 0.00 C ATOM 732 O SER A 50 10.026 -0.114 -8.411 1.00 0.00 O ATOM 733 CB SER A 50 11.505 1.929 -10.563 1.00 0.00 C ATOM 734 OG SER A 50 12.895 1.760 -10.300 1.00 0.00 O ATOM 0 H SER A 50 11.668 3.856 -8.998 1.00 0.00 H new ATOM 0 HA SER A 50 9.633 2.111 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.145 1.091 -11.159 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.356 2.830 -11.157 1.00 0.00 H new ATOM 0 HG SER A 50 13.383 1.700 -11.148 1.00 0.00 H new ATOM 740 N GLN A 51 12.011 0.732 -7.736 1.00 0.00 N ATOM 741 CA GLN A 51 12.330 -0.402 -6.885 1.00 0.00 C ATOM 742 C GLN A 51 11.138 -0.746 -5.990 1.00 0.00 C ATOM 743 O GLN A 51 10.894 -1.916 -5.698 1.00 0.00 O ATOM 744 CB GLN A 51 13.581 -0.124 -6.048 1.00 0.00 C ATOM 745 CG GLN A 51 14.663 -1.173 -6.315 1.00 0.00 C ATOM 746 CD GLN A 51 15.162 -1.090 -7.760 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.504 -1.514 -8.696 1.00 0.00 O ATOM 748 NE2 GLN A 51 16.358 -0.522 -7.887 1.00 0.00 N ATOM 0 H GLN A 51 12.717 1.468 -7.750 1.00 0.00 H new ATOM 0 HA GLN A 51 12.541 -1.261 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.966 0.869 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.322 -0.125 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.497 -1.023 -5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.265 -2.169 -6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.855 -0.189 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.779 -0.420 -8.811 1.00 0.00 H new ATOM 757 N ALA A 52 10.427 0.294 -5.580 1.00 0.00 N ATOM 758 CA ALA A 52 9.265 0.116 -4.725 1.00 0.00 C ATOM 759 C ALA A 52 8.072 -0.323 -5.577 1.00 0.00 C ATOM 760 O ALA A 52 7.272 -1.153 -5.149 1.00 0.00 O ATOM 761 CB ALA A 52 8.991 1.412 -3.960 1.00 0.00 C ATOM 0 H ALA A 52 10.633 1.263 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 52 9.447 -0.665 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.120 1.279 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.857 1.663 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.801 2.219 -4.668 1.00 0.00 H new ATOM 767 N LEU A 53 7.992 0.255 -6.766 1.00 0.00 N ATOM 768 CA LEU A 53 6.910 -0.066 -7.682 1.00 0.00 C ATOM 769 C LEU A 53 6.997 -1.544 -8.070 1.00 0.00 C ATOM 770 O LEU A 53 5.982 -2.238 -8.117 1.00 0.00 O ATOM 771 CB LEU A 53 6.921 0.886 -8.880 1.00 0.00 C ATOM 772 CG LEU A 53 6.514 2.332 -8.591 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.488 3.161 -9.876 1.00 0.00 C ATOM 774 CD2 LEU A 53 5.178 2.387 -7.846 1.00 0.00 C ATOM 0 H LEU A 53 8.658 0.943 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 53 5.945 0.080 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.924 0.890 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.252 0.487 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 53 7.266 2.775 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.196 4.185 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.479 3.161 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.770 2.729 -10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.912 3.426 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.403 1.921 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.267 1.853 -6.900 1.00 0.00 H new ATOM 786 N GLU A 54 8.219 -1.981 -8.338 1.00 0.00 N ATOM 787 CA GLU A 54 8.451 -3.363 -8.720 1.00 0.00 C ATOM 788 C GLU A 54 7.991 -4.307 -7.607 1.00 0.00 C ATOM 789 O GLU A 54 7.549 -5.422 -7.878 1.00 0.00 O ATOM 790 CB GLU A 54 9.924 -3.597 -9.063 1.00 0.00 C ATOM 791 CG GLU A 54 10.252 -5.091 -9.083 1.00 0.00 C ATOM 792 CD GLU A 54 11.547 -5.358 -9.852 1.00 0.00 C ATOM 793 OE1 GLU A 54 11.558 -5.060 -11.066 1.00 0.00 O ATOM 794 OE2 GLU A 54 12.497 -5.854 -9.209 1.00 0.00 O ATOM 0 H GLU A 54 9.058 -1.402 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 54 7.865 -3.575 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.149 -3.159 -10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.556 -3.092 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.349 -5.459 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.431 -5.641 -9.544 1.00 0.00 H new ATOM 801 N ASP A 55 8.110 -3.824 -6.379 1.00 0.00 N ATOM 802 CA ASP A 55 7.711 -4.610 -5.224 1.00 0.00 C ATOM 803 C ASP A 55 6.205 -4.459 -5.005 1.00 0.00 C ATOM 804 O ASP A 55 5.575 -5.312 -4.382 1.00 0.00 O ATOM 805 CB ASP A 55 8.424 -4.130 -3.958 1.00 0.00 C ATOM 806 CG ASP A 55 8.700 -5.219 -2.919 1.00 0.00 C ATOM 807 OD1 ASP A 55 8.069 -6.291 -3.040 1.00 0.00 O ATOM 808 OD2 ASP A 55 9.535 -4.954 -2.027 1.00 0.00 O ATOM 0 H ASP A 55 8.477 -2.898 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 55 7.977 -5.649 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.371 -3.673 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.821 -3.350 -3.493 1.00 0.00 H new ATOM 813 N VAL A 56 5.670 -3.365 -5.528 1.00 0.00 N ATOM 814 CA VAL A 56 4.249 -3.091 -5.397 1.00 0.00 C ATOM 815 C VAL A 56 3.460 -4.096 -6.239 1.00 0.00 C ATOM 816 O VAL A 56 2.424 -4.596 -5.805 1.00 0.00 O ATOM 817 CB VAL A 56 3.960 -1.637 -5.776 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.479 -1.440 -6.106 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.406 -0.682 -4.667 1.00 0.00 C ATOM 0 H VAL A 56 6.195 -2.658 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 56 3.930 -3.213 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 56 4.537 -1.404 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.301 -0.398 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.205 -2.080 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.875 -1.701 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.189 0.345 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.870 -0.916 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.477 -0.793 -4.500 1.00 0.00 H new ATOM 829 N SER A 57 3.981 -4.361 -7.428 1.00 0.00 N ATOM 830 CA SER A 57 3.338 -5.297 -8.334 1.00 0.00 C ATOM 831 C SER A 57 3.580 -6.733 -7.863 1.00 0.00 C ATOM 832 O SER A 57 2.633 -7.487 -7.646 1.00 0.00 O ATOM 833 CB SER A 57 3.847 -5.116 -9.766 1.00 0.00 C ATOM 834 OG SER A 57 4.156 -6.362 -10.384 1.00 0.00 O ATOM 0 H SER A 57 4.841 -3.944 -7.785 1.00 0.00 H new ATOM 0 HA SER A 57 2.267 -5.095 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.092 -4.596 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.736 -4.485 -9.758 1.00 0.00 H new ATOM 0 HG SER A 57 4.476 -6.204 -11.297 1.00 0.00 H new ATOM 840 N ARG A 58 4.854 -7.067 -7.717 1.00 0.00 N ATOM 841 CA ARG A 58 5.233 -8.398 -7.275 1.00 0.00 C ATOM 842 C ARG A 58 4.653 -8.681 -5.888 1.00 0.00 C ATOM 843 O ARG A 58 4.250 -9.807 -5.598 1.00 0.00 O ATOM 844 CB ARG A 58 6.754 -8.550 -7.225 1.00 0.00 C ATOM 845 CG ARG A 58 7.285 -8.290 -5.814 1.00 0.00 C ATOM 846 CD ARG A 58 8.815 -8.294 -5.794 1.00 0.00 C ATOM 847 NE ARG A 58 9.305 -7.947 -4.441 1.00 0.00 N ATOM 848 CZ ARG A 58 9.231 -8.765 -3.383 1.00 0.00 C ATOM 849 NH1 ARG A 58 8.687 -9.982 -3.514 1.00 0.00 N ATOM 850 NH2 ARG A 58 9.701 -8.366 -2.193 1.00 0.00 N ATOM 0 H ARG A 58 5.637 -6.438 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 58 4.832 -9.113 -7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.033 -9.554 -7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.216 -7.854 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.916 -7.330 -5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.907 -9.053 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.188 -9.276 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.198 -7.580 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 58 9.725 -7.027 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.329 -10.286 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.631 -10.605 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.115 -7.439 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.645 -8.989 -1.387 1.00 0.00 H new ATOM 864 N GLY A 59 4.630 -7.641 -5.067 1.00 0.00 N ATOM 865 CA GLY A 59 4.106 -7.764 -3.717 1.00 0.00 C ATOM 866 C GLY A 59 2.608 -8.073 -3.736 1.00 0.00 C ATOM 867 O GLY A 59 2.101 -8.760 -2.851 1.00 0.00 O ATOM 0 H GLY A 59 4.966 -6.709 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.637 -8.555 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.283 -6.839 -3.169 1.00 0.00 H new ATOM 871 N GLY A 60 1.942 -7.550 -4.755 1.00 0.00 N ATOM 872 CA GLY A 60 0.511 -7.761 -4.901 1.00 0.00 C ATOM 873 C GLY A 60 -0.240 -6.428 -4.928 1.00 0.00 C ATOM 874 O GLY A 60 -1.306 -6.325 -5.532 1.00 0.00 O ATOM 0 H GLY A 60 2.366 -6.981 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.313 -8.313 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.144 -8.373 -4.077 1.00 0.00 H new ATOM 878 N SER A 61 0.347 -5.442 -4.266 1.00 0.00 N ATOM 879 CA SER A 61 -0.253 -4.120 -4.207 1.00 0.00 C ATOM 880 C SER A 61 -0.857 -3.758 -5.565 1.00 0.00 C ATOM 881 O SER A 61 -0.133 -3.584 -6.544 1.00 0.00 O ATOM 882 CB SER A 61 0.773 -3.067 -3.784 1.00 0.00 C ATOM 883 OG SER A 61 0.757 -2.840 -2.378 1.00 0.00 O ATOM 0 H SER A 61 1.231 -5.532 -3.766 1.00 0.00 H new ATOM 0 HA SER A 61 -1.045 -4.137 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.769 -3.389 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.568 -2.132 -4.304 1.00 0.00 H new ATOM 0 HG SER A 61 -0.076 -2.388 -2.129 1.00 0.00 H new ATOM 889 N PRO A 62 -2.213 -3.651 -5.581 1.00 0.00 N ATOM 890 CA PRO A 62 -2.922 -3.312 -6.803 1.00 0.00 C ATOM 891 C PRO A 62 -2.767 -1.827 -7.134 1.00 0.00 C ATOM 892 O PRO A 62 -2.632 -1.457 -8.299 1.00 0.00 O ATOM 893 CB PRO A 62 -4.365 -3.716 -6.546 1.00 0.00 C ATOM 894 CG PRO A 62 -4.502 -3.832 -5.036 1.00 0.00 C ATOM 895 CD PRO A 62 -3.103 -3.849 -4.441 1.00 0.00 C ATOM 0 HA PRO A 62 -2.526 -3.831 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.056 -2.973 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.598 -4.663 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.075 -2.994 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.041 -4.741 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.978 -3.060 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.898 -4.794 -3.938 1.00 0.00 H new ATOM 903 N PHE A 63 -2.791 -1.015 -6.087 1.00 0.00 N ATOM 904 CA PHE A 63 -2.654 0.422 -6.251 1.00 0.00 C ATOM 905 C PHE A 63 -1.365 0.929 -5.602 1.00 0.00 C ATOM 906 O PHE A 63 -0.870 0.331 -4.647 1.00 0.00 O ATOM 907 CB PHE A 63 -3.851 1.069 -5.552 1.00 0.00 C ATOM 908 CG PHE A 63 -5.208 0.587 -6.069 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.293 -0.049 -7.268 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.331 0.796 -5.329 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.552 -0.495 -7.748 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.590 0.349 -5.809 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.674 -0.287 -7.009 1.00 0.00 C ATOM 0 H PHE A 63 -2.903 -1.325 -5.122 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.618 0.672 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.788 0.866 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.790 2.150 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.402 -0.215 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.264 1.302 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.619 -1.000 -8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.481 0.514 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.632 -0.627 -7.374 1.00 0.00 H new ATOM 923 N ALA A 64 -0.856 2.025 -6.145 1.00 0.00 N ATOM 924 CA ALA A 64 0.366 2.618 -5.631 1.00 0.00 C ATOM 925 C ALA A 64 0.251 4.143 -5.687 1.00 0.00 C ATOM 926 O ALA A 64 0.020 4.712 -6.753 1.00 0.00 O ATOM 927 CB ALA A 64 1.563 2.093 -6.427 1.00 0.00 C ATOM 0 H ALA A 64 -1.269 2.518 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 64 0.520 2.338 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.480 2.538 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.617 1.009 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.445 2.358 -7.478 1.00 0.00 H new ATOM 933 N ILE A 65 0.418 4.760 -4.527 1.00 0.00 N ATOM 934 CA ILE A 65 0.335 6.208 -4.431 1.00 0.00 C ATOM 935 C ILE A 65 1.743 6.801 -4.521 1.00 0.00 C ATOM 936 O ILE A 65 2.663 6.328 -3.857 1.00 0.00 O ATOM 937 CB ILE A 65 -0.426 6.619 -3.170 1.00 0.00 C ATOM 938 CG1 ILE A 65 -1.938 6.559 -3.397 1.00 0.00 C ATOM 939 CG2 ILE A 65 0.026 7.997 -2.681 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.679 6.284 -2.088 1.00 0.00 C ATOM 0 H ILE A 65 0.610 4.284 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.237 6.613 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.191 5.904 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.283 7.501 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.170 5.778 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.531 8.265 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.092 7.971 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.160 8.738 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.752 6.246 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.350 5.330 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.465 7.080 -1.374 1.00 0.00 H new ATOM 952 N VAL A 66 1.865 7.829 -5.348 1.00 0.00 N ATOM 953 CA VAL A 66 3.145 8.492 -5.533 1.00 0.00 C ATOM 954 C VAL A 66 3.164 9.790 -4.723 1.00 0.00 C ATOM 955 O VAL A 66 2.279 10.632 -4.872 1.00 0.00 O ATOM 956 CB VAL A 66 3.409 8.714 -7.024 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.577 10.202 -7.336 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.627 7.914 -7.490 1.00 0.00 C ATOM 0 H VAL A 66 1.099 8.219 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 66 3.956 7.866 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 66 2.541 8.353 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.764 10.331 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.668 10.737 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.419 10.600 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.793 8.090 -8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.506 8.230 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.451 6.852 -7.321 1.00 0.00 H new ATOM 968 N ILE A 67 4.182 9.911 -3.884 1.00 0.00 N ATOM 969 CA ILE A 67 4.328 11.092 -3.050 1.00 0.00 C ATOM 970 C ILE A 67 5.713 11.703 -3.276 1.00 0.00 C ATOM 971 O ILE A 67 6.644 11.006 -3.677 1.00 0.00 O ATOM 972 CB ILE A 67 4.035 10.755 -1.587 1.00 0.00 C ATOM 973 CG1 ILE A 67 2.762 9.915 -1.462 1.00 0.00 C ATOM 974 CG2 ILE A 67 3.970 12.024 -0.734 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.514 10.797 -1.520 1.00 0.00 C ATOM 0 H ILE A 67 4.914 9.211 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 67 3.596 11.849 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 67 4.858 10.152 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.728 9.178 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.778 9.363 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.760 11.756 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.925 12.548 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.179 12.674 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.624 10.174 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.539 11.517 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.489 11.329 -2.471 1.00 0.00 H new ATOM 987 N THR A 68 5.805 12.997 -3.007 1.00 0.00 N ATOM 988 CA THR A 68 7.060 13.708 -3.176 1.00 0.00 C ATOM 989 C THR A 68 6.900 15.176 -2.772 1.00 0.00 C ATOM 990 O THR A 68 5.877 15.560 -2.208 1.00 0.00 O ATOM 991 CB THR A 68 7.519 13.523 -4.623 1.00 0.00 C ATOM 992 OG1 THR A 68 8.936 13.407 -4.527 1.00 0.00 O ATOM 993 CG2 THR A 68 7.304 14.778 -5.471 1.00 0.00 C ATOM 0 H THR A 68 5.031 13.571 -2.673 1.00 0.00 H new ATOM 0 HA THR A 68 7.833 13.305 -2.522 1.00 0.00 H new ATOM 0 HB THR A 68 6.981 12.687 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.315 13.282 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.647 14.592 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.244 15.030 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.868 15.607 -5.044 1.00 0.00 H new ATOM 1001 N GLN A 69 7.926 15.956 -3.079 1.00 0.00 N ATOM 1002 CA GLN A 69 7.912 17.372 -2.755 1.00 0.00 C ATOM 1003 C GLN A 69 6.695 18.049 -3.390 1.00 0.00 C ATOM 1004 O GLN A 69 5.809 18.529 -2.684 1.00 0.00 O ATOM 1005 CB GLN A 69 9.210 18.049 -3.200 1.00 0.00 C ATOM 1006 CG GLN A 69 10.364 17.692 -2.261 1.00 0.00 C ATOM 1007 CD GLN A 69 11.712 18.062 -2.884 1.00 0.00 C ATOM 1008 OE1 GLN A 69 11.821 18.353 -4.064 1.00 0.00 O ATOM 1009 NE2 GLN A 69 12.729 18.035 -2.027 1.00 0.00 N ATOM 0 H GLN A 69 8.772 15.634 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 69 7.839 17.477 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.455 17.741 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.073 19.130 -3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.241 18.216 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.342 16.625 -2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.568 17.783 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.670 18.267 -2.345 1.00 0.00 H new ATOM 1018 N GLN A 70 6.691 18.066 -4.715 1.00 0.00 N ATOM 1019 CA GLN A 70 5.598 18.677 -5.452 1.00 0.00 C ATOM 1020 C GLN A 70 4.256 18.129 -4.962 1.00 0.00 C ATOM 1021 O GLN A 70 3.426 18.878 -4.449 1.00 0.00 O ATOM 1022 CB GLN A 70 5.763 18.458 -6.957 1.00 0.00 C ATOM 1023 CG GLN A 70 5.488 19.749 -7.732 1.00 0.00 C ATOM 1024 CD GLN A 70 6.585 20.010 -8.767 1.00 0.00 C ATOM 1025 OE1 GLN A 70 7.594 19.327 -8.827 1.00 0.00 O ATOM 1026 NE2 GLN A 70 6.332 21.035 -9.576 1.00 0.00 N ATOM 0 H GLN A 70 7.427 17.666 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 70 5.618 19.751 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.774 18.111 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.081 17.676 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.521 19.679 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.429 20.588 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.467 21.566 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.003 21.290 -10.301 1.00 0.00 H new ATOM 1035 N HIS A 71 4.086 16.827 -5.137 1.00 0.00 N ATOM 1036 CA HIS A 71 2.859 16.170 -4.719 1.00 0.00 C ATOM 1037 C HIS A 71 2.389 16.759 -3.387 1.00 0.00 C ATOM 1038 O HIS A 71 1.192 16.950 -3.176 1.00 0.00 O ATOM 1039 CB HIS A 71 3.047 14.652 -4.662 1.00 0.00 C ATOM 1040 CG HIS A 71 3.261 14.009 -6.011 1.00 0.00 C ATOM 1041 ND1 HIS A 71 2.473 13.988 -7.124 1.00 0.00 N flip ATOM 1042 CD2 HIS A 71 4.399 13.286 -6.324 1.00 0.00 C flip ATOM 1043 CE1 HIS A 71 3.095 13.290 -8.066 1.00 0.00 C flip ATOM 1044 NE2 HIS A 71 4.289 12.854 -7.572 1.00 0.00 N flip ATOM 0 H HIS A 71 4.777 16.209 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 71 2.076 16.354 -5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.901 14.426 -4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.171 14.205 -4.193 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.560 14.433 -7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.234 13.105 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.718 13.099 -9.060 1.00 0.00 H new ATOM 1052 N GLN A 72 3.356 17.031 -2.523 1.00 0.00 N ATOM 1053 CA GLN A 72 3.057 17.594 -1.218 1.00 0.00 C ATOM 1054 C GLN A 72 2.350 18.943 -1.371 1.00 0.00 C ATOM 1055 O GLN A 72 1.237 19.124 -0.880 1.00 0.00 O ATOM 1056 CB GLN A 72 4.327 17.734 -0.376 1.00 0.00 C ATOM 1057 CG GLN A 72 3.990 17.825 1.114 1.00 0.00 C ATOM 1058 CD GLN A 72 4.901 18.830 1.821 1.00 0.00 C ATOM 1059 OE1 GLN A 72 4.464 19.846 2.338 1.00 0.00 O ATOM 1060 NE2 GLN A 72 6.187 18.492 1.815 1.00 0.00 N ATOM 0 H GLN A 72 4.348 16.872 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 72 2.387 16.911 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.981 16.880 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.875 18.625 -0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.949 18.123 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.098 16.843 1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.485 17.627 1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.876 19.098 2.261 1.00 0.00 H new ATOM 1069 N ILE A 73 3.026 19.854 -2.055 1.00 0.00 N ATOM 1070 CA ILE A 73 2.476 21.181 -2.280 1.00 0.00 C ATOM 1071 C ILE A 73 1.061 21.053 -2.846 1.00 0.00 C ATOM 1072 O ILE A 73 0.086 21.373 -2.168 1.00 0.00 O ATOM 1073 CB ILE A 73 3.417 22.009 -3.157 1.00 0.00 C ATOM 1074 CG1 ILE A 73 4.793 22.151 -2.503 1.00 0.00 C ATOM 1075 CG2 ILE A 73 2.799 23.367 -3.494 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.902 22.169 -3.558 1.00 0.00 C ATOM 0 H ILE A 73 3.949 19.700 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 73 2.395 21.724 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 73 3.562 21.479 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.828 23.070 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.958 21.325 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.488 23.936 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.862 23.217 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.605 23.917 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.870 22.271 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.879 21.239 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.748 23.010 -4.234 1.00 0.00 H new ATOM 1088 N HIS A 74 0.993 20.584 -4.084 1.00 0.00 N ATOM 1089 CA HIS A 74 -0.287 20.409 -4.749 1.00 0.00 C ATOM 1090 C HIS A 74 -1.186 19.506 -3.903 1.00 0.00 C ATOM 1091 O HIS A 74 -2.405 19.510 -4.066 1.00 0.00 O ATOM 1092 CB HIS A 74 -0.092 19.885 -6.173 1.00 0.00 C ATOM 1093 CG HIS A 74 0.585 20.865 -7.101 1.00 0.00 C ATOM 1094 ND1 HIS A 74 0.000 22.059 -7.486 1.00 0.00 N ATOM 1095 CD2 HIS A 74 1.801 20.816 -7.716 1.00 0.00 C ATOM 1096 CE1 HIS A 74 0.836 22.692 -8.296 1.00 0.00 C ATOM 1097 NE2 HIS A 74 1.951 21.920 -8.438 1.00 0.00 N ATOM 0 H HIS A 74 1.804 20.320 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.786 21.373 -4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.498 18.970 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.064 19.620 -6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.520 20.015 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.664 23.651 -8.762 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.766 22.152 -9.005 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.550 18.754 -3.017 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.277 17.848 -2.144 1.00 0.00 C ATOM 1107 C ARG A 75 -1.947 16.744 -2.965 1.00 0.00 C ATOM 1108 O ARG A 75 -2.954 16.176 -2.544 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.343 18.595 -1.340 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.817 18.980 0.043 1.00 0.00 C ATOM 1111 CD ARG A 75 -2.083 20.458 0.340 1.00 0.00 C ATOM 1112 NE ARG A 75 -3.126 20.585 1.382 1.00 0.00 N ATOM 1113 CZ ARG A 75 -4.442 20.583 1.132 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -4.885 20.462 -0.127 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -5.316 20.704 2.140 1.00 0.00 N ATOM 0 H ARG A 75 0.461 18.754 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.560 17.407 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.648 19.492 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.229 17.969 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.295 18.361 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.747 18.782 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.164 20.942 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.401 20.969 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.824 20.680 2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.220 20.371 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.887 20.460 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.979 20.798 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.318 20.702 1.949 1.00 0.00 H new ATOM 1129 N SER A 76 -1.362 16.474 -4.123 1.00 0.00 N ATOM 1130 CA SER A 76 -1.890 15.449 -5.007 1.00 0.00 C ATOM 1131 C SER A 76 -0.816 14.397 -5.289 1.00 0.00 C ATOM 1132 O SER A 76 0.371 14.717 -5.347 1.00 0.00 O ATOM 1133 CB SER A 76 -2.395 16.057 -6.317 1.00 0.00 C ATOM 1134 OG SER A 76 -3.617 16.768 -6.140 1.00 0.00 O ATOM 0 H SER A 76 -0.528 16.947 -4.469 1.00 0.00 H new ATOM 0 HA SER A 76 -2.735 14.972 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.639 16.731 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.540 15.265 -7.052 1.00 0.00 H new ATOM 0 HG SER A 76 -3.905 17.142 -6.999 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.269 13.164 -5.457 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.361 12.063 -5.732 1.00 0.00 C ATOM 1142 C CYS A 77 -0.826 11.365 -7.011 1.00 0.00 C ATOM 1143 O CYS A 77 -1.869 11.707 -7.565 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.274 11.093 -4.551 1.00 0.00 C ATOM 1145 SG CYS A 77 -1.935 10.841 -3.825 1.00 0.00 S ATOM 0 H CYS A 77 -2.254 12.902 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 77 0.649 12.448 -5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.136 10.139 -4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.406 11.487 -3.796 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.851 10.015 -2.825 1.00 0.00 H new ATOM 1151 N THR A 78 -0.029 10.398 -7.443 1.00 0.00 N ATOM 1152 CA THR A 78 -0.346 9.649 -8.647 1.00 0.00 C ATOM 1153 C THR A 78 -0.743 8.214 -8.293 1.00 0.00 C ATOM 1154 O THR A 78 0.052 7.469 -7.722 1.00 0.00 O ATOM 1155 CB THR A 78 0.859 9.732 -9.586 1.00 0.00 C ATOM 1156 OG1 THR A 78 0.869 11.089 -10.020 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.654 8.931 -10.873 1.00 0.00 C ATOM 0 H THR A 78 0.835 10.116 -6.981 1.00 0.00 H new ATOM 0 HA THR A 78 -1.208 10.074 -9.162 1.00 0.00 H new ATOM 0 HB THR A 78 1.747 9.368 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.703 11.273 -10.500 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.538 9.024 -11.504 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.492 7.882 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.215 9.316 -11.407 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.972 7.870 -8.646 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.485 6.538 -8.373 1.00 0.00 C ATOM 1167 C VAL A 79 -2.174 5.624 -9.560 1.00 0.00 C ATOM 1168 O VAL A 79 -2.713 5.811 -10.650 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.978 6.609 -8.047 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.545 5.214 -7.771 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.238 7.549 -6.869 1.00 0.00 C ATOM 0 H VAL A 79 -2.629 8.491 -9.119 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.995 6.112 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.493 7.014 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.608 5.292 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.409 4.585 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.023 4.770 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.307 7.581 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.706 7.186 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.887 8.550 -7.118 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.307 4.655 -9.308 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.918 3.711 -10.342 1.00 0.00 C ATOM 1183 C ASN A 80 -1.454 2.322 -9.987 1.00 0.00 C ATOM 1184 O ASN A 80 -1.235 1.834 -8.879 1.00 0.00 O ATOM 1185 CB ASN A 80 0.604 3.615 -10.457 1.00 0.00 C ATOM 1186 CG ASN A 80 1.223 4.993 -10.705 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.687 5.823 -11.421 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.378 5.188 -10.076 1.00 0.00 N ATOM 0 H ASN A 80 -0.863 4.503 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.329 4.061 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.015 3.187 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.869 2.941 -11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.871 6.075 -10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.771 4.450 -9.491 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.145 1.726 -10.947 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.713 0.404 -10.749 1.00 0.00 C ATOM 1197 C ILE A 81 -1.740 -0.650 -11.280 1.00 0.00 C ATOM 1198 O ILE A 81 -1.061 -0.425 -12.282 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.108 0.321 -11.372 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.140 1.043 -10.503 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.503 -1.132 -11.643 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.500 1.104 -11.203 1.00 0.00 C ATOM 0 H ILE A 81 -2.324 2.134 -11.864 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.851 0.205 -9.686 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.083 0.832 -12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.241 0.527 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.794 2.053 -10.284 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.499 -1.162 -12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.787 -1.582 -12.330 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.506 -1.689 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.215 1.622 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.400 1.641 -12.146 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.855 0.092 -11.398 1.00 0.00 H new ATOM 1214 N MET A 82 -1.701 -1.778 -10.586 1.00 0.00 N ATOM 1215 CA MET A 82 -0.821 -2.867 -10.975 1.00 0.00 C ATOM 1216 C MET A 82 -1.617 -4.025 -11.581 1.00 0.00 C ATOM 1217 O MET A 82 -1.092 -4.787 -12.391 1.00 0.00 O ATOM 1218 CB MET A 82 -0.050 -3.363 -9.751 1.00 0.00 C ATOM 1219 CG MET A 82 0.844 -2.259 -9.182 1.00 0.00 C ATOM 1220 SD MET A 82 1.998 -1.706 -10.425 1.00 0.00 S ATOM 1221 CE MET A 82 3.228 -0.936 -9.386 1.00 0.00 C ATOM 0 H MET A 82 -2.265 -1.961 -9.756 1.00 0.00 H new ATOM 0 HA MET A 82 -0.125 -2.496 -11.727 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.751 -3.698 -8.987 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.559 -4.224 -10.025 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.232 -1.422 -8.844 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.385 -2.630 -8.312 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.020 -0.518 -10.008 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.765 -0.139 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.651 -1.680 -8.711 1.00 0.00 H new ATOM 1231 N PHE A 83 -2.872 -4.120 -11.166 1.00 0.00 N ATOM 1232 CA PHE A 83 -3.745 -5.172 -11.657 1.00 0.00 C ATOM 1233 C PHE A 83 -4.483 -4.726 -12.921 1.00 0.00 C ATOM 1234 O PHE A 83 -4.764 -3.541 -13.095 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.769 -5.454 -10.556 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.109 -4.741 -10.755 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -6.943 -5.128 -11.756 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.464 -3.720 -9.930 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.186 -4.467 -11.940 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.707 -3.058 -10.114 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.542 -3.446 -11.116 1.00 0.00 C ATOM 0 H PHE A 83 -3.305 -3.485 -10.495 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.159 -6.057 -11.904 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.945 -6.528 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.348 -5.153 -9.597 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.660 -5.938 -12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.801 -3.413 -9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.849 -4.775 -12.735 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.989 -2.247 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.487 -2.943 -11.257 1.00 0.00 H new ATOM 1251 N GLY A 84 -4.776 -5.699 -13.771 1.00 0.00 N ATOM 1252 CA GLY A 84 -5.475 -5.422 -15.014 1.00 0.00 C ATOM 1253 C GLY A 84 -4.698 -4.418 -15.869 1.00 0.00 C ATOM 1254 O GLY A 84 -3.521 -4.165 -15.618 1.00 0.00 O ATOM 0 H GLY A 84 -4.542 -6.681 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.614 -6.348 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.468 -5.028 -14.797 1.00 0.00 H new ATOM 1258 N THR A 85 -5.388 -3.875 -16.861 1.00 0.00 N ATOM 1259 CA THR A 85 -4.777 -2.905 -17.754 1.00 0.00 C ATOM 1260 C THR A 85 -3.954 -1.890 -16.957 1.00 0.00 C ATOM 1261 O THR A 85 -4.309 -1.545 -15.832 1.00 0.00 O ATOM 1262 CB THR A 85 -5.888 -2.265 -18.588 1.00 0.00 C ATOM 1263 OG1 THR A 85 -6.169 -3.234 -19.595 1.00 0.00 O ATOM 1264 CG2 THR A 85 -5.403 -1.043 -19.371 1.00 0.00 C ATOM 0 H THR A 85 -6.364 -4.088 -17.066 1.00 0.00 H new ATOM 0 HA THR A 85 -4.073 -3.383 -18.435 1.00 0.00 H new ATOM 0 HB THR A 85 -6.710 -1.974 -17.934 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.881 -2.901 -20.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.231 -0.627 -19.946 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.029 -0.291 -18.676 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.603 -1.340 -20.049 1.00 0.00 H new ATOM 1272 N PRO A 86 -2.842 -1.430 -17.589 1.00 0.00 N ATOM 1273 CA PRO A 86 -1.965 -0.462 -16.951 1.00 0.00 C ATOM 1274 C PRO A 86 -2.591 0.934 -16.962 1.00 0.00 C ATOM 1275 O PRO A 86 -2.571 1.620 -17.983 1.00 0.00 O ATOM 1276 CB PRO A 86 -0.664 -0.535 -17.733 1.00 0.00 C ATOM 1277 CG PRO A 86 -1.009 -1.196 -19.057 1.00 0.00 C ATOM 1278 CD PRO A 86 -2.390 -1.817 -18.922 1.00 0.00 C ATOM 0 HA PRO A 86 -1.793 -0.680 -15.897 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.247 0.460 -17.890 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.085 -1.113 -17.192 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.997 -0.463 -19.864 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.271 -1.958 -19.307 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.067 -1.448 -19.692 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.349 -2.901 -19.027 1.00 0.00 H new ATOM 1286 N GLN A 87 -3.132 1.314 -15.813 1.00 0.00 N ATOM 1287 CA GLN A 87 -3.763 2.616 -15.677 1.00 0.00 C ATOM 1288 C GLN A 87 -2.936 3.512 -14.753 1.00 0.00 C ATOM 1289 O GLN A 87 -2.721 3.178 -13.588 1.00 0.00 O ATOM 1290 CB GLN A 87 -5.199 2.479 -15.168 1.00 0.00 C ATOM 1291 CG GLN A 87 -6.206 2.719 -16.295 1.00 0.00 C ATOM 1292 CD GLN A 87 -6.327 4.210 -16.613 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -5.356 4.949 -16.632 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -7.571 4.611 -16.860 1.00 0.00 N ATOM 0 H GLN A 87 -3.146 0.743 -14.968 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.805 3.083 -16.661 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.347 1.483 -14.749 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.373 3.192 -14.362 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.894 2.177 -17.188 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.180 2.325 -16.007 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.339 3.940 -16.828 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.757 5.589 -17.082 1.00 0.00 H new ATOM 1303 N GLU A 88 -2.495 4.632 -15.306 1.00 0.00 N ATOM 1304 CA GLU A 88 -1.697 5.578 -14.545 1.00 0.00 C ATOM 1305 C GLU A 88 -2.448 6.902 -14.389 1.00 0.00 C ATOM 1306 O GLU A 88 -2.721 7.585 -15.375 1.00 0.00 O ATOM 1307 CB GLU A 88 -0.332 5.797 -15.202 1.00 0.00 C ATOM 1308 CG GLU A 88 0.732 6.132 -14.156 1.00 0.00 C ATOM 1309 CD GLU A 88 2.033 6.585 -14.822 1.00 0.00 C ATOM 1310 OE1 GLU A 88 2.156 7.806 -15.055 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.875 5.699 -15.084 1.00 0.00 O ATOM 0 H GLU A 88 -2.675 4.906 -16.272 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.524 5.161 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.040 4.901 -15.749 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.400 6.606 -15.929 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.364 6.918 -13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.923 5.258 -13.534 1.00 0.00 H new ATOM 1318 N HIS A 89 -2.762 7.224 -13.143 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.477 8.454 -12.845 1.00 0.00 C ATOM 1320 C HIS A 89 -2.596 9.365 -11.989 1.00 0.00 C ATOM 1321 O HIS A 89 -2.352 9.078 -10.818 1.00 0.00 O ATOM 1322 CB HIS A 89 -4.828 8.152 -12.193 1.00 0.00 C ATOM 1323 CG HIS A 89 -5.761 7.342 -13.060 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -6.833 7.900 -13.735 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -5.772 6.010 -13.356 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -7.454 6.939 -14.402 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -6.795 5.768 -14.166 1.00 0.00 N ATOM 0 H HIS A 89 -2.535 6.655 -12.328 1.00 0.00 H new ATOM 0 HA HIS A 89 -3.697 8.985 -13.771 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.658 7.615 -11.260 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.314 9.093 -11.935 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -7.099 8.884 -13.721 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.067 5.277 -12.993 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.329 7.061 -15.024 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.141 10.445 -12.607 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.292 11.401 -11.917 1.00 0.00 C ATOM 1337 C ARG A 90 -1.975 12.769 -11.852 1.00 0.00 C ATOM 1338 O ARG A 90 -2.963 13.006 -12.545 1.00 0.00 O ATOM 1339 CB ARG A 90 0.059 11.547 -12.621 1.00 0.00 C ATOM 1340 CG ARG A 90 -0.127 11.931 -14.090 1.00 0.00 C ATOM 1341 CD ARG A 90 0.575 13.254 -14.403 1.00 0.00 C ATOM 1342 NE ARG A 90 1.782 13.006 -15.223 1.00 0.00 N ATOM 1343 CZ ARG A 90 2.392 13.940 -15.964 1.00 0.00 C ATOM 1344 NH1 ARG A 90 1.912 15.191 -15.994 1.00 0.00 N ATOM 1345 NH2 ARG A 90 3.482 13.624 -16.677 1.00 0.00 N ATOM 0 H ARG A 90 -2.344 10.679 -13.579 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.125 11.026 -10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.656 12.306 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.611 10.610 -12.554 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.272 11.143 -14.729 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.190 12.017 -14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.105 13.919 -14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.852 13.756 -13.476 1.00 0.00 H new ATOM 0 HE ARG A 90 2.174 12.064 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.082 15.432 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.377 15.902 -16.558 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.847 12.672 -16.655 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.946 14.336 -17.241 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.422 13.632 -11.013 1.00 0.00 N ATOM 1360 CA ASN A 91 -1.966 14.969 -10.848 1.00 0.00 C ATOM 1361 C ASN A 91 -3.377 14.873 -10.265 1.00 0.00 C ATOM 1362 O ASN A 91 -4.142 15.834 -10.321 1.00 0.00 O ATOM 1363 CB ASN A 91 -2.058 15.695 -12.191 1.00 0.00 C ATOM 1364 CG ASN A 91 -2.028 17.213 -11.997 1.00 0.00 C ATOM 1365 OD1 ASN A 91 -0.949 17.802 -12.506 1.00 0.00 O flip ATOM 1366 ND2 ASN A 91 -2.925 17.809 -11.424 1.00 0.00 N flip ATOM 0 H ASN A 91 -0.602 13.431 -10.440 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.303 15.523 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.230 15.390 -12.831 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.977 15.408 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.726 17.295 -11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.874 18.822 -11.312 1.00 0.00 H new ATOM 1373 N MET A 92 -3.679 13.704 -9.719 1.00 0.00 N ATOM 1374 CA MET A 92 -4.984 13.470 -9.126 1.00 0.00 C ATOM 1375 C MET A 92 -5.041 14.007 -7.695 1.00 0.00 C ATOM 1376 O MET A 92 -4.129 13.774 -6.903 1.00 0.00 O ATOM 1377 CB MET A 92 -5.280 11.969 -9.120 1.00 0.00 C ATOM 1378 CG MET A 92 -6.018 11.550 -10.393 1.00 0.00 C ATOM 1379 SD MET A 92 -7.769 11.848 -10.210 1.00 0.00 S ATOM 1380 CE MET A 92 -8.225 10.422 -9.237 1.00 0.00 C ATOM 0 H MET A 92 -3.042 12.909 -9.675 1.00 0.00 H new ATOM 0 HA MET A 92 -5.732 13.995 -9.721 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.347 11.411 -9.036 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.882 11.717 -8.247 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.633 12.108 -11.247 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.840 10.494 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.310 10.322 -9.224 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.783 9.527 -9.675 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.860 10.545 -8.217 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.151 14.736 -7.398 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.338 15.309 -6.076 1.00 0.00 C ATOM 1392 C PRO A 93 -6.732 14.232 -5.063 1.00 0.00 C ATOM 1393 O PRO A 93 -7.435 13.282 -5.403 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.408 16.374 -6.257 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.108 16.043 -7.565 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.251 15.032 -8.310 1.00 0.00 C ATOM 0 HA PRO A 93 -5.424 15.746 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.112 16.366 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.966 17.370 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.101 15.635 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.243 16.944 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.818 14.133 -8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.885 15.440 -9.252 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.262 14.417 -3.838 1.00 0.00 N ATOM 1405 CA GLN A 94 -6.557 13.474 -2.773 1.00 0.00 C ATOM 1406 C GLN A 94 -7.989 12.952 -2.907 1.00 0.00 C ATOM 1407 O GLN A 94 -8.201 11.792 -3.257 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.330 14.109 -1.400 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.052 13.572 -0.752 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.119 14.717 -0.351 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -4.518 15.863 -0.225 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -2.857 14.343 -0.158 1.00 0.00 N ATOM 0 H GLN A 94 -5.679 15.206 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.874 12.629 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.262 15.192 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.184 13.903 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.307 12.980 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.539 12.906 -1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.590 13.366 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.156 15.033 0.113 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.935 13.835 -2.621 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.341 13.478 -2.704 1.00 0.00 C ATOM 1423 C ALA A 95 -10.558 12.554 -3.904 1.00 0.00 C ATOM 1424 O ALA A 95 -10.801 11.360 -3.737 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.187 14.751 -2.788 1.00 0.00 C ATOM 0 H ALA A 95 -8.755 14.796 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.653 12.937 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.242 14.483 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.019 15.359 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.904 15.318 -3.675 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.462 13.141 -5.088 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.645 12.386 -6.315 1.00 0.00 C ATOM 1433 C ASP A 96 -9.960 11.024 -6.178 1.00 0.00 C ATOM 1434 O ASP A 96 -10.558 9.992 -6.476 1.00 0.00 O ATOM 1435 CB ASP A 96 -10.018 13.111 -7.508 1.00 0.00 C ATOM 1436 CG ASP A 96 -10.949 14.082 -8.237 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.778 14.705 -7.539 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -10.811 14.178 -9.475 1.00 0.00 O ATOM 0 H ASP A 96 -10.260 14.132 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.716 12.273 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.144 13.661 -7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.664 12.367 -8.221 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.716 11.066 -5.725 1.00 0.00 N ATOM 1444 CA ALA A 97 -7.944 9.849 -5.544 1.00 0.00 C ATOM 1445 C ALA A 97 -8.700 8.905 -4.608 1.00 0.00 C ATOM 1446 O ALA A 97 -8.823 7.713 -4.888 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.551 10.201 -5.017 1.00 0.00 C ATOM 0 H ALA A 97 -8.223 11.924 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.812 9.334 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.972 9.288 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.044 10.849 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.643 10.718 -4.062 1.00 0.00 H new ATOM 1453 N MET A 98 -9.188 9.473 -3.514 1.00 0.00 N ATOM 1454 CA MET A 98 -9.929 8.697 -2.535 1.00 0.00 C ATOM 1455 C MET A 98 -11.201 8.109 -3.150 1.00 0.00 C ATOM 1456 O MET A 98 -11.727 7.110 -2.661 1.00 0.00 O ATOM 1457 CB MET A 98 -10.301 9.590 -1.350 1.00 0.00 C ATOM 1458 CG MET A 98 -9.172 9.631 -0.318 1.00 0.00 C ATOM 1459 SD MET A 98 -8.174 11.091 -0.562 1.00 0.00 S ATOM 1460 CE MET A 98 -6.723 10.356 -1.296 1.00 0.00 C ATOM 0 H MET A 98 -9.084 10.461 -3.285 1.00 0.00 H new ATOM 0 HA MET A 98 -9.297 7.875 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.512 10.599 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.213 9.218 -0.882 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.589 9.630 0.689 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.553 8.738 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.991 11.134 -1.514 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.290 9.635 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.000 9.850 -2.221 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.658 8.753 -4.213 1.00 0.00 N ATOM 1471 CA VAL A 99 -12.858 8.307 -4.900 1.00 0.00 C ATOM 1472 C VAL A 99 -12.484 7.240 -5.931 1.00 0.00 C ATOM 1473 O VAL A 99 -13.111 6.183 -5.992 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.585 9.504 -5.516 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.532 9.451 -7.045 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.030 9.583 -5.020 1.00 0.00 C ATOM 0 H VAL A 99 -11.219 9.581 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.553 7.849 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.071 10.410 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.056 10.313 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.493 9.467 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.009 8.535 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.524 10.443 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.560 8.672 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.037 9.691 -3.935 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.464 7.553 -6.716 1.00 0.00 N ATOM 1487 CA LEU A 100 -10.998 6.635 -7.741 1.00 0.00 C ATOM 1488 C LEU A 100 -10.556 5.326 -7.084 1.00 0.00 C ATOM 1489 O LEU A 100 -10.615 4.265 -7.704 1.00 0.00 O ATOM 1490 CB LEU A 100 -9.912 7.291 -8.596 1.00 0.00 C ATOM 1491 CG LEU A 100 -8.895 6.342 -9.233 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.832 6.543 -10.748 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.521 6.491 -8.577 1.00 0.00 C ATOM 0 H LEU A 100 -10.947 8.430 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.807 6.390 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.396 7.859 -9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.372 8.007 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.226 5.318 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.102 5.856 -11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.812 6.347 -11.182 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.537 7.569 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.817 5.805 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.168 7.515 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.598 6.259 -7.515 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.124 5.443 -5.837 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.673 4.282 -5.089 1.00 0.00 C ATOM 1507 C VAL A 101 -10.878 3.601 -4.437 1.00 0.00 C ATOM 1508 O VAL A 101 -11.049 2.388 -4.554 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.600 4.695 -4.079 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.232 5.127 -2.754 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.588 3.568 -3.863 1.00 0.00 C ATOM 0 H VAL A 101 -10.077 6.324 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.210 3.554 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.065 5.551 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.448 5.415 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.895 5.975 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.804 4.299 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.836 3.887 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.102 2.685 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.103 3.328 -4.809 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.681 4.410 -3.763 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.865 3.901 -3.091 1.00 0.00 C ATOM 1523 C ALA A 102 -13.748 3.172 -4.106 1.00 0.00 C ATOM 1524 O ALA A 102 -14.489 2.259 -3.747 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.598 5.054 -2.403 1.00 0.00 C ATOM 0 H ALA A 102 -11.535 5.415 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.589 3.184 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.486 4.672 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.938 5.520 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.893 5.793 -3.148 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.639 3.603 -5.355 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.418 3.002 -6.424 1.00 0.00 C ATOM 1533 C ARG A 103 -13.703 1.765 -6.971 1.00 0.00 C ATOM 1534 O ARG A 103 -14.131 0.638 -6.727 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.646 3.997 -7.564 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.376 5.245 -7.065 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.800 5.307 -7.621 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.764 5.579 -9.076 1.00 0.00 N ATOM 1539 CZ ARG A 103 -16.546 6.789 -9.608 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -16.343 7.846 -8.810 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -16.530 6.943 -10.939 1.00 0.00 N ATOM 0 H ARG A 103 -13.023 4.361 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.384 2.713 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.688 4.282 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.228 3.523 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.407 5.241 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.826 6.137 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.315 4.365 -7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.365 6.087 -7.111 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.915 4.797 -9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.354 7.730 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.177 8.767 -9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.684 6.139 -11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.364 7.864 -11.344 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.626 2.017 -7.701 1.00 0.00 N ATOM 1556 CA ASN A 104 -11.848 0.937 -8.284 1.00 0.00 C ATOM 1557 C ASN A 104 -11.763 -0.220 -7.288 1.00 0.00 C ATOM 1558 O ASN A 104 -11.979 -1.375 -7.652 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.423 1.395 -8.601 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.347 2.029 -9.992 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -9.952 1.408 -10.965 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -10.746 3.297 -10.030 1.00 0.00 N ATOM 0 H ASN A 104 -12.274 2.953 -7.902 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.340 0.625 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.093 2.114 -7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -9.743 0.544 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.733 3.810 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.065 3.757 -9.177 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.448 0.129 -6.049 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.331 -0.867 -4.997 1.00 0.00 C ATOM 1571 C TYR A 105 -12.521 -1.828 -5.018 1.00 0.00 C ATOM 1572 O TYR A 105 -12.347 -3.033 -5.192 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.341 -0.091 -3.679 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.441 -0.977 -2.436 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.945 -2.265 -2.465 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.026 -0.489 -1.286 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -11.039 -3.099 -1.295 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.120 -1.323 -0.116 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.622 -2.587 -0.178 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.711 -3.375 0.927 1.00 0.00 O ATOM 0 H TYR A 105 -11.270 1.088 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.425 -1.458 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.432 0.507 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.180 0.605 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.487 -2.647 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.414 0.519 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.655 -4.108 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.576 -0.953 0.791 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.362 -2.890 1.704 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.704 -1.259 -4.839 1.00 0.00 N ATOM 1591 CA GLU A 106 -14.922 -2.051 -4.835 1.00 0.00 C ATOM 1592 C GLU A 106 -15.042 -2.847 -6.136 1.00 0.00 C ATOM 1593 O GLU A 106 -15.463 -4.003 -6.123 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.151 -1.165 -4.619 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.027 -0.362 -3.323 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.116 -0.761 -2.325 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -17.283 -1.984 -2.127 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -17.756 0.166 -1.783 1.00 0.00 O ATOM 0 H GLU A 106 -13.845 -0.259 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 106 -14.872 -2.755 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.266 -0.485 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.048 -1.783 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.045 -0.528 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.102 0.703 -3.542 1.00 0.00 H new ATOM 1605 N ARG A 107 -14.664 -2.198 -7.227 1.00 0.00 N ATOM 1606 CA ARG A 107 -14.723 -2.831 -8.533 1.00 0.00 C ATOM 1607 C ARG A 107 -13.749 -4.009 -8.597 1.00 0.00 C ATOM 1608 O ARG A 107 -14.155 -5.143 -8.847 1.00 0.00 O ATOM 1609 CB ARG A 107 -14.383 -1.836 -9.644 1.00 0.00 C ATOM 1610 CG ARG A 107 -14.990 -0.462 -9.354 1.00 0.00 C ATOM 1611 CD ARG A 107 -15.448 0.219 -10.646 1.00 0.00 C ATOM 1612 NE ARG A 107 -14.973 1.620 -10.675 1.00 0.00 N ATOM 1613 CZ ARG A 107 -15.100 2.435 -11.731 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -15.689 1.993 -12.851 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -14.640 3.692 -11.667 1.00 0.00 N ATOM 0 H ARG A 107 -14.315 -1.239 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.742 -3.189 -8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -13.301 -1.747 -9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.757 -2.209 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.837 -0.570 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -14.255 0.165 -8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.061 -0.323 -11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.536 0.193 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.520 1.989 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.040 1.037 -12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.786 2.613 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.193 4.029 -10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.737 4.312 -12.471 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.481 -3.700 -8.367 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.445 -4.719 -8.395 1.00 0.00 C ATOM 1631 C TYR A 108 -11.920 -6.003 -7.712 1.00 0.00 C ATOM 1632 O TYR A 108 -11.490 -7.097 -8.072 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.266 -4.143 -7.609 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.364 -5.204 -6.975 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -8.479 -5.915 -7.759 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -9.434 -5.448 -5.618 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -7.630 -6.914 -7.162 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -8.585 -6.447 -5.022 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.725 -7.130 -5.823 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.923 -8.073 -5.260 1.00 0.00 O ATOM 0 H TYR A 108 -12.148 -2.758 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.180 -4.969 -9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -9.667 -3.522 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.649 -3.491 -6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.423 -5.723 -8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.125 -4.890 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.934 -7.479 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.631 -6.649 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 108 -7.098 -8.119 -4.297 1.00 0.00 H new ATOM 1650 N LYS A 109 -12.801 -5.826 -6.738 1.00 0.00 N ATOM 1651 CA LYS A 109 -13.339 -6.956 -6.001 1.00 0.00 C ATOM 1652 C LYS A 109 -14.445 -7.618 -6.826 1.00 0.00 C ATOM 1653 O LYS A 109 -14.484 -8.841 -6.952 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.790 -6.521 -4.605 1.00 0.00 C ATOM 1655 CG LYS A 109 -12.751 -6.902 -3.549 1.00 0.00 C ATOM 1656 CD LYS A 109 -13.326 -6.763 -2.138 1.00 0.00 C ATOM 1657 CE LYS A 109 -13.870 -5.352 -1.905 1.00 0.00 C ATOM 1658 NZ LYS A 109 -15.343 -5.382 -1.762 1.00 0.00 N ATOM 0 H LYS A 109 -13.155 -4.916 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.566 -7.708 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.950 -5.443 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.745 -6.988 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.422 -7.928 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.872 -6.265 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.123 -7.493 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.553 -6.985 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.420 -4.926 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.593 -4.707 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.696 -4.417 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.768 -5.769 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.601 -5.981 -0.952 1.00 0.00 H new ATOM 1672 N ASN A 110 -15.318 -6.780 -7.366 1.00 0.00 N ATOM 1673 CA ASN A 110 -16.421 -7.268 -8.176 1.00 0.00 C ATOM 1674 C ASN A 110 -15.906 -8.334 -9.144 1.00 0.00 C ATOM 1675 O ASN A 110 -16.617 -9.287 -9.460 1.00 0.00 O ATOM 1676 CB ASN A 110 -17.039 -6.138 -9.002 1.00 0.00 C ATOM 1677 CG ASN A 110 -17.844 -5.186 -8.115 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -18.241 -5.514 -7.009 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -18.062 -3.993 -8.660 1.00 0.00 N ATOM 0 H ASN A 110 -15.284 -5.766 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 110 -17.175 -7.679 -7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -16.252 -5.585 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -17.686 -6.558 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.590 -3.287 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -17.701 -3.784 -9.591 1.00 0.00 H new ATOM 1686 N GLU A 111 -14.672 -8.139 -9.587 1.00 0.00 N ATOM 1687 CA GLU A 111 -14.053 -9.073 -10.512 1.00 0.00 C ATOM 1688 C GLU A 111 -13.239 -10.118 -9.746 1.00 0.00 C ATOM 1689 O GLU A 111 -13.043 -11.233 -10.229 1.00 0.00 O ATOM 1690 CB GLU A 111 -13.181 -8.338 -11.531 1.00 0.00 C ATOM 1691 CG GLU A 111 -14.034 -7.471 -12.460 1.00 0.00 C ATOM 1692 CD GLU A 111 -14.342 -8.207 -13.766 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -15.288 -9.024 -13.748 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -13.625 -7.934 -14.753 1.00 0.00 O ATOM 0 H GLU A 111 -14.085 -7.348 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.842 -9.587 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.455 -7.714 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.616 -9.061 -12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.965 -7.204 -11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.510 -6.540 -12.678 1.00 0.00 H new ATOM 1701 N CYS A 112 -12.787 -9.721 -8.566 1.00 0.00 N ATOM 1702 CA CYS A 112 -11.999 -10.610 -7.729 1.00 0.00 C ATOM 1703 C CYS A 112 -12.867 -11.812 -7.353 1.00 0.00 C ATOM 1704 O CYS A 112 -12.633 -12.923 -7.825 1.00 0.00 O ATOM 1705 CB CYS A 112 -11.456 -9.889 -6.493 1.00 0.00 C ATOM 1706 SG CYS A 112 -10.201 -10.930 -5.663 1.00 0.00 S ATOM 0 H CYS A 112 -12.951 -8.796 -8.169 1.00 0.00 H new ATOM 0 HA CYS A 112 -11.125 -10.954 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -11.015 -8.935 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -12.271 -9.668 -5.804 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.745 -10.308 -4.617 1.00 0.00 H new ATOM 1712 N ARG A 113 -13.852 -11.548 -6.507 1.00 0.00 N ATOM 1713 CA ARG A 113 -14.757 -12.594 -6.062 1.00 0.00 C ATOM 1714 C ARG A 113 -15.094 -13.533 -7.223 1.00 0.00 C ATOM 1715 O ARG A 113 -14.978 -14.751 -7.094 1.00 0.00 O ATOM 1716 CB ARG A 113 -16.052 -12.002 -5.503 1.00 0.00 C ATOM 1717 CG ARG A 113 -16.847 -13.055 -4.729 1.00 0.00 C ATOM 1718 CD ARG A 113 -17.072 -12.619 -3.280 1.00 0.00 C ATOM 1719 NE ARG A 113 -18.054 -13.513 -2.628 1.00 0.00 N ATOM 1720 CZ ARG A 113 -19.382 -13.398 -2.767 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -19.894 -12.427 -3.536 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -20.198 -14.255 -2.138 1.00 0.00 N ATOM 0 H ARG A 113 -14.043 -10.625 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.255 -13.152 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -15.819 -11.163 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -16.659 -11.610 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -17.808 -13.220 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -16.313 -14.005 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -16.129 -12.642 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -17.431 -11.590 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 113 -17.698 -14.264 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -19.273 -11.775 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -20.905 -12.340 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -19.808 -14.995 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -21.209 -14.168 -2.244 1.00 0.00 H new ATOM 1736 N GLU A 114 -15.504 -12.931 -8.329 1.00 0.00 N ATOM 1737 CA GLU A 114 -15.858 -13.698 -9.511 1.00 0.00 C ATOM 1738 C GLU A 114 -14.636 -14.451 -10.042 1.00 0.00 C ATOM 1739 O GLU A 114 -13.901 -13.935 -10.881 1.00 0.00 O ATOM 1740 CB GLU A 114 -16.457 -12.796 -10.592 1.00 0.00 C ATOM 1741 CG GLU A 114 -16.762 -13.590 -11.863 1.00 0.00 C ATOM 1742 CD GLU A 114 -15.770 -13.246 -12.976 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -15.507 -12.036 -13.148 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -15.296 -14.201 -13.629 1.00 0.00 O ATOM 0 H GLU A 114 -15.599 -11.921 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.617 -14.428 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.371 -12.334 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.763 -11.988 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.717 -14.658 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.777 -13.374 -12.196 1.00 0.00 H new ATOM 1751 N LYS A 115 -14.457 -15.660 -9.529 1.00 0.00 N ATOM 1752 CA LYS A 115 -13.337 -16.489 -9.941 1.00 0.00 C ATOM 1753 C LYS A 115 -13.685 -17.194 -11.253 1.00 0.00 C ATOM 1754 O LYS A 115 -14.388 -18.204 -11.252 1.00 0.00 O ATOM 1755 CB LYS A 115 -12.937 -17.446 -8.815 1.00 0.00 C ATOM 1756 CG LYS A 115 -11.416 -17.504 -8.660 1.00 0.00 C ATOM 1757 CD LYS A 115 -10.884 -16.234 -7.993 1.00 0.00 C ATOM 1758 CE LYS A 115 -9.389 -16.058 -8.264 1.00 0.00 C ATOM 1759 NZ LYS A 115 -9.027 -14.623 -8.264 1.00 0.00 N ATOM 0 H LYS A 115 -15.069 -16.085 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.458 -15.874 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.390 -17.121 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.323 -18.443 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.141 -18.374 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.952 -17.627 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.429 -15.367 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.059 -16.283 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.811 -16.585 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.133 -16.504 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.009 -14.522 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.565 -14.129 -9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.253 -14.208 -7.338 1.00 0.00 H new ATOM 1773 N GLU A 116 -13.178 -16.635 -12.341 1.00 0.00 N ATOM 1774 CA GLU A 116 -13.426 -17.197 -13.657 1.00 0.00 C ATOM 1775 C GLU A 116 -14.896 -17.020 -14.042 1.00 0.00 C ATOM 1776 O GLU A 116 -15.781 -17.139 -13.195 1.00 0.00 O ATOM 1777 CB GLU A 116 -13.019 -18.671 -13.709 1.00 0.00 C ATOM 1778 CG GLU A 116 -12.814 -19.133 -15.153 1.00 0.00 C ATOM 1779 CD GLU A 116 -12.597 -20.646 -15.220 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -13.580 -21.372 -14.959 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -11.453 -21.043 -15.530 1.00 0.00 O ATOM 0 H GLU A 116 -12.596 -15.798 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.814 -16.659 -14.381 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.100 -18.818 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.787 -19.281 -13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.682 -18.860 -15.753 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.955 -18.619 -15.584 1.00 0.00 H new ATOM 1788 N ARG A 117 -15.112 -16.740 -15.318 1.00 0.00 N ATOM 1789 CA ARG A 117 -16.459 -16.545 -15.825 1.00 0.00 C ATOM 1790 C ARG A 117 -17.125 -15.360 -15.122 1.00 0.00 C ATOM 1791 O ARG A 117 -17.392 -15.416 -13.923 1.00 0.00 O ATOM 1792 CB ARG A 117 -17.313 -17.798 -15.616 1.00 0.00 C ATOM 1793 CG ARG A 117 -16.740 -18.986 -16.391 1.00 0.00 C ATOM 1794 CD ARG A 117 -17.614 -19.323 -17.601 1.00 0.00 C ATOM 1795 NE ARG A 117 -17.823 -20.786 -17.683 1.00 0.00 N ATOM 1796 CZ ARG A 117 -16.846 -21.673 -17.918 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -15.587 -21.251 -18.095 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -17.129 -22.981 -17.975 1.00 0.00 N ATOM 0 H ARG A 117 -14.376 -16.643 -16.017 1.00 0.00 H new ATOM 0 HA ARG A 117 -16.385 -16.343 -16.894 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -17.358 -18.039 -14.554 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -18.335 -17.605 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -15.728 -18.755 -16.722 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -16.671 -19.854 -15.735 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -18.574 -18.814 -17.519 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -17.140 -18.963 -18.514 1.00 0.00 H new ATOM 0 HE ARG A 117 -18.770 -21.142 -17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -15.372 -20.255 -18.051 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -14.843 -21.926 -18.274 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -18.088 -23.302 -17.840 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -16.386 -23.656 -18.154 1.00 0.00 H new ATOM 1812 N GLU A 118 -17.373 -14.316 -15.898 1.00 0.00 N ATOM 1813 CA GLU A 118 -18.002 -13.119 -15.365 1.00 0.00 C ATOM 1814 C GLU A 118 -19.174 -13.496 -14.456 1.00 0.00 C ATOM 1815 O GLU A 118 -19.615 -14.644 -14.450 1.00 0.00 O ATOM 1816 CB GLU A 118 -18.459 -12.191 -16.492 1.00 0.00 C ATOM 1817 CG GLU A 118 -17.807 -10.813 -16.365 1.00 0.00 C ATOM 1818 CD GLU A 118 -18.257 -9.887 -17.497 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -18.358 -10.391 -18.637 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -18.490 -8.696 -17.198 1.00 0.00 O ATOM 0 H GLU A 118 -17.150 -14.274 -16.892 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.265 -12.579 -14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -18.204 -12.631 -17.456 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.544 -12.088 -16.466 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -18.067 -10.371 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -16.722 -10.917 -16.385 1.00 0.00 H new ATOM 1827 N GLU A 119 -19.645 -12.507 -13.711 1.00 0.00 N ATOM 1828 CA GLU A 119 -20.757 -12.720 -12.800 1.00 0.00 C ATOM 1829 C GLU A 119 -21.955 -11.866 -13.217 1.00 0.00 C ATOM 1830 O GLU A 119 -22.667 -11.332 -12.368 1.00 0.00 O ATOM 1831 CB GLU A 119 -20.348 -12.423 -11.356 1.00 0.00 C ATOM 1832 CG GLU A 119 -20.603 -13.632 -10.454 1.00 0.00 C ATOM 1833 CD GLU A 119 -19.396 -14.573 -10.444 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -19.081 -15.104 -11.530 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -18.816 -14.739 -9.349 1.00 0.00 O ATOM 0 H GLU A 119 -19.277 -11.556 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.048 -13.769 -12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.292 -12.155 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.907 -11.564 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -20.814 -13.295 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -21.485 -14.170 -10.801 1.00 0.00 H new ATOM 1842 N ILE A 120 -22.142 -11.763 -14.525 1.00 0.00 N ATOM 1843 CA ILE A 120 -23.242 -10.983 -15.065 1.00 0.00 C ATOM 1844 C ILE A 120 -24.501 -11.240 -14.234 1.00 0.00 C ATOM 1845 O ILE A 120 -24.981 -12.370 -14.163 1.00 0.00 O ATOM 1846 CB ILE A 120 -23.421 -11.270 -16.557 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -22.189 -10.831 -17.352 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -24.705 -10.629 -17.089 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -21.733 -11.933 -18.310 1.00 0.00 C ATOM 0 H ILE A 120 -21.550 -12.207 -15.227 1.00 0.00 H new ATOM 0 HA ILE A 120 -23.024 -9.917 -14.993 1.00 0.00 H new ATOM 0 HB ILE A 120 -23.521 -12.348 -16.688 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -22.419 -9.927 -17.915 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -21.379 -10.582 -16.666 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -24.808 -10.848 -18.152 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -25.563 -11.032 -16.551 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -24.660 -9.550 -16.944 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -20.856 -11.595 -18.862 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -21.481 -12.828 -17.741 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -22.537 -12.162 -19.010 1.00 0.00 H new ATOM 1861 N ALA A 121 -24.999 -10.173 -13.626 1.00 0.00 N ATOM 1862 CA ALA A 121 -26.192 -10.270 -12.803 1.00 0.00 C ATOM 1863 C ALA A 121 -26.698 -8.863 -12.479 1.00 0.00 C ATOM 1864 O ALA A 121 -26.396 -8.319 -11.418 1.00 0.00 O ATOM 1865 CB ALA A 121 -25.879 -11.081 -11.544 1.00 0.00 C ATOM 0 H ALA A 121 -24.598 -9.237 -13.687 1.00 0.00 H new ATOM 0 HA ALA A 121 -26.986 -10.791 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -26.774 -11.154 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -25.551 -12.081 -11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -25.088 -10.587 -10.980 1.00 0.00 H new ATOM 1871 N ARG A 122 -27.460 -8.313 -13.414 1.00 0.00 N ATOM 1872 CA ARG A 122 -28.011 -6.980 -13.242 1.00 0.00 C ATOM 1873 C ARG A 122 -29.213 -6.779 -14.166 1.00 0.00 C ATOM 1874 O ARG A 122 -29.218 -7.261 -15.298 1.00 0.00 O ATOM 1875 CB ARG A 122 -26.962 -5.907 -13.540 1.00 0.00 C ATOM 1876 CG ARG A 122 -26.557 -5.932 -15.016 1.00 0.00 C ATOM 1877 CD ARG A 122 -27.042 -4.673 -15.738 1.00 0.00 C ATOM 1878 NE ARG A 122 -27.173 -4.941 -17.188 1.00 0.00 N ATOM 1879 CZ ARG A 122 -26.150 -4.913 -18.052 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -24.914 -4.630 -17.619 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -26.363 -5.169 -19.351 1.00 0.00 N ATOM 0 H ARG A 122 -27.708 -8.767 -14.293 1.00 0.00 H new ATOM 0 HA ARG A 122 -28.327 -6.884 -12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -27.359 -4.924 -13.284 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.084 -6.068 -12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.473 -6.008 -15.098 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.976 -6.816 -15.497 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -28.002 -4.357 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.340 -3.856 -15.573 1.00 0.00 H new ATOM 0 HE ARG A 122 -28.100 -5.161 -17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -24.752 -4.436 -16.631 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -24.135 -4.609 -18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -27.304 -5.385 -19.681 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -25.584 -5.148 -20.009 1.00 0.00 H new ATOM 1895 N GLN A 123 -30.204 -6.066 -13.650 1.00 0.00 N ATOM 1896 CA GLN A 123 -31.409 -5.795 -14.415 1.00 0.00 C ATOM 1897 C GLN A 123 -31.551 -4.292 -14.667 1.00 0.00 C ATOM 1898 O GLN A 123 -31.135 -3.479 -13.844 1.00 0.00 O ATOM 1899 CB GLN A 123 -32.645 -6.351 -13.706 1.00 0.00 C ATOM 1900 CG GLN A 123 -32.818 -7.844 -13.995 1.00 0.00 C ATOM 1901 CD GLN A 123 -34.238 -8.306 -13.662 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -34.529 -8.762 -12.569 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -35.102 -8.163 -14.663 1.00 0.00 N ATOM 0 H GLN A 123 -30.197 -5.668 -12.711 1.00 0.00 H new ATOM 0 HA GLN A 123 -31.326 -6.299 -15.378 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -32.554 -6.193 -12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -33.532 -5.808 -14.034 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -32.604 -8.042 -15.045 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -32.099 -8.417 -13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -34.791 -7.774 -15.553 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -36.075 -8.443 -14.541 1.00 0.00 H new ATOM 1912 N ALA A 124 -32.140 -3.970 -15.810 1.00 0.00 N ATOM 1913 CA ALA A 124 -32.342 -2.580 -16.181 1.00 0.00 C ATOM 1914 C ALA A 124 -33.685 -2.098 -15.626 1.00 0.00 C ATOM 1915 O ALA A 124 -34.701 -2.775 -15.777 1.00 0.00 O ATOM 1916 CB ALA A 124 -32.256 -2.439 -17.702 1.00 0.00 C ATOM 0 H ALA A 124 -32.483 -4.648 -16.491 1.00 0.00 H new ATOM 0 HA ALA A 124 -31.562 -1.951 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -32.408 -1.396 -17.980 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -31.274 -2.766 -18.043 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -33.025 -3.054 -18.169 1.00 0.00 H new ATOM 1922 N SER A 125 -33.645 -0.933 -14.996 1.00 0.00 N ATOM 1923 CA SER A 125 -34.845 -0.354 -14.418 1.00 0.00 C ATOM 1924 C SER A 125 -34.713 1.169 -14.354 1.00 0.00 C ATOM 1925 O SER A 125 -33.812 1.690 -13.699 1.00 0.00 O ATOM 1926 CB SER A 125 -35.115 -0.922 -13.023 1.00 0.00 C ATOM 1927 OG SER A 125 -35.066 -2.346 -13.008 1.00 0.00 O ATOM 0 H SER A 125 -32.800 -0.375 -14.873 1.00 0.00 H new ATOM 0 HA SER A 125 -35.690 -0.613 -15.056 1.00 0.00 H new ATOM 0 HB2 SER A 125 -34.380 -0.527 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 125 -36.094 -0.589 -12.679 1.00 0.00 H new ATOM 0 HG SER A 125 -35.242 -2.670 -12.100 1.00 0.00 H new ATOM 1933 N GLY A 126 -35.624 1.840 -15.043 1.00 0.00 N ATOM 1934 CA GLY A 126 -35.620 3.293 -15.073 1.00 0.00 C ATOM 1935 C GLY A 126 -36.457 3.819 -16.241 1.00 0.00 C ATOM 1936 O GLY A 126 -36.409 3.271 -17.341 1.00 0.00 O ATOM 0 H GLY A 126 -36.370 1.404 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -36.015 3.681 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -34.596 3.656 -15.162 1.00 0.00 H new ATOM 1940 N PRO A 127 -37.224 4.905 -15.955 1.00 0.00 N ATOM 1941 CA PRO A 127 -38.069 5.512 -16.968 1.00 0.00 C ATOM 1942 C PRO A 127 -37.236 6.320 -17.965 1.00 0.00 C ATOM 1943 O PRO A 127 -36.208 6.890 -17.603 1.00 0.00 O ATOM 1944 CB PRO A 127 -39.061 6.366 -16.194 1.00 0.00 C ATOM 1945 CG PRO A 127 -38.447 6.573 -14.819 1.00 0.00 C ATOM 1946 CD PRO A 127 -37.305 5.582 -14.663 1.00 0.00 C ATOM 0 HA PRO A 127 -38.590 4.774 -17.578 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -39.229 7.320 -16.694 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -40.029 5.870 -16.119 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -38.082 7.595 -14.714 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -39.194 6.420 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -36.371 6.089 -14.422 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -37.501 4.875 -13.857 1.00 0.00 H new ATOM 1954 N SER A 128 -37.711 6.344 -19.202 1.00 0.00 N ATOM 1955 CA SER A 128 -37.023 7.073 -20.254 1.00 0.00 C ATOM 1956 C SER A 128 -38.007 7.987 -20.987 1.00 0.00 C ATOM 1957 O SER A 128 -39.159 7.615 -21.207 1.00 0.00 O ATOM 1958 CB SER A 128 -36.353 6.114 -21.241 1.00 0.00 C ATOM 1959 OG SER A 128 -35.446 5.228 -20.591 1.00 0.00 O ATOM 0 H SER A 128 -38.564 5.870 -19.499 1.00 0.00 H new ATOM 0 HA SER A 128 -36.244 7.682 -19.795 1.00 0.00 H new ATOM 0 HB2 SER A 128 -37.117 5.535 -21.759 1.00 0.00 H new ATOM 0 HB3 SER A 128 -35.819 6.688 -21.999 1.00 0.00 H new ATOM 0 HG SER A 128 -35.040 4.631 -21.254 1.00 0.00 H new ATOM 1965 N SER A 129 -37.517 9.164 -21.345 1.00 0.00 N ATOM 1966 CA SER A 129 -38.339 10.134 -22.049 1.00 0.00 C ATOM 1967 C SER A 129 -37.608 10.630 -23.299 1.00 0.00 C ATOM 1968 O SER A 129 -36.985 11.690 -23.277 1.00 0.00 O ATOM 1969 CB SER A 129 -38.699 11.313 -21.142 1.00 0.00 C ATOM 1970 OG SER A 129 -39.941 11.908 -21.508 1.00 0.00 O ATOM 0 H SER A 129 -36.561 9.468 -21.161 1.00 0.00 H new ATOM 0 HA SER A 129 -39.266 9.644 -22.348 1.00 0.00 H new ATOM 0 HB2 SER A 129 -38.751 10.972 -20.108 1.00 0.00 H new ATOM 0 HB3 SER A 129 -37.909 12.063 -21.191 1.00 0.00 H new ATOM 0 HG SER A 129 -40.136 12.655 -20.905 1.00 0.00 H new ATOM 1976 N GLY A 130 -37.710 9.840 -24.357 1.00 0.00 N ATOM 1977 CA GLY A 130 -37.067 10.186 -25.614 1.00 0.00 C ATOM 1978 C GLY A 130 -36.239 9.015 -26.146 1.00 0.00 C ATOM 1979 O GLY A 130 -36.234 8.750 -27.347 1.00 0.00 O ATOM 0 H GLY A 130 -38.228 8.961 -24.370 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -37.822 10.465 -26.348 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -36.425 11.055 -25.471 1.00 0.00 H new TER 1983 GLY A 130