USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 72 HIS : no HD1:sc= -1.18 K(o=-2.4,f=0.12) USER MOD Set 1.2: A 101 33B O62 : rot 124:sc= -1.25 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -178:sc= 1.04 (180deg=-0.0552) USER MOD Set 2.2: A 82 THR OG1 : rot -102:sc= 1.96 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.201 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00123) USER MOD Single : A 15 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.411 K(o=-0.41,f=-1.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.656 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.967 (180deg=0.872) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 84:sc= 0.191 USER MOD Single : A 54 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-5.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.375 K(o=-0.38,f=-0.96) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.445 K(o=0.45,f=-0.082) USER MOD Single : A 78 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 81 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.7!) USER MOD Single : A 84 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.5!) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.13) USER MOD Single : A 94 GLN : amide:sc= -0.997! K(o=-1!,f=-0.47) USER MOD Single : A 95 SER OG : rot 92:sc= 0.05 USER MOD Single : A 97 THR OG1 : rot 66:sc= 0.413 USER MOD Single : A 101 33B O72 : rot 180:sc=-0.00518 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.439 -1.355 -14.380 1.00 4.44 N ATOM 2 CA GLY A 1 -11.368 -1.188 -13.406 1.00 20.52 C ATOM 3 C GLY A 1 -10.415 -2.316 -13.566 1.00 13.52 C ATOM 4 O GLY A 1 -10.513 -3.116 -14.505 1.00 14.23 O ATOM 0 H1 GLY A 1 -12.442 -0.547 -15.034 1.00 4.44 H new ATOM 0 H2 GLY A 1 -12.287 -2.233 -14.916 1.00 4.44 H new ATOM 0 H3 GLY A 1 -13.353 -1.404 -13.886 1.00 4.44 H new ATOM 0 HA2 GLY A 1 -10.860 -0.236 -13.560 1.00 20.52 H new ATOM 0 HA3 GLY A 1 -11.773 -1.173 -12.394 1.00 20.52 H new ATOM 10 N PRO A 2 -9.461 -2.387 -12.644 1.00 61.43 N ATOM 11 CA PRO A 2 -8.457 -3.441 -12.625 1.00 63.13 C ATOM 12 C PRO A 2 -9.141 -4.753 -12.312 1.00 25.32 C ATOM 13 O PRO A 2 -10.106 -4.761 -11.546 1.00 33.44 O ATOM 14 CB PRO A 2 -7.488 -3.019 -11.503 1.00 43.52 C ATOM 15 CG PRO A 2 -8.336 -2.111 -10.584 1.00 44.41 C ATOM 16 CD PRO A 2 -9.313 -1.432 -11.541 1.00 23.00 C ATOM 0 HA PRO A 2 -7.931 -3.575 -13.570 1.00 63.13 H new ATOM 0 HB2 PRO A 2 -7.105 -3.885 -10.962 1.00 43.52 H new ATOM 0 HB3 PRO A 2 -6.626 -2.485 -11.903 1.00 43.52 H new ATOM 0 HG2 PRO A 2 -8.859 -2.690 -9.823 1.00 44.41 H new ATOM 0 HG3 PRO A 2 -7.717 -1.382 -10.061 1.00 44.41 H new ATOM 0 HD2 PRO A 2 -10.269 -1.231 -11.057 1.00 23.00 H new ATOM 0 HD3 PRO A 2 -8.926 -0.475 -11.892 1.00 23.00 H new ATOM 24 N LYS A 3 -8.670 -5.842 -12.926 1.00 1.34 N ATOM 25 CA LYS A 3 -9.267 -7.151 -12.740 1.00 33.32 C ATOM 26 C LYS A 3 -8.605 -7.747 -11.503 1.00 33.22 C ATOM 27 O LYS A 3 -7.621 -7.213 -10.987 1.00 4.42 O ATOM 28 CB LYS A 3 -9.004 -8.103 -13.948 1.00 55.21 C ATOM 29 CG LYS A 3 -9.821 -7.794 -15.223 1.00 65.33 C ATOM 30 CD LYS A 3 -9.589 -6.404 -15.833 1.00 20.34 C ATOM 31 CE LYS A 3 -10.136 -6.269 -17.261 1.00 42.22 C ATOM 32 NZ LYS A 3 -11.595 -6.530 -17.327 1.00 14.12 N ATOM 0 H LYS A 3 -7.870 -5.834 -13.559 1.00 1.34 H new ATOM 0 HA LYS A 3 -10.348 -7.046 -12.643 1.00 33.32 H new ATOM 0 HB2 LYS A 3 -7.944 -8.062 -14.197 1.00 55.21 H new ATOM 0 HB3 LYS A 3 -9.219 -9.125 -13.637 1.00 55.21 H new ATOM 0 HG2 LYS A 3 -9.586 -8.546 -15.976 1.00 65.33 H new ATOM 0 HG3 LYS A 3 -10.881 -7.897 -14.989 1.00 65.33 H new ATOM 0 HD2 LYS A 3 -10.060 -5.653 -15.198 1.00 20.34 H new ATOM 0 HD3 LYS A 3 -8.520 -6.191 -15.839 1.00 20.34 H new ATOM 0 HE2 LYS A 3 -9.930 -5.266 -17.634 1.00 42.22 H new ATOM 0 HE3 LYS A 3 -9.614 -6.966 -17.916 1.00 42.22 H new ATOM 0 HZ1 LYS A 3 -11.925 -6.411 -18.306 1.00 14.12 H new ATOM 0 HZ2 LYS A 3 -11.788 -7.502 -17.012 1.00 14.12 H new ATOM 0 HZ3 LYS A 3 -12.096 -5.860 -16.709 1.00 14.12 H new ATOM 46 N PRO A 4 -9.165 -8.854 -10.992 1.00 70.13 N ATOM 47 CA PRO A 4 -8.610 -9.565 -9.854 1.00 54.14 C ATOM 48 C PRO A 4 -7.219 -10.067 -10.194 1.00 23.24 C ATOM 49 O PRO A 4 -7.083 -10.909 -11.090 1.00 34.41 O ATOM 50 CB PRO A 4 -9.603 -10.723 -9.592 1.00 72.30 C ATOM 51 CG PRO A 4 -10.917 -10.240 -10.239 1.00 21.21 C ATOM 52 CD PRO A 4 -10.419 -9.449 -11.451 1.00 0.31 C ATOM 0 HA PRO A 4 -8.497 -8.942 -8.967 1.00 54.14 H new ATOM 0 HB2 PRO A 4 -9.257 -11.655 -10.039 1.00 72.30 H new ATOM 0 HB3 PRO A 4 -9.728 -10.908 -8.525 1.00 72.30 H new ATOM 0 HG2 PRO A 4 -11.555 -11.074 -10.533 1.00 21.21 H new ATOM 0 HG3 PRO A 4 -11.499 -9.617 -9.559 1.00 21.21 H new ATOM 0 HD2 PRO A 4 -10.262 -10.097 -12.313 1.00 0.31 H new ATOM 0 HD3 PRO A 4 -11.137 -8.686 -11.752 1.00 0.31 H new ATOM 60 N GLY A 5 -6.186 -9.574 -9.490 1.00 54.11 N ATOM 61 CA GLY A 5 -4.834 -10.050 -9.715 1.00 30.35 C ATOM 62 C GLY A 5 -4.187 -9.174 -10.744 1.00 15.44 C ATOM 63 O GLY A 5 -3.102 -9.482 -11.239 1.00 50.41 O ATOM 0 H GLY A 5 -6.271 -8.855 -8.771 1.00 54.11 H new ATOM 0 HA2 GLY A 5 -4.265 -10.027 -8.786 1.00 30.35 H new ATOM 0 HA3 GLY A 5 -4.849 -11.086 -10.054 1.00 30.35 H new ATOM 67 N ASP A 6 -4.859 -8.063 -11.107 1.00 0.04 N ATOM 68 CA ASP A 6 -4.302 -7.128 -12.062 1.00 2.52 C ATOM 69 C ASP A 6 -3.516 -6.132 -11.265 1.00 62.34 C ATOM 70 O ASP A 6 -3.891 -5.787 -10.137 1.00 1.34 O ATOM 71 CB ASP A 6 -5.381 -6.370 -12.883 1.00 10.01 C ATOM 72 CG ASP A 6 -4.770 -5.668 -14.087 1.00 2.43 C ATOM 73 OD1 ASP A 6 -3.554 -5.786 -14.324 1.00 3.42 O ATOM 74 OD2 ASP A 6 -5.528 -5.018 -14.833 1.00 33.41 O ATOM 0 H ASP A 6 -5.779 -7.807 -10.748 1.00 0.04 H new ATOM 0 HA ASP A 6 -3.699 -7.679 -12.783 1.00 2.52 H new ATOM 0 HB2 ASP A 6 -6.145 -7.071 -13.218 1.00 10.01 H new ATOM 0 HB3 ASP A 6 -5.877 -5.638 -12.246 1.00 10.01 H new ATOM 79 N ILE A 7 -2.397 -5.698 -11.828 1.00 43.50 N ATOM 80 CA ILE A 7 -1.500 -4.798 -11.182 1.00 3.41 C ATOM 81 C ILE A 7 -1.873 -3.430 -11.682 1.00 64.10 C ATOM 82 O ILE A 7 -1.994 -3.222 -12.895 1.00 13.13 O ATOM 83 CB ILE A 7 -0.046 -5.076 -11.584 1.00 41.31 C ATOM 84 CG1 ILE A 7 0.338 -6.572 -11.431 1.00 73.10 C ATOM 85 CG2 ILE A 7 0.895 -4.073 -10.890 1.00 40.05 C ATOM 86 CD1 ILE A 7 0.409 -7.022 -10.015 1.00 12.43 C ATOM 0 H ILE A 7 -2.097 -5.976 -12.762 1.00 43.50 H new ATOM 0 HA ILE A 7 -1.573 -4.899 -10.099 1.00 3.41 H new ATOM 0 HB ILE A 7 0.072 -4.903 -12.654 1.00 41.31 H new ATOM 0 HG12 ILE A 7 -0.392 -7.183 -11.962 1.00 73.10 H new ATOM 0 HG13 ILE A 7 1.304 -6.742 -11.907 1.00 73.10 H new ATOM 0 HG21 ILE A 7 1.925 -4.279 -11.182 1.00 40.05 H new ATOM 0 HG22 ILE A 7 0.629 -3.059 -11.188 1.00 40.05 H new ATOM 0 HG23 ILE A 7 0.798 -4.171 -9.809 1.00 40.05 H new ATOM 0 HD11 ILE A 7 0.682 -8.077 -9.982 1.00 12.43 H new ATOM 0 HD12 ILE A 7 1.159 -6.436 -9.484 1.00 12.43 H new ATOM 0 HD13 ILE A 7 -0.562 -6.884 -9.540 1.00 12.43 H new ATOM 98 N PHE A 8 -2.074 -2.467 -10.777 1.00 43.34 N ATOM 99 CA PHE A 8 -2.397 -1.126 -11.209 1.00 24.33 C ATOM 100 C PHE A 8 -1.605 -0.177 -10.379 1.00 20.32 C ATOM 101 O PHE A 8 -1.202 -0.491 -9.260 1.00 42.03 O ATOM 102 CB PHE A 8 -3.923 -0.726 -11.191 1.00 61.05 C ATOM 103 CG PHE A 8 -4.564 -0.968 -9.833 1.00 3.12 C ATOM 104 CD1 PHE A 8 -4.716 -2.283 -9.311 1.00 33.01 C ATOM 105 CD2 PHE A 8 -5.089 0.120 -9.084 1.00 23.34 C ATOM 106 CE1 PHE A 8 -5.356 -2.492 -8.081 1.00 43.43 C ATOM 107 CE2 PHE A 8 -5.750 -0.105 -7.860 1.00 73.35 C ATOM 108 CZ PHE A 8 -5.880 -1.407 -7.359 1.00 52.53 C ATOM 0 H PHE A 8 -2.018 -2.596 -9.767 1.00 43.34 H new ATOM 0 HA PHE A 8 -2.139 -1.081 -12.267 1.00 24.33 H new ATOM 0 HB2 PHE A 8 -4.024 0.326 -11.456 1.00 61.05 H new ATOM 0 HB3 PHE A 8 -4.456 -1.299 -11.950 1.00 61.05 H new ATOM 0 HD1 PHE A 8 -4.335 -3.127 -9.867 1.00 33.01 H new ATOM 0 HD2 PHE A 8 -4.980 1.128 -9.456 1.00 23.34 H new ATOM 0 HE1 PHE A 8 -5.447 -3.493 -7.686 1.00 43.43 H new ATOM 0 HE2 PHE A 8 -6.157 0.728 -7.307 1.00 73.35 H new ATOM 0 HZ PHE A 8 -6.383 -1.576 -6.418 1.00 52.53 H new ATOM 118 N GLU A 9 -1.315 1.000 -10.961 1.00 72.54 N ATOM 119 CA GLU A 9 -0.546 2.004 -10.285 1.00 51.30 C ATOM 120 C GLU A 9 -1.500 3.062 -9.907 1.00 14.53 C ATOM 121 O GLU A 9 -2.445 3.339 -10.654 1.00 2.21 O ATOM 122 CB GLU A 9 0.505 2.682 -11.192 1.00 12.30 C ATOM 123 CG GLU A 9 1.416 1.701 -11.928 1.00 34.31 C ATOM 124 CD GLU A 9 2.468 2.512 -12.622 1.00 55.14 C ATOM 125 OE1 GLU A 9 3.502 2.811 -11.987 1.00 2.33 O ATOM 126 OE2 GLU A 9 2.251 2.911 -13.782 1.00 24.41 O ATOM 0 H GLU A 9 -1.613 1.259 -11.902 1.00 72.54 H new ATOM 0 HA GLU A 9 -0.024 1.531 -9.453 1.00 51.30 H new ATOM 0 HB2 GLU A 9 -0.009 3.304 -11.925 1.00 12.30 H new ATOM 0 HB3 GLU A 9 1.119 3.347 -10.585 1.00 12.30 H new ATOM 0 HG2 GLU A 9 1.870 0.998 -11.229 1.00 34.31 H new ATOM 0 HG3 GLU A 9 0.847 1.112 -12.647 1.00 34.31 H new ATOM 133 N VAL A 10 -1.266 3.710 -8.766 1.00 33.12 N ATOM 134 CA VAL A 10 -2.070 4.820 -8.393 1.00 23.34 C ATOM 135 C VAL A 10 -1.146 5.799 -7.755 1.00 50.32 C ATOM 136 O VAL A 10 -0.083 5.428 -7.214 1.00 42.31 O ATOM 137 CB VAL A 10 -3.191 4.489 -7.418 1.00 23.33 C ATOM 138 CG1 VAL A 10 -4.161 3.503 -8.114 1.00 35.41 C ATOM 139 CG2 VAL A 10 -2.584 3.932 -6.113 1.00 22.24 C ATOM 0 H VAL A 10 -0.527 3.471 -8.105 1.00 33.12 H new ATOM 0 HA VAL A 10 -2.568 5.198 -9.286 1.00 23.34 H new ATOM 0 HB VAL A 10 -3.762 5.375 -7.140 1.00 23.33 H new ATOM 0 HG11 VAL A 10 -4.974 3.251 -7.433 1.00 35.41 H new ATOM 0 HG12 VAL A 10 -4.570 3.967 -9.011 1.00 35.41 H new ATOM 0 HG13 VAL A 10 -3.623 2.596 -8.388 1.00 35.41 H new ATOM 0 HG21 VAL A 10 -3.384 3.694 -5.412 1.00 22.24 H new ATOM 0 HG22 VAL A 10 -2.014 3.029 -6.333 1.00 22.24 H new ATOM 0 HG23 VAL A 10 -1.925 4.679 -5.671 1.00 22.24 H new ATOM 149 N GLU A 11 -1.509 7.064 -7.838 1.00 43.21 N ATOM 150 CA GLU A 11 -0.808 8.082 -7.137 1.00 42.14 C ATOM 151 C GLU A 11 -1.755 8.620 -6.119 1.00 55.24 C ATOM 152 O GLU A 11 -2.918 8.875 -6.425 1.00 73.01 O ATOM 153 CB GLU A 11 -0.339 9.213 -8.062 1.00 20.33 C ATOM 154 CG GLU A 11 -1.434 9.796 -8.980 1.00 33.15 C ATOM 155 CD GLU A 11 -0.775 10.736 -9.948 1.00 50.42 C ATOM 156 OE1 GLU A 11 0.463 10.826 -9.944 1.00 73.32 O ATOM 157 OE2 GLU A 11 -1.481 11.378 -10.738 1.00 23.32 O ATOM 0 H GLU A 11 -2.296 7.398 -8.394 1.00 43.21 H new ATOM 0 HA GLU A 11 0.092 7.665 -6.685 1.00 42.14 H new ATOM 0 HB2 GLU A 11 0.069 10.018 -7.450 1.00 20.33 H new ATOM 0 HB3 GLU A 11 0.476 8.841 -8.683 1.00 20.33 H new ATOM 0 HG2 GLU A 11 -1.948 8.997 -9.514 1.00 33.15 H new ATOM 0 HG3 GLU A 11 -2.186 10.321 -8.391 1.00 33.15 H new ATOM 164 N LEU A 12 -1.292 8.750 -4.869 1.00 35.25 N ATOM 165 CA LEU A 12 -2.124 9.288 -3.824 1.00 4.21 C ATOM 166 C LEU A 12 -1.341 10.313 -3.147 1.00 10.23 C ATOM 167 O LEU A 12 -0.163 10.131 -2.888 1.00 40.10 O ATOM 168 CB LEU A 12 -2.513 8.270 -2.744 1.00 22.13 C ATOM 169 CG LEU A 12 -3.559 7.287 -3.208 1.00 21.33 C ATOM 170 CD1 LEU A 12 -2.982 5.885 -3.369 1.00 43.23 C ATOM 171 CD2 LEU A 12 -4.792 7.353 -2.319 1.00 0.34 C ATOM 0 H LEU A 12 -0.351 8.488 -4.574 1.00 35.25 H new ATOM 0 HA LEU A 12 -3.041 9.643 -4.295 1.00 4.21 H new ATOM 0 HB2 LEU A 12 -1.623 7.724 -2.430 1.00 22.13 H new ATOM 0 HB3 LEU A 12 -2.886 8.802 -1.869 1.00 22.13 H new ATOM 0 HG LEU A 12 -3.891 7.572 -4.206 1.00 21.33 H new ATOM 0 HD11 LEU A 12 -3.765 5.205 -3.704 1.00 43.23 H new ATOM 0 HD12 LEU A 12 -2.179 5.904 -4.106 1.00 43.23 H new ATOM 0 HD13 LEU A 12 -2.589 5.541 -2.412 1.00 43.23 H new ATOM 0 HD21 LEU A 12 -5.534 6.636 -2.672 1.00 0.34 H new ATOM 0 HD22 LEU A 12 -4.514 7.113 -1.293 1.00 0.34 H new ATOM 0 HD23 LEU A 12 -5.213 8.358 -2.355 1.00 0.34 H new ATOM 183 N ALA A 13 -1.991 11.417 -2.815 1.00 51.41 N ATOM 184 CA ALA A 13 -1.348 12.452 -2.065 1.00 71.22 C ATOM 185 C ALA A 13 -1.298 11.966 -0.657 1.00 73.01 C ATOM 186 O ALA A 13 -2.284 11.474 -0.134 1.00 20.34 O ATOM 187 CB ALA A 13 -2.092 13.794 -2.087 1.00 71.21 C ATOM 0 H ALA A 13 -2.963 11.607 -3.059 1.00 51.41 H new ATOM 0 HA ALA A 13 -0.370 12.642 -2.506 1.00 71.22 H new ATOM 0 HB1 ALA A 13 -1.541 14.525 -1.496 1.00 71.21 H new ATOM 0 HB2 ALA A 13 -2.176 14.147 -3.115 1.00 71.21 H new ATOM 0 HB3 ALA A 13 -3.089 13.664 -1.666 1.00 71.21 H new ATOM 193 N LYS A 14 -0.115 12.056 -0.022 1.00 45.03 N ATOM 194 CA LYS A 14 0.072 11.570 1.334 1.00 50.03 C ATOM 195 C LYS A 14 -0.738 12.433 2.272 1.00 52.42 C ATOM 196 O LYS A 14 -1.155 11.976 3.327 1.00 71.01 O ATOM 197 CB LYS A 14 1.571 11.614 1.728 1.00 32.45 C ATOM 198 CG LYS A 14 1.914 11.064 3.107 1.00 2.42 C ATOM 199 CD LYS A 14 3.373 10.579 3.217 1.00 35.22 C ATOM 200 CE LYS A 14 4.420 11.647 2.853 1.00 14.10 C ATOM 201 NZ LYS A 14 5.782 11.098 2.910 1.00 23.10 N ATOM 0 H LYS A 14 0.722 12.465 -0.439 1.00 45.03 H new ATOM 0 HA LYS A 14 -0.262 10.535 1.399 1.00 50.03 H new ATOM 0 HB2 LYS A 14 2.139 11.055 0.984 1.00 32.45 H new ATOM 0 HB3 LYS A 14 1.910 12.649 1.676 1.00 32.45 H new ATOM 0 HG2 LYS A 14 1.737 11.837 3.855 1.00 2.42 H new ATOM 0 HG3 LYS A 14 1.244 10.237 3.339 1.00 2.42 H new ATOM 0 HD2 LYS A 14 3.556 10.239 4.236 1.00 35.22 H new ATOM 0 HD3 LYS A 14 3.508 9.716 2.565 1.00 35.22 H new ATOM 0 HE2 LYS A 14 4.221 12.029 1.852 1.00 14.10 H new ATOM 0 HE3 LYS A 14 4.336 12.490 3.538 1.00 14.10 H new ATOM 0 HZ1 LYS A 14 6.468 11.849 2.693 1.00 23.10 H new ATOM 0 HZ2 LYS A 14 5.966 10.725 3.863 1.00 23.10 H new ATOM 0 HZ3 LYS A 14 5.877 10.331 2.214 1.00 23.10 H new ATOM 215 N ASN A 15 -1.022 13.678 1.834 1.00 14.31 N ATOM 216 CA ASN A 15 -1.850 14.634 2.562 1.00 33.34 C ATOM 217 C ASN A 15 -1.127 15.130 3.783 1.00 55.31 C ATOM 218 O ASN A 15 -1.021 14.437 4.794 1.00 12.50 O ATOM 219 CB ASN A 15 -3.286 14.146 2.934 1.00 3.54 C ATOM 220 CG ASN A 15 -4.044 15.275 3.639 1.00 5.45 C ATOM 221 OD1 ASN A 15 -4.564 15.093 4.739 1.00 4.13 O ATOM 222 ND2 ASN A 15 -4.126 16.454 3.008 1.00 55.43 N ATOM 0 H ASN A 15 -0.671 14.043 0.948 1.00 14.31 H new ATOM 0 HA ASN A 15 -2.015 15.449 1.857 1.00 33.34 H new ATOM 0 HB2 ASN A 15 -3.822 13.840 2.035 1.00 3.54 H new ATOM 0 HB3 ASN A 15 -3.228 13.272 3.583 1.00 3.54 H new ATOM 0 HD21 ASN A 15 -4.629 17.229 3.439 1.00 55.43 H new ATOM 0 HD22 ASN A 15 -3.685 16.576 2.096 1.00 55.43 H new ATOM 229 N ASP A 16 -0.627 16.393 3.694 1.00 32.40 N ATOM 230 CA ASP A 16 0.040 17.085 4.808 1.00 21.14 C ATOM 231 C ASP A 16 1.187 16.267 5.274 1.00 65.10 C ATOM 232 O ASP A 16 1.435 16.138 6.467 1.00 72.11 O ATOM 233 CB ASP A 16 -0.885 17.455 5.999 1.00 43.05 C ATOM 234 CG ASP A 16 -1.843 18.516 5.516 1.00 5.43 C ATOM 235 OD1 ASP A 16 -1.361 19.588 5.075 1.00 21.53 O ATOM 236 OD2 ASP A 16 -3.078 18.305 5.565 1.00 4.41 O ATOM 0 H ASP A 16 -0.680 16.952 2.842 1.00 32.40 H new ATOM 0 HA ASP A 16 0.378 18.043 4.412 1.00 21.14 H new ATOM 0 HB2 ASP A 16 -1.429 16.578 6.349 1.00 43.05 H new ATOM 0 HB3 ASP A 16 -0.298 17.823 6.841 1.00 43.05 H new ATOM 241 N ASN A 17 1.937 15.740 4.274 1.00 43.43 N ATOM 242 CA ASN A 17 3.153 14.902 4.424 1.00 71.21 C ATOM 243 C ASN A 17 3.094 13.816 5.510 1.00 73.23 C ATOM 244 O ASN A 17 4.106 13.194 5.788 1.00 1.13 O ATOM 245 CB ASN A 17 4.451 15.712 4.579 1.00 61.40 C ATOM 246 CG ASN A 17 4.676 16.487 3.288 1.00 21.25 C ATOM 247 OD1 ASN A 17 4.850 15.890 2.223 1.00 20.03 O ATOM 248 ND2 ASN A 17 4.666 17.830 3.360 1.00 44.10 N ATOM 0 H ASN A 17 1.699 15.895 3.294 1.00 43.43 H new ATOM 0 HA ASN A 17 3.171 14.381 3.467 1.00 71.21 H new ATOM 0 HB2 ASN A 17 4.376 16.395 5.426 1.00 61.40 H new ATOM 0 HB3 ASN A 17 5.293 15.049 4.778 1.00 61.40 H new ATOM 0 HD21 ASN A 17 4.805 18.387 2.517 1.00 44.10 H new ATOM 0 HD22 ASN A 17 4.519 18.292 4.258 1.00 44.10 H new ATOM 255 N SER A 18 1.944 13.551 6.105 1.00 12.12 N ATOM 256 CA SER A 18 1.840 12.521 7.071 1.00 1.54 C ATOM 257 C SER A 18 0.734 11.652 6.636 1.00 3.03 C ATOM 258 O SER A 18 -0.352 12.133 6.379 1.00 13.34 O ATOM 259 CB SER A 18 1.459 13.053 8.453 1.00 52.01 C ATOM 260 OG SER A 18 2.532 13.802 9.030 1.00 41.33 O ATOM 0 H SER A 18 1.074 14.051 5.920 1.00 12.12 H new ATOM 0 HA SER A 18 2.803 12.017 7.148 1.00 1.54 H new ATOM 0 HB2 SER A 18 0.574 13.684 8.372 1.00 52.01 H new ATOM 0 HB3 SER A 18 1.199 12.221 9.107 1.00 52.01 H new ATOM 0 HG SER A 18 2.263 14.133 9.912 1.00 41.33 H new ATOM 266 N LEU A 19 0.973 10.335 6.583 1.00 14.01 N ATOM 267 CA LEU A 19 -0.103 9.409 6.401 1.00 55.14 C ATOM 268 C LEU A 19 -0.062 8.546 7.590 1.00 25.20 C ATOM 269 O LEU A 19 0.898 8.586 8.357 1.00 11.52 O ATOM 270 CB LEU A 19 -0.065 8.545 5.087 1.00 14.24 C ATOM 271 CG LEU A 19 1.255 7.768 4.785 1.00 22.22 C ATOM 272 CD1 LEU A 19 1.529 6.564 5.719 1.00 21.05 C ATOM 273 CD2 LEU A 19 1.342 7.351 3.301 1.00 52.12 C ATOM 0 H LEU A 19 1.897 9.911 6.664 1.00 14.01 H new ATOM 0 HA LEU A 19 -1.029 9.973 6.285 1.00 55.14 H new ATOM 0 HB2 LEU A 19 -0.880 7.822 5.134 1.00 14.24 H new ATOM 0 HB3 LEU A 19 -0.271 9.203 4.243 1.00 14.24 H new ATOM 0 HG LEU A 19 2.050 8.482 4.999 1.00 22.22 H new ATOM 0 HD11 LEU A 19 2.466 6.087 5.433 1.00 21.05 H new ATOM 0 HD12 LEU A 19 1.599 6.912 6.750 1.00 21.05 H new ATOM 0 HD13 LEU A 19 0.715 5.844 5.633 1.00 21.05 H new ATOM 0 HD21 LEU A 19 2.274 6.813 3.128 1.00 52.12 H new ATOM 0 HD22 LEU A 19 0.499 6.706 3.054 1.00 52.12 H new ATOM 0 HD23 LEU A 19 1.315 8.240 2.671 1.00 52.12 H new ATOM 285 N GLY A 20 -1.101 7.775 7.792 1.00 11.11 N ATOM 286 CA GLY A 20 -1.173 6.924 8.935 1.00 64.42 C ATOM 287 C GLY A 20 -2.147 5.888 8.562 1.00 72.22 C ATOM 288 O GLY A 20 -3.264 5.848 9.074 1.00 30.12 O ATOM 0 H GLY A 20 -1.909 7.725 7.171 1.00 11.11 H new ATOM 0 HA2 GLY A 20 -0.201 6.489 9.168 1.00 64.42 H new ATOM 0 HA3 GLY A 20 -1.497 7.473 9.819 1.00 64.42 H new ATOM 292 N ILE A 21 -1.752 5.046 7.610 1.00 43.43 N ATOM 293 CA ILE A 21 -2.584 3.969 7.139 1.00 73.32 C ATOM 294 C ILE A 21 -2.020 2.750 7.849 1.00 35.33 C ATOM 295 O ILE A 21 -1.030 2.885 8.591 1.00 43.34 O ATOM 296 CB ILE A 21 -2.524 3.815 5.605 1.00 62.23 C ATOM 297 CG1 ILE A 21 -2.505 5.230 4.954 1.00 14.31 C ATOM 298 CG2 ILE A 21 -3.731 2.966 5.114 1.00 73.14 C ATOM 299 CD1 ILE A 21 -2.624 5.215 3.432 1.00 41.20 C ATOM 0 H ILE A 21 -0.843 5.101 7.150 1.00 43.43 H new ATOM 0 HA ILE A 21 -3.640 4.134 7.353 1.00 73.32 H new ATOM 0 HB ILE A 21 -1.615 3.291 5.310 1.00 62.23 H new ATOM 0 HG12 ILE A 21 -3.324 5.819 5.366 1.00 14.31 H new ATOM 0 HG13 ILE A 21 -1.579 5.734 5.231 1.00 14.31 H new ATOM 0 HG21 ILE A 21 -3.684 2.860 4.030 1.00 73.14 H new ATOM 0 HG22 ILE A 21 -3.695 1.980 5.577 1.00 73.14 H new ATOM 0 HG23 ILE A 21 -4.661 3.462 5.390 1.00 73.14 H new ATOM 0 HD11 ILE A 21 -2.603 6.238 3.055 1.00 41.20 H new ATOM 0 HD12 ILE A 21 -1.791 4.655 3.007 1.00 41.20 H new ATOM 0 HD13 ILE A 21 -3.563 4.742 3.145 1.00 41.20 H new ATOM 311 N CYS A 22 -2.616 1.554 7.679 1.00 41.34 N ATOM 312 CA CYS A 22 -2.085 0.400 8.395 1.00 1.33 C ATOM 313 C CYS A 22 -2.101 -0.727 7.440 1.00 43.45 C ATOM 314 O CYS A 22 -2.661 -0.634 6.351 1.00 55.51 O ATOM 315 CB CYS A 22 -2.999 -0.044 9.571 1.00 44.34 C ATOM 316 SG CYS A 22 -3.182 1.223 10.868 1.00 73.13 S ATOM 0 H CYS A 22 -3.423 1.374 7.082 1.00 41.34 H new ATOM 0 HA CYS A 22 -1.101 0.663 8.784 1.00 1.33 H new ATOM 0 HB2 CYS A 22 -3.984 -0.297 9.179 1.00 44.34 H new ATOM 0 HB3 CYS A 22 -2.590 -0.951 10.016 1.00 44.34 H new ATOM 321 N VAL A 23 -1.366 -1.795 7.804 1.00 13.14 N ATOM 322 CA VAL A 23 -1.084 -2.864 6.899 1.00 34.51 C ATOM 323 C VAL A 23 -0.894 -4.086 7.746 1.00 41.33 C ATOM 324 O VAL A 23 -0.957 -4.017 8.974 1.00 21.12 O ATOM 325 CB VAL A 23 0.189 -2.647 6.083 1.00 43.24 C ATOM 326 CG1 VAL A 23 -0.084 -1.562 5.009 1.00 0.33 C ATOM 327 CG2 VAL A 23 1.341 -2.283 7.046 1.00 30.45 C ATOM 0 H VAL A 23 -0.965 -1.917 8.734 1.00 13.14 H new ATOM 0 HA VAL A 23 -1.904 -2.945 6.185 1.00 34.51 H new ATOM 0 HB VAL A 23 0.490 -3.551 5.553 1.00 43.24 H new ATOM 0 HG11 VAL A 23 0.818 -1.398 4.420 1.00 0.33 H new ATOM 0 HG12 VAL A 23 -0.890 -1.893 4.354 1.00 0.33 H new ATOM 0 HG13 VAL A 23 -0.372 -0.631 5.497 1.00 0.33 H new ATOM 0 HG21 VAL A 23 2.256 -2.125 6.475 1.00 30.45 H new ATOM 0 HG22 VAL A 23 1.089 -1.371 7.587 1.00 30.45 H new ATOM 0 HG23 VAL A 23 1.492 -3.096 7.756 1.00 30.45 H new ATOM 337 N THR A 24 -0.677 -5.219 7.087 1.00 14.34 N ATOM 338 CA THR A 24 -0.460 -6.459 7.757 1.00 62.15 C ATOM 339 C THR A 24 0.203 -7.331 6.709 1.00 2.21 C ATOM 340 O THR A 24 0.206 -6.972 5.534 1.00 53.14 O ATOM 341 CB THR A 24 -1.774 -7.092 8.285 1.00 23.11 C ATOM 342 OG1 THR A 24 -1.553 -8.321 8.976 1.00 42.22 O ATOM 343 CG2 THR A 24 -2.774 -7.289 7.118 1.00 44.20 C ATOM 0 H THR A 24 -0.650 -5.285 6.069 1.00 14.34 H new ATOM 0 HA THR A 24 0.152 -6.335 8.651 1.00 62.15 H new ATOM 0 HB THR A 24 -2.199 -6.400 9.012 1.00 23.11 H new ATOM 0 HG1 THR A 24 -2.410 -8.678 9.290 1.00 42.22 H new ATOM 0 HG21 THR A 24 -3.694 -7.734 7.498 1.00 44.20 H new ATOM 0 HG22 THR A 24 -2.998 -6.324 6.664 1.00 44.20 H new ATOM 0 HG23 THR A 24 -2.334 -7.948 6.369 1.00 44.20 H new ATOM 351 N GLY A 25 0.790 -8.476 7.121 1.00 41.10 N ATOM 352 CA GLY A 25 1.424 -9.392 6.176 1.00 31.11 C ATOM 353 C GLY A 25 2.818 -8.907 5.887 1.00 50.50 C ATOM 354 O GLY A 25 3.447 -8.250 6.723 1.00 33.21 O ATOM 0 H GLY A 25 0.833 -8.777 8.095 1.00 41.10 H new ATOM 0 HA2 GLY A 25 1.454 -10.400 6.590 1.00 31.11 H new ATOM 0 HA3 GLY A 25 0.844 -9.443 5.254 1.00 31.11 H new ATOM 358 N GLY A 26 3.336 -9.225 4.666 1.00 34.00 N ATOM 359 CA GLY A 26 4.609 -8.686 4.232 1.00 44.34 C ATOM 360 C GLY A 26 5.580 -9.788 4.046 1.00 34.50 C ATOM 361 O GLY A 26 5.979 -10.096 2.926 1.00 42.41 O ATOM 0 H GLY A 26 2.883 -9.843 3.993 1.00 34.00 H new ATOM 0 HA2 GLY A 26 4.483 -8.138 3.298 1.00 44.34 H new ATOM 0 HA3 GLY A 26 4.985 -7.977 4.970 1.00 44.34 H new ATOM 365 N VAL A 27 6.019 -10.394 5.169 1.00 61.21 N ATOM 366 CA VAL A 27 7.101 -11.389 5.166 1.00 61.33 C ATOM 367 C VAL A 27 6.632 -12.722 4.553 1.00 42.22 C ATOM 368 O VAL A 27 7.250 -13.769 4.757 1.00 14.41 O ATOM 369 CB VAL A 27 7.704 -11.625 6.544 1.00 42.22 C ATOM 370 CG1 VAL A 27 9.178 -12.051 6.351 1.00 13.14 C ATOM 371 CG2 VAL A 27 7.578 -10.323 7.346 1.00 44.21 C ATOM 0 H VAL A 27 5.634 -10.206 6.095 1.00 61.21 H new ATOM 0 HA VAL A 27 7.890 -10.968 4.543 1.00 61.33 H new ATOM 0 HB VAL A 27 7.190 -12.414 7.093 1.00 42.22 H new ATOM 0 HG11 VAL A 27 9.636 -12.227 7.324 1.00 13.14 H new ATOM 0 HG12 VAL A 27 9.218 -12.966 5.760 1.00 13.14 H new ATOM 0 HG13 VAL A 27 9.720 -11.260 5.832 1.00 13.14 H new ATOM 0 HG21 VAL A 27 8.003 -10.465 8.339 1.00 44.21 H new ATOM 0 HG22 VAL A 27 8.115 -9.526 6.832 1.00 44.21 H new ATOM 0 HG23 VAL A 27 6.526 -10.052 7.437 1.00 44.21 H new ATOM 381 N ASN A 28 5.512 -12.686 3.828 1.00 24.41 N ATOM 382 CA ASN A 28 4.939 -13.847 3.106 1.00 11.43 C ATOM 383 C ASN A 28 4.222 -14.729 4.098 1.00 71.01 C ATOM 384 O ASN A 28 3.703 -15.778 3.752 1.00 73.41 O ATOM 385 CB ASN A 28 5.971 -14.682 2.265 1.00 13.11 C ATOM 386 CG ASN A 28 5.226 -15.634 1.310 1.00 13.32 C ATOM 387 OD1 ASN A 28 4.495 -15.199 0.416 1.00 40.04 O ATOM 388 ND2 ASN A 28 5.418 -16.948 1.489 1.00 41.15 N ATOM 0 H ASN A 28 4.959 -11.836 3.718 1.00 24.41 H new ATOM 0 HA ASN A 28 4.249 -13.443 2.366 1.00 11.43 H new ATOM 0 HB2 ASN A 28 6.614 -14.012 1.695 1.00 13.11 H new ATOM 0 HB3 ASN A 28 6.617 -15.254 2.931 1.00 13.11 H new ATOM 0 HD21 ASN A 28 4.954 -17.619 0.877 1.00 41.15 H new ATOM 0 HD22 ASN A 28 6.028 -17.277 2.237 1.00 41.15 H new ATOM 395 N THR A 29 4.158 -14.242 5.356 1.00 62.33 N ATOM 396 CA THR A 29 3.346 -14.797 6.437 1.00 34.02 C ATOM 397 C THR A 29 1.858 -15.032 5.995 1.00 62.12 C ATOM 398 O THR A 29 1.522 -14.959 4.830 1.00 22.42 O ATOM 399 CB THR A 29 3.450 -13.940 7.719 1.00 52.50 C ATOM 400 OG1 THR A 29 2.963 -14.620 8.878 1.00 24.30 O ATOM 401 CG2 THR A 29 2.723 -12.592 7.515 1.00 54.43 C ATOM 0 H THR A 29 4.692 -13.423 5.647 1.00 62.33 H new ATOM 0 HA THR A 29 3.753 -15.779 6.677 1.00 34.02 H new ATOM 0 HB THR A 29 4.508 -13.750 7.900 1.00 52.50 H new ATOM 0 HG1 THR A 29 3.052 -14.037 9.661 1.00 24.30 H new ATOM 0 HG21 THR A 29 2.802 -11.995 8.424 1.00 54.43 H new ATOM 0 HG22 THR A 29 3.182 -12.053 6.686 1.00 54.43 H new ATOM 0 HG23 THR A 29 1.672 -12.776 7.291 1.00 54.43 H new ATOM 409 N SER A 30 0.995 -15.372 6.984 1.00 71.11 N ATOM 410 CA SER A 30 -0.357 -15.955 6.816 1.00 21.20 C ATOM 411 C SER A 30 -1.161 -15.399 5.650 1.00 54.32 C ATOM 412 O SER A 30 -1.907 -16.143 5.013 1.00 73.41 O ATOM 413 CB SER A 30 -1.204 -15.812 8.097 1.00 5.31 C ATOM 414 OG SER A 30 -1.128 -14.478 8.633 1.00 35.11 O ATOM 0 H SER A 30 1.235 -15.240 7.967 1.00 71.11 H new ATOM 0 HA SER A 30 -0.154 -17.003 6.597 1.00 21.20 H new ATOM 0 HB2 SER A 30 -2.243 -16.058 7.877 1.00 5.31 H new ATOM 0 HB3 SER A 30 -0.858 -16.526 8.845 1.00 5.31 H new ATOM 0 HG SER A 30 -1.676 -14.419 9.443 1.00 35.11 H new ATOM 420 N VAL A 31 -1.073 -14.089 5.377 1.00 74.10 N ATOM 421 CA VAL A 31 -1.925 -13.475 4.377 1.00 60.20 C ATOM 422 C VAL A 31 -1.697 -14.131 3.013 1.00 45.15 C ATOM 423 O VAL A 31 -0.580 -14.524 2.664 1.00 45.42 O ATOM 424 CB VAL A 31 -1.774 -11.977 4.285 1.00 73.41 C ATOM 425 CG1 VAL A 31 -2.221 -11.380 5.639 1.00 22.30 C ATOM 426 CG2 VAL A 31 -0.314 -11.633 3.932 1.00 71.44 C ATOM 0 H VAL A 31 -0.424 -13.449 5.835 1.00 74.10 H new ATOM 0 HA VAL A 31 -2.952 -13.648 4.699 1.00 60.20 H new ATOM 0 HB VAL A 31 -2.395 -11.550 3.497 1.00 73.41 H new ATOM 0 HG11 VAL A 31 -2.124 -10.295 5.608 1.00 22.30 H new ATOM 0 HG12 VAL A 31 -3.261 -11.647 5.829 1.00 22.30 H new ATOM 0 HG13 VAL A 31 -1.593 -11.777 6.437 1.00 22.30 H new ATOM 0 HG21 VAL A 31 -0.201 -10.551 3.865 1.00 71.44 H new ATOM 0 HG22 VAL A 31 0.348 -12.019 4.707 1.00 71.44 H new ATOM 0 HG23 VAL A 31 -0.055 -12.085 2.975 1.00 71.44 H new ATOM 436 N ARG A 32 -2.822 -14.312 2.278 1.00 64.51 N ATOM 437 CA ARG A 32 -2.903 -15.099 1.040 1.00 23.22 C ATOM 438 C ARG A 32 -1.719 -14.878 0.126 1.00 30.22 C ATOM 439 O ARG A 32 -0.920 -15.771 -0.073 1.00 22.05 O ATOM 440 CB ARG A 32 -4.192 -14.834 0.242 1.00 30.24 C ATOM 441 CG ARG A 32 -5.458 -15.238 0.993 1.00 1.31 C ATOM 442 CD ARG A 32 -6.744 -14.967 0.195 1.00 63.32 C ATOM 443 NE ARG A 32 -7.917 -15.387 1.030 1.00 74.11 N ATOM 444 CZ ARG A 32 -8.373 -16.692 1.054 1.00 51.53 C ATOM 445 NH1 ARG A 32 -7.810 -17.647 0.251 1.00 53.10 N ATOM 446 NH2 ARG A 32 -9.388 -17.034 1.894 1.00 72.44 N ATOM 0 H ARG A 32 -3.717 -13.901 2.544 1.00 64.51 H new ATOM 0 HA ARG A 32 -2.904 -16.135 1.380 1.00 23.22 H new ATOM 0 HB2 ARG A 32 -4.247 -13.774 -0.006 1.00 30.24 H new ATOM 0 HB3 ARG A 32 -4.147 -15.380 -0.701 1.00 30.24 H new ATOM 0 HG2 ARG A 32 -5.406 -16.299 1.237 1.00 1.31 H new ATOM 0 HG3 ARG A 32 -5.502 -14.695 1.937 1.00 1.31 H new ATOM 0 HD2 ARG A 32 -6.818 -13.909 -0.058 1.00 63.32 H new ATOM 0 HD3 ARG A 32 -6.731 -15.519 -0.745 1.00 63.32 H new ATOM 0 HE ARG A 32 -8.394 -14.687 1.599 1.00 74.11 H new ATOM 0 HH11 ARG A 32 -7.044 -17.400 -0.375 1.00 53.10 H new ATOM 0 HH12 ARG A 32 -8.157 -18.606 0.279 1.00 53.10 H new ATOM 0 HH21 ARG A 32 -9.807 -16.329 2.501 1.00 72.44 H new ATOM 0 HH22 ARG A 32 -9.729 -17.995 1.917 1.00 72.44 H new ATOM 460 N HIS A 33 -1.612 -13.695 -0.486 1.00 32.35 N ATOM 461 CA HIS A 33 -0.595 -13.483 -1.516 1.00 5.44 C ATOM 462 C HIS A 33 0.692 -13.022 -0.842 1.00 62.40 C ATOM 463 O HIS A 33 1.590 -12.515 -1.496 1.00 61.44 O ATOM 464 CB HIS A 33 -1.018 -12.417 -2.564 1.00 54.32 C ATOM 465 CG HIS A 33 -0.360 -12.554 -3.935 1.00 25.14 C ATOM 466 ND1 HIS A 33 0.930 -12.947 -4.106 1.00 14.12 N ATOM 467 CD2 HIS A 33 -0.853 -12.283 -5.167 1.00 25.11 C ATOM 468 CE1 HIS A 33 1.217 -12.921 -5.397 1.00 11.12 C ATOM 469 NE2 HIS A 33 0.150 -12.511 -6.060 1.00 5.21 N ATOM 0 H HIS A 33 -2.203 -12.887 -0.291 1.00 32.35 H new ATOM 0 HA HIS A 33 -0.457 -14.427 -2.044 1.00 5.44 H new ATOM 0 HB2 HIS A 33 -2.099 -12.466 -2.692 1.00 54.32 H new ATOM 0 HB3 HIS A 33 -0.788 -11.429 -2.166 1.00 54.32 H new ATOM 0 HD1 HIS A 33 1.572 -13.218 -3.361 1.00 14.12 H new ATOM 0 HD2 HIS A 33 -1.854 -11.949 -5.398 1.00 25.11 H new ATOM 0 HE1 HIS A 33 2.166 -13.190 -5.836 1.00 11.12 H new ATOM 478 N GLY A 34 0.798 -13.202 0.501 1.00 51.21 N ATOM 479 CA GLY A 34 2.033 -12.899 1.247 1.00 45.13 C ATOM 480 C GLY A 34 2.345 -11.409 1.309 1.00 11.51 C ATOM 481 O GLY A 34 3.270 -10.999 1.998 1.00 71.41 O ATOM 0 H GLY A 34 0.039 -13.556 1.083 1.00 51.21 H new ATOM 0 HA2 GLY A 34 1.942 -13.287 2.261 1.00 45.13 H new ATOM 0 HA3 GLY A 34 2.869 -13.420 0.780 1.00 45.13 H new ATOM 485 N GLY A 35 1.594 -10.594 0.572 1.00 54.44 N ATOM 486 CA GLY A 35 1.897 -9.188 0.383 1.00 13.32 C ATOM 487 C GLY A 35 1.488 -8.423 1.587 1.00 24.04 C ATOM 488 O GLY A 35 0.986 -8.977 2.551 1.00 64.31 O ATOM 0 H GLY A 35 0.751 -10.900 0.087 1.00 54.44 H new ATOM 0 HA2 GLY A 35 2.964 -9.057 0.202 1.00 13.32 H new ATOM 0 HA3 GLY A 35 1.375 -8.808 -0.496 1.00 13.32 H new ATOM 492 N ILE A 36 1.691 -7.090 1.527 1.00 21.12 N ATOM 493 CA ILE A 36 1.159 -6.213 2.518 1.00 0.23 C ATOM 494 C ILE A 36 -0.271 -6.135 2.123 1.00 21.45 C ATOM 495 O ILE A 36 -0.557 -5.879 0.957 1.00 3.35 O ATOM 496 CB ILE A 36 1.773 -4.794 2.412 1.00 32.10 C ATOM 497 CG1 ILE A 36 2.882 -4.563 3.428 1.00 12.23 C ATOM 498 CG2 ILE A 36 0.691 -3.679 2.518 1.00 42.13 C ATOM 499 CD1 ILE A 36 3.951 -5.622 3.542 1.00 12.22 C ATOM 0 H ILE A 36 2.223 -6.625 0.791 1.00 21.12 H new ATOM 0 HA ILE A 36 1.350 -6.561 3.533 1.00 0.23 H new ATOM 0 HB ILE A 36 2.220 -4.735 1.420 1.00 32.10 H new ATOM 0 HG12 ILE A 36 3.369 -3.618 3.187 1.00 12.23 H new ATOM 0 HG13 ILE A 36 2.421 -4.443 4.408 1.00 12.23 H new ATOM 0 HG21 ILE A 36 1.167 -2.702 2.439 1.00 42.13 H new ATOM 0 HG22 ILE A 36 -0.033 -3.797 1.712 1.00 42.13 H new ATOM 0 HG23 ILE A 36 0.181 -3.757 3.478 1.00 42.13 H new ATOM 0 HD11 ILE A 36 4.675 -5.328 4.302 1.00 12.22 H new ATOM 0 HD12 ILE A 36 3.495 -6.571 3.824 1.00 12.22 H new ATOM 0 HD13 ILE A 36 4.457 -5.733 2.583 1.00 12.22 H new ATOM 511 N TYR A 37 -1.197 -6.373 3.040 1.00 54.31 N ATOM 512 CA TYR A 37 -2.592 -6.172 2.730 1.00 22.31 C ATOM 513 C TYR A 37 -2.950 -4.953 3.467 1.00 0.21 C ATOM 514 O TYR A 37 -2.386 -4.683 4.538 1.00 64.41 O ATOM 515 CB TYR A 37 -3.536 -7.311 3.223 1.00 1.53 C ATOM 516 CG TYR A 37 -3.507 -8.431 2.215 1.00 12.23 C ATOM 517 CD1 TYR A 37 -2.338 -9.198 2.003 1.00 30.15 C ATOM 518 CD2 TYR A 37 -4.658 -8.721 1.449 1.00 65.04 C ATOM 519 CE1 TYR A 37 -2.319 -10.217 1.030 1.00 0.21 C ATOM 520 CE2 TYR A 37 -4.639 -9.731 0.478 1.00 43.20 C ATOM 521 CZ TYR A 37 -3.471 -10.478 0.262 1.00 11.33 C ATOM 522 OH TYR A 37 -3.449 -11.484 -0.722 1.00 72.25 O ATOM 0 H TYR A 37 -1.006 -6.700 3.987 1.00 54.31 H new ATOM 0 HA TYR A 37 -2.715 -6.130 1.648 1.00 22.31 H new ATOM 0 HB2 TYR A 37 -3.214 -7.673 4.200 1.00 1.53 H new ATOM 0 HB3 TYR A 37 -4.552 -6.935 3.341 1.00 1.53 H new ATOM 0 HD1 TYR A 37 -1.454 -9.001 2.591 1.00 30.15 H new ATOM 0 HD2 TYR A 37 -5.564 -8.157 1.614 1.00 65.04 H new ATOM 0 HE1 TYR A 37 -1.422 -10.798 0.873 1.00 0.21 H new ATOM 0 HE2 TYR A 37 -5.525 -9.935 -0.105 1.00 43.20 H new ATOM 0 HH TYR A 37 -4.325 -11.534 -1.158 1.00 72.25 H new ATOM 532 N VAL A 38 -3.878 -4.154 2.918 1.00 4.54 N ATOM 533 CA VAL A 38 -4.277 -2.952 3.575 1.00 22.14 C ATOM 534 C VAL A 38 -5.214 -3.357 4.693 1.00 41.03 C ATOM 535 O VAL A 38 -6.380 -3.722 4.483 1.00 11.05 O ATOM 536 CB VAL A 38 -4.953 -1.977 2.635 1.00 10.03 C ATOM 537 CG1 VAL A 38 -5.388 -0.735 3.420 1.00 60.30 C ATOM 538 CG2 VAL A 38 -3.946 -1.646 1.506 1.00 13.22 C ATOM 0 H VAL A 38 -4.347 -4.336 2.031 1.00 4.54 H new ATOM 0 HA VAL A 38 -3.399 -2.432 3.958 1.00 22.14 H new ATOM 0 HB VAL A 38 -5.853 -2.398 2.187 1.00 10.03 H new ATOM 0 HG11 VAL A 38 -5.875 -0.031 2.746 1.00 60.30 H new ATOM 0 HG12 VAL A 38 -6.085 -1.027 4.206 1.00 60.30 H new ATOM 0 HG13 VAL A 38 -4.514 -0.263 3.868 1.00 60.30 H new ATOM 0 HG21 VAL A 38 -4.401 -0.944 0.807 1.00 13.22 H new ATOM 0 HG22 VAL A 38 -3.050 -1.200 1.937 1.00 13.22 H new ATOM 0 HG23 VAL A 38 -3.678 -2.561 0.978 1.00 13.22 H new ATOM 548 N LYS A 39 -4.647 -3.351 5.900 1.00 35.02 N ATOM 549 CA LYS A 39 -5.294 -3.822 7.096 1.00 55.32 C ATOM 550 C LYS A 39 -6.354 -2.856 7.533 1.00 51.42 C ATOM 551 O LYS A 39 -7.412 -3.265 7.995 1.00 13.44 O ATOM 552 CB LYS A 39 -4.251 -3.990 8.219 1.00 31.52 C ATOM 553 CG LYS A 39 -4.613 -4.972 9.334 1.00 63.31 C ATOM 554 CD LYS A 39 -5.190 -4.362 10.588 1.00 43.41 C ATOM 555 CE LYS A 39 -4.228 -3.367 11.279 1.00 64.30 C ATOM 556 NZ LYS A 39 -4.710 -2.953 12.614 1.00 50.55 N ATOM 0 H LYS A 39 -3.701 -3.007 6.063 1.00 35.02 H new ATOM 0 HA LYS A 39 -5.761 -4.784 6.886 1.00 55.32 H new ATOM 0 HB2 LYS A 39 -3.312 -4.313 7.769 1.00 31.52 H new ATOM 0 HB3 LYS A 39 -4.070 -3.013 8.668 1.00 31.52 H new ATOM 0 HG2 LYS A 39 -5.331 -5.691 8.939 1.00 63.31 H new ATOM 0 HG3 LYS A 39 -3.717 -5.531 9.604 1.00 63.31 H new ATOM 0 HD2 LYS A 39 -6.118 -3.847 10.340 1.00 43.41 H new ATOM 0 HD3 LYS A 39 -5.444 -5.158 11.288 1.00 43.41 H new ATOM 0 HE2 LYS A 39 -3.244 -3.826 11.377 1.00 64.30 H new ATOM 0 HE3 LYS A 39 -4.108 -2.485 10.649 1.00 64.30 H new ATOM 0 HZ1 LYS A 39 -4.150 -2.143 12.950 1.00 50.55 H new ATOM 0 HZ2 LYS A 39 -5.711 -2.679 12.552 1.00 50.55 H new ATOM 0 HZ3 LYS A 39 -4.608 -3.745 13.281 1.00 50.55 H new ATOM 570 N ALA A 40 -6.109 -1.558 7.388 1.00 13.12 N ATOM 571 CA ALA A 40 -7.106 -0.601 7.780 1.00 32.35 C ATOM 572 C ALA A 40 -6.827 0.611 7.006 1.00 61.42 C ATOM 573 O ALA A 40 -5.664 0.953 6.790 1.00 40.32 O ATOM 574 CB ALA A 40 -7.064 -0.211 9.281 1.00 22.00 C ATOM 0 H ALA A 40 -5.248 -1.163 7.011 1.00 13.12 H new ATOM 0 HA ALA A 40 -8.086 -1.044 7.601 1.00 32.35 H new ATOM 0 HB1 ALA A 40 -7.850 0.515 9.490 1.00 22.00 H new ATOM 0 HB2 ALA A 40 -7.219 -1.100 9.892 1.00 22.00 H new ATOM 0 HB3 ALA A 40 -6.094 0.226 9.516 1.00 22.00 H new ATOM 580 N VAL A 41 -7.889 1.300 6.568 1.00 75.12 N ATOM 581 CA VAL A 41 -7.749 2.558 5.926 1.00 21.12 C ATOM 582 C VAL A 41 -8.462 3.487 6.851 1.00 41.44 C ATOM 583 O VAL A 41 -9.583 3.190 7.281 1.00 13.11 O ATOM 584 CB VAL A 41 -8.451 2.613 4.560 1.00 2.11 C ATOM 585 CG1 VAL A 41 -8.143 3.959 3.878 1.00 44.31 C ATOM 586 CG2 VAL A 41 -7.984 1.415 3.723 1.00 44.35 C ATOM 0 H VAL A 41 -8.853 0.980 6.661 1.00 75.12 H new ATOM 0 HA VAL A 41 -6.700 2.789 5.740 1.00 21.12 H new ATOM 0 HB VAL A 41 -9.533 2.548 4.672 1.00 2.11 H new ATOM 0 HG11 VAL A 41 -8.641 3.998 2.909 1.00 44.31 H new ATOM 0 HG12 VAL A 41 -8.503 4.775 4.504 1.00 44.31 H new ATOM 0 HG13 VAL A 41 -7.067 4.058 3.737 1.00 44.31 H new ATOM 0 HG21 VAL A 41 -8.473 1.439 2.749 1.00 44.35 H new ATOM 0 HG22 VAL A 41 -6.904 1.465 3.588 1.00 44.35 H new ATOM 0 HG23 VAL A 41 -8.243 0.489 4.237 1.00 44.35 H new ATOM 596 N ILE A 42 -7.846 4.613 7.215 1.00 52.24 N ATOM 597 CA ILE A 42 -8.542 5.594 8.019 1.00 63.00 C ATOM 598 C ILE A 42 -9.549 6.268 7.101 1.00 64.34 C ATOM 599 O ILE A 42 -9.300 6.437 5.905 1.00 70.22 O ATOM 600 CB ILE A 42 -7.638 6.643 8.707 1.00 33.53 C ATOM 601 CG1 ILE A 42 -7.042 7.690 7.721 1.00 23.43 C ATOM 602 CG2 ILE A 42 -6.568 5.881 9.521 1.00 12.22 C ATOM 603 CD1 ILE A 42 -6.185 7.086 6.623 1.00 32.53 C ATOM 0 H ILE A 42 -6.887 4.857 6.968 1.00 52.24 H new ATOM 0 HA ILE A 42 -9.013 5.076 8.854 1.00 63.00 H new ATOM 0 HB ILE A 42 -8.238 7.253 9.382 1.00 33.53 H new ATOM 0 HG12 ILE A 42 -7.858 8.250 7.264 1.00 23.43 H new ATOM 0 HG13 ILE A 42 -6.442 8.404 8.285 1.00 23.43 H new ATOM 0 HG21 ILE A 42 -5.913 6.595 10.020 1.00 12.22 H new ATOM 0 HG22 ILE A 42 -7.056 5.254 10.267 1.00 12.22 H new ATOM 0 HG23 ILE A 42 -5.979 5.255 8.851 1.00 12.22 H new ATOM 0 HD11 ILE A 42 -5.807 7.880 5.978 1.00 32.53 H new ATOM 0 HD12 ILE A 42 -5.347 6.551 7.069 1.00 32.53 H new ATOM 0 HD13 ILE A 42 -6.785 6.394 6.033 1.00 32.53 H new ATOM 615 N PRO A 43 -10.723 6.625 7.634 1.00 1.51 N ATOM 616 CA PRO A 43 -11.744 7.269 6.841 1.00 51.42 C ATOM 617 C PRO A 43 -11.282 8.646 6.672 1.00 62.52 C ATOM 618 O PRO A 43 -10.343 9.050 7.399 1.00 43.13 O ATOM 619 CB PRO A 43 -12.957 7.305 7.758 1.00 31.51 C ATOM 620 CG PRO A 43 -12.315 7.493 9.126 1.00 43.51 C ATOM 621 CD PRO A 43 -11.100 6.530 9.048 1.00 33.11 C ATOM 0 HA PRO A 43 -11.952 6.790 5.884 1.00 51.42 H new ATOM 0 HB2 PRO A 43 -13.633 8.123 7.509 1.00 31.51 H new ATOM 0 HB3 PRO A 43 -13.537 6.384 7.703 1.00 31.51 H new ATOM 0 HG2 PRO A 43 -12.007 8.525 9.294 1.00 43.51 H new ATOM 0 HG3 PRO A 43 -12.995 7.227 9.936 1.00 43.51 H new ATOM 0 HD2 PRO A 43 -10.290 6.841 9.708 1.00 33.11 H new ATOM 0 HD3 PRO A 43 -11.368 5.512 9.331 1.00 33.11 H new ATOM 629 N GLN A 44 -11.928 9.409 5.803 1.00 3.25 N ATOM 630 CA GLN A 44 -11.722 10.835 5.750 1.00 73.13 C ATOM 631 C GLN A 44 -10.305 11.175 5.288 1.00 33.03 C ATOM 632 O GLN A 44 -9.980 12.331 5.097 1.00 63.32 O ATOM 633 CB GLN A 44 -12.061 11.520 7.118 1.00 3.40 C ATOM 634 CG GLN A 44 -13.572 11.656 7.351 1.00 33.54 C ATOM 635 CD GLN A 44 -13.785 12.092 8.792 1.00 40.15 C ATOM 636 OE1 GLN A 44 -13.650 11.281 9.717 1.00 42.34 O ATOM 637 NE2 GLN A 44 -14.115 13.372 9.008 1.00 51.32 N ATOM 0 H GLN A 44 -12.602 9.055 5.124 1.00 3.25 H new ATOM 0 HA GLN A 44 -12.414 11.237 5.010 1.00 73.13 H new ATOM 0 HB2 GLN A 44 -11.623 10.939 7.930 1.00 3.40 H new ATOM 0 HB3 GLN A 44 -11.602 12.508 7.149 1.00 3.40 H new ATOM 0 HG2 GLN A 44 -14.000 12.386 6.664 1.00 33.54 H new ATOM 0 HG3 GLN A 44 -14.074 10.707 7.161 1.00 33.54 H new ATOM 0 HE21 GLN A 44 -14.218 14.012 8.221 1.00 51.32 H new ATOM 0 HE22 GLN A 44 -14.264 13.707 9.960 1.00 51.32 H new ATOM 646 N GLY A 45 -9.459 10.166 5.085 1.00 12.32 N ATOM 647 CA GLY A 45 -8.089 10.379 4.711 1.00 71.42 C ATOM 648 C GLY A 45 -8.006 10.354 3.235 1.00 32.43 C ATOM 649 O GLY A 45 -9.010 10.201 2.544 1.00 53.24 O ATOM 0 H GLY A 45 -9.718 9.184 5.179 1.00 12.32 H new ATOM 0 HA2 GLY A 45 -7.734 11.335 5.096 1.00 71.42 H new ATOM 0 HA3 GLY A 45 -7.452 9.606 5.141 1.00 71.42 H new ATOM 653 N ALA A 46 -6.777 10.523 2.712 1.00 72.13 N ATOM 654 CA ALA A 46 -6.543 10.589 1.274 1.00 61.15 C ATOM 655 C ALA A 46 -6.920 9.268 0.680 1.00 23.21 C ATOM 656 O ALA A 46 -7.693 9.207 -0.241 1.00 72.32 O ATOM 657 CB ALA A 46 -5.076 10.884 0.896 1.00 61.14 C ATOM 0 H ALA A 46 -5.932 10.616 3.276 1.00 72.13 H new ATOM 0 HA ALA A 46 -7.145 11.413 0.889 1.00 61.15 H new ATOM 0 HB1 ALA A 46 -4.980 10.918 -0.189 1.00 61.14 H new ATOM 0 HB2 ALA A 46 -4.778 11.844 1.317 1.00 61.14 H new ATOM 0 HB3 ALA A 46 -4.433 10.098 1.293 1.00 61.14 H new ATOM 663 N ALA A 47 -6.371 8.177 1.253 1.00 50.54 N ATOM 664 CA ALA A 47 -6.598 6.829 0.722 1.00 42.34 C ATOM 665 C ALA A 47 -8.081 6.549 0.574 1.00 34.54 C ATOM 666 O ALA A 47 -8.527 6.137 -0.497 1.00 22.12 O ATOM 667 CB ALA A 47 -5.989 5.737 1.617 1.00 31.13 C ATOM 0 H ALA A 47 -5.772 8.209 2.078 1.00 50.54 H new ATOM 0 HA ALA A 47 -6.107 6.801 -0.251 1.00 42.34 H new ATOM 0 HB1 ALA A 47 -6.184 4.758 1.180 1.00 31.13 H new ATOM 0 HB2 ALA A 47 -4.913 5.890 1.697 1.00 31.13 H new ATOM 0 HB3 ALA A 47 -6.437 5.788 2.609 1.00 31.13 H new ATOM 673 N GLU A 48 -8.868 6.800 1.622 1.00 1.13 N ATOM 674 CA GLU A 48 -10.306 6.565 1.566 1.00 23.54 C ATOM 675 C GLU A 48 -10.959 7.511 0.557 1.00 43.23 C ATOM 676 O GLU A 48 -11.657 7.069 -0.356 1.00 22.13 O ATOM 677 CB GLU A 48 -10.988 6.784 2.946 1.00 71.52 C ATOM 678 CG GLU A 48 -12.518 6.583 2.944 1.00 12.04 C ATOM 679 CD GLU A 48 -12.858 5.121 2.707 1.00 13.30 C ATOM 680 OE1 GLU A 48 -11.940 4.270 2.626 1.00 25.42 O ATOM 681 OE2 GLU A 48 -14.062 4.812 2.593 1.00 3.22 O ATOM 0 H GLU A 48 -8.533 7.164 2.514 1.00 1.13 H new ATOM 0 HA GLU A 48 -10.442 5.526 1.265 1.00 23.54 H new ATOM 0 HB2 GLU A 48 -10.545 6.098 3.668 1.00 71.52 H new ATOM 0 HB3 GLU A 48 -10.768 7.795 3.289 1.00 71.52 H new ATOM 0 HG2 GLU A 48 -12.936 6.911 3.896 1.00 12.04 H new ATOM 0 HG3 GLU A 48 -12.971 7.199 2.168 1.00 12.04 H new ATOM 688 N SER A 49 -10.760 8.834 0.730 1.00 64.14 N ATOM 689 CA SER A 49 -11.479 9.842 -0.053 1.00 1.11 C ATOM 690 C SER A 49 -11.109 9.763 -1.526 1.00 53.40 C ATOM 691 O SER A 49 -11.933 10.069 -2.395 1.00 4.41 O ATOM 692 CB SER A 49 -11.186 11.278 0.442 1.00 11.30 C ATOM 693 OG SER A 49 -11.657 11.432 1.802 1.00 61.35 O ATOM 0 H SER A 49 -10.105 9.223 1.408 1.00 64.14 H new ATOM 0 HA SER A 49 -12.539 9.626 0.078 1.00 1.11 H new ATOM 0 HB2 SER A 49 -10.116 11.478 0.393 1.00 11.30 H new ATOM 0 HB3 SER A 49 -11.676 12.004 -0.207 1.00 11.30 H new ATOM 0 HG SER A 49 -10.978 11.096 2.423 1.00 61.35 H new ATOM 699 N ASP A 50 -9.866 9.360 -1.840 1.00 72.22 N ATOM 700 CA ASP A 50 -9.428 9.325 -3.235 1.00 44.22 C ATOM 701 C ASP A 50 -9.961 8.041 -3.819 1.00 62.20 C ATOM 702 O ASP A 50 -10.369 7.973 -4.977 1.00 1.14 O ATOM 703 CB ASP A 50 -7.880 9.363 -3.408 1.00 1.42 C ATOM 704 CG ASP A 50 -7.520 9.920 -4.792 1.00 72.51 C ATOM 705 OD1 ASP A 50 -8.444 10.249 -5.591 1.00 51.41 O ATOM 706 OD2 ASP A 50 -6.314 10.085 -5.057 1.00 43.41 O ATOM 0 H ASP A 50 -9.166 9.062 -1.161 1.00 72.22 H new ATOM 0 HA ASP A 50 -9.805 10.215 -3.739 1.00 44.22 H new ATOM 0 HB2 ASP A 50 -7.434 9.983 -2.630 1.00 1.42 H new ATOM 0 HB3 ASP A 50 -7.468 8.361 -3.292 1.00 1.42 H new ATOM 711 N GLY A 51 -10.050 6.996 -2.972 1.00 71.24 N ATOM 712 CA GLY A 51 -10.719 5.772 -3.362 1.00 11.34 C ATOM 713 C GLY A 51 -9.814 4.919 -4.173 1.00 51.41 C ATOM 714 O GLY A 51 -10.265 4.004 -4.842 1.00 71.25 O ATOM 0 H GLY A 51 -9.667 6.989 -2.027 1.00 71.24 H new ATOM 0 HA2 GLY A 51 -11.042 5.228 -2.474 1.00 11.34 H new ATOM 0 HA3 GLY A 51 -11.616 6.008 -3.935 1.00 11.34 H new ATOM 718 N ARG A 52 -8.494 5.166 -4.120 1.00 55.12 N ATOM 719 CA ARG A 52 -7.558 4.345 -4.873 1.00 54.20 C ATOM 720 C ARG A 52 -7.209 3.157 -4.031 1.00 32.34 C ATOM 721 O ARG A 52 -6.362 2.349 -4.407 1.00 53.41 O ATOM 722 CB ARG A 52 -6.224 5.078 -5.134 1.00 42.35 C ATOM 723 CG ARG A 52 -6.345 6.306 -6.026 1.00 11.24 C ATOM 724 CD ARG A 52 -6.692 5.950 -7.473 1.00 24.24 C ATOM 725 NE ARG A 52 -6.655 7.195 -8.281 1.00 60.12 N ATOM 726 CZ ARG A 52 -7.760 7.990 -8.445 1.00 51.55 C ATOM 727 NH1 ARG A 52 -8.975 7.633 -7.908 1.00 32.43 N ATOM 728 NH2 ARG A 52 -7.642 9.135 -9.146 1.00 11.11 N ATOM 0 H ARG A 52 -8.067 5.914 -3.573 1.00 55.12 H new ATOM 0 HA ARG A 52 -8.030 4.089 -5.821 1.00 54.20 H new ATOM 0 HB2 ARG A 52 -5.796 5.379 -4.178 1.00 42.35 H new ATOM 0 HB3 ARG A 52 -5.523 4.380 -5.591 1.00 42.35 H new ATOM 0 HG2 ARG A 52 -7.112 6.968 -5.625 1.00 11.24 H new ATOM 0 HG3 ARG A 52 -5.406 6.858 -6.007 1.00 11.24 H new ATOM 0 HD2 ARG A 52 -5.983 5.221 -7.865 1.00 24.24 H new ATOM 0 HD3 ARG A 52 -7.680 5.493 -7.525 1.00 24.24 H new ATOM 0 HE ARG A 52 -5.780 7.468 -8.728 1.00 60.12 H new ATOM 0 HH11 ARG A 52 -9.064 6.766 -7.379 1.00 32.43 H new ATOM 0 HH12 ARG A 52 -9.787 8.236 -8.039 1.00 32.43 H new ATOM 0 HH21 ARG A 52 -6.741 9.398 -9.545 1.00 11.11 H new ATOM 0 HH22 ARG A 52 -8.454 9.738 -9.278 1.00 11.11 H new ATOM 742 N ILE A 53 -7.818 3.048 -2.850 1.00 44.22 N ATOM 743 CA ILE A 53 -7.386 2.112 -1.883 1.00 62.24 C ATOM 744 C ILE A 53 -8.640 1.707 -1.168 1.00 45.11 C ATOM 745 O ILE A 53 -9.583 2.502 -1.023 1.00 62.43 O ATOM 746 CB ILE A 53 -6.348 2.718 -0.888 1.00 52.34 C ATOM 747 CG1 ILE A 53 -4.991 2.905 -1.610 1.00 54.21 C ATOM 748 CG2 ILE A 53 -6.181 1.818 0.351 1.00 14.11 C ATOM 749 CD1 ILE A 53 -3.980 3.778 -0.870 1.00 72.34 C ATOM 0 H ILE A 53 -8.617 3.614 -2.564 1.00 44.22 H new ATOM 0 HA ILE A 53 -6.872 1.270 -2.347 1.00 62.24 H new ATOM 0 HB ILE A 53 -6.712 3.687 -0.547 1.00 52.34 H new ATOM 0 HG12 ILE A 53 -4.547 1.923 -1.777 1.00 54.21 H new ATOM 0 HG13 ILE A 53 -5.176 3.342 -2.591 1.00 54.21 H new ATOM 0 HG21 ILE A 53 -5.452 2.263 1.028 1.00 14.11 H new ATOM 0 HG22 ILE A 53 -7.139 1.721 0.862 1.00 14.11 H new ATOM 0 HG23 ILE A 53 -5.833 0.833 0.041 1.00 14.11 H new ATOM 0 HD11 ILE A 53 -3.063 3.849 -1.455 1.00 72.34 H new ATOM 0 HD12 ILE A 53 -4.396 4.775 -0.726 1.00 72.34 H new ATOM 0 HD13 ILE A 53 -3.758 3.334 0.101 1.00 72.34 H new ATOM 761 N HIS A 54 -8.664 0.452 -0.731 1.00 44.42 N ATOM 762 CA HIS A 54 -9.710 -0.041 0.110 1.00 72.13 C ATOM 763 C HIS A 54 -9.085 -1.147 0.852 1.00 3.22 C ATOM 764 O HIS A 54 -7.987 -1.593 0.488 1.00 61.00 O ATOM 765 CB HIS A 54 -10.999 -0.577 -0.604 1.00 61.52 C ATOM 766 CG HIS A 54 -10.833 -1.886 -1.351 1.00 42.30 C ATOM 767 ND1 HIS A 54 -11.900 -2.678 -1.677 1.00 11.22 N ATOM 768 CD2 HIS A 54 -9.732 -2.495 -1.815 1.00 74.32 C ATOM 769 CE1 HIS A 54 -11.449 -3.750 -2.314 1.00 0.40 C ATOM 770 NE2 HIS A 54 -10.128 -3.655 -2.407 1.00 3.52 N ATOM 0 H HIS A 54 -7.950 -0.240 -0.959 1.00 44.42 H new ATOM 0 HA HIS A 54 -10.081 0.791 0.709 1.00 72.13 H new ATOM 0 HB2 HIS A 54 -11.782 -0.702 0.144 1.00 61.52 H new ATOM 0 HB3 HIS A 54 -11.346 0.181 -1.306 1.00 61.52 H new ATOM 0 HD2 HIS A 54 -8.718 -2.132 -1.734 1.00 74.32 H new ATOM 0 HE1 HIS A 54 -12.053 -4.561 -2.692 1.00 0.40 H new ATOM 0 HE2 HIS A 54 -9.512 -4.338 -2.849 1.00 3.52 H new ATOM 779 N LYS A 55 -9.751 -1.627 1.904 1.00 43.43 N ATOM 780 CA LYS A 55 -9.253 -2.749 2.660 1.00 34.01 C ATOM 781 C LYS A 55 -9.286 -3.962 1.773 1.00 4.02 C ATOM 782 O LYS A 55 -10.178 -4.112 0.938 1.00 54.22 O ATOM 783 CB LYS A 55 -10.104 -3.064 3.908 1.00 2.22 C ATOM 784 CG LYS A 55 -10.061 -1.953 4.967 1.00 31.43 C ATOM 785 CD LYS A 55 -11.087 -2.139 6.089 1.00 23.04 C ATOM 786 CE LYS A 55 -12.536 -1.844 5.638 1.00 12.13 C ATOM 787 NZ LYS A 55 -13.477 -2.000 6.760 1.00 55.40 N ATOM 0 H LYS A 55 -10.635 -1.248 2.242 1.00 43.43 H new ATOM 0 HA LYS A 55 -8.247 -2.494 2.995 1.00 34.01 H new ATOM 0 HB2 LYS A 55 -11.138 -3.226 3.603 1.00 2.22 H new ATOM 0 HB3 LYS A 55 -9.753 -3.995 4.353 1.00 2.22 H new ATOM 0 HG2 LYS A 55 -9.062 -1.914 5.402 1.00 31.43 H new ATOM 0 HG3 LYS A 55 -10.235 -0.993 4.482 1.00 31.43 H new ATOM 0 HD2 LYS A 55 -11.029 -3.162 6.461 1.00 23.04 H new ATOM 0 HD3 LYS A 55 -10.831 -1.483 6.921 1.00 23.04 H new ATOM 0 HE2 LYS A 55 -12.599 -0.830 5.243 1.00 12.13 H new ATOM 0 HE3 LYS A 55 -12.814 -2.519 4.828 1.00 12.13 H new ATOM 0 HZ1 LYS A 55 -14.443 -1.797 6.433 1.00 55.40 H new ATOM 0 HZ2 LYS A 55 -13.431 -2.975 7.119 1.00 55.40 H new ATOM 0 HZ3 LYS A 55 -13.223 -1.338 7.521 1.00 55.40 H new ATOM 801 N GLY A 56 -8.306 -4.841 1.949 1.00 74.12 N ATOM 802 CA GLY A 56 -8.315 -6.120 1.276 1.00 43.30 C ATOM 803 C GLY A 56 -7.348 -6.079 0.145 1.00 64.34 C ATOM 804 O GLY A 56 -6.733 -7.076 -0.158 1.00 14.11 O ATOM 0 H GLY A 56 -7.499 -4.685 2.553 1.00 74.12 H new ATOM 0 HA2 GLY A 56 -8.046 -6.914 1.973 1.00 43.30 H new ATOM 0 HA3 GLY A 56 -9.316 -6.345 0.908 1.00 43.30 H new ATOM 808 N ASP A 57 -7.172 -4.901 -0.510 1.00 11.45 N ATOM 809 CA ASP A 57 -6.179 -4.795 -1.597 1.00 42.03 C ATOM 810 C ASP A 57 -4.825 -4.841 -0.988 1.00 55.11 C ATOM 811 O ASP A 57 -4.665 -4.663 0.226 1.00 12.22 O ATOM 812 CB ASP A 57 -6.266 -3.514 -2.484 1.00 74.43 C ATOM 813 CG ASP A 57 -7.377 -3.679 -3.510 1.00 2.44 C ATOM 814 OD1 ASP A 57 -7.986 -4.793 -3.600 1.00 23.55 O ATOM 815 OD2 ASP A 57 -7.679 -2.694 -4.220 1.00 24.22 O ATOM 0 H ASP A 57 -7.687 -4.044 -0.310 1.00 11.45 H new ATOM 0 HA ASP A 57 -6.391 -5.628 -2.267 1.00 42.03 H new ATOM 0 HB2 ASP A 57 -6.459 -2.640 -1.861 1.00 74.43 H new ATOM 0 HB3 ASP A 57 -5.315 -3.343 -2.988 1.00 74.43 H new ATOM 820 N ARG A 58 -3.819 -5.145 -1.821 1.00 13.42 N ATOM 821 CA ARG A 58 -2.503 -5.373 -1.325 1.00 54.01 C ATOM 822 C ARG A 58 -1.569 -4.471 -2.063 1.00 44.40 C ATOM 823 O ARG A 58 -1.813 -4.109 -3.202 1.00 34.02 O ATOM 824 CB ARG A 58 -2.037 -6.835 -1.513 1.00 52.35 C ATOM 825 CG ARG A 58 -2.271 -7.387 -2.928 1.00 3.31 C ATOM 826 CD ARG A 58 -1.854 -8.849 -3.083 1.00 63.03 C ATOM 827 NE ARG A 58 -0.397 -8.943 -2.694 1.00 74.42 N ATOM 828 CZ ARG A 58 0.617 -9.205 -3.622 1.00 64.32 C ATOM 829 NH1 ARG A 58 0.340 -9.456 -4.933 1.00 22.43 N ATOM 830 NH2 ARG A 58 1.913 -9.209 -3.208 1.00 32.53 N ATOM 0 H ARG A 58 -3.916 -5.233 -2.833 1.00 13.42 H new ATOM 0 HA ARG A 58 -2.506 -5.171 -0.254 1.00 54.01 H new ATOM 0 HB2 ARG A 58 -0.974 -6.900 -1.280 1.00 52.35 H new ATOM 0 HB3 ARG A 58 -2.560 -7.468 -0.796 1.00 52.35 H new ATOM 0 HG2 ARG A 58 -3.327 -7.289 -3.179 1.00 3.31 H new ATOM 0 HG3 ARG A 58 -1.716 -6.780 -3.644 1.00 3.31 H new ATOM 0 HD2 ARG A 58 -2.464 -9.492 -2.448 1.00 63.03 H new ATOM 0 HD3 ARG A 58 -2.000 -9.184 -4.110 1.00 63.03 H new ATOM 0 HE ARG A 58 -0.142 -8.810 -1.715 1.00 74.42 H new ATOM 0 HH11 ARG A 58 -0.626 -9.456 -5.259 1.00 22.43 H new ATOM 0 HH12 ARG A 58 1.099 -9.644 -5.588 1.00 22.43 H new ATOM 0 HH21 ARG A 58 2.137 -9.022 -2.230 1.00 32.53 H new ATOM 0 HH22 ARG A 58 2.661 -9.399 -3.875 1.00 32.53 H new ATOM 844 N VAL A 59 -0.475 -4.084 -1.382 1.00 61.12 N ATOM 845 CA VAL A 59 0.518 -3.221 -1.946 1.00 3.40 C ATOM 846 C VAL A 59 1.593 -4.128 -2.473 1.00 31.33 C ATOM 847 O VAL A 59 1.926 -5.151 -1.850 1.00 1.53 O ATOM 848 CB VAL A 59 1.123 -2.256 -0.921 1.00 5.42 C ATOM 849 CG1 VAL A 59 2.112 -1.296 -1.627 1.00 55.51 C ATOM 850 CG2 VAL A 59 -0.040 -1.506 -0.229 1.00 21.04 C ATOM 0 H VAL A 59 -0.276 -4.375 -0.425 1.00 61.12 H new ATOM 0 HA VAL A 59 0.067 -2.596 -2.717 1.00 3.40 H new ATOM 0 HB VAL A 59 1.693 -2.789 -0.160 1.00 5.42 H new ATOM 0 HG11 VAL A 59 2.540 -0.611 -0.895 1.00 55.51 H new ATOM 0 HG12 VAL A 59 2.910 -1.874 -2.093 1.00 55.51 H new ATOM 0 HG13 VAL A 59 1.583 -0.726 -2.391 1.00 55.51 H new ATOM 0 HG21 VAL A 59 0.363 -0.811 0.508 1.00 21.04 H new ATOM 0 HG22 VAL A 59 -0.612 -0.954 -0.975 1.00 21.04 H new ATOM 0 HG23 VAL A 59 -0.691 -2.225 0.269 1.00 21.04 H new ATOM 860 N LEU A 60 2.119 -3.791 -3.652 1.00 53.43 N ATOM 861 CA LEU A 60 3.144 -4.591 -4.286 1.00 74.44 C ATOM 862 C LEU A 60 4.443 -3.896 -4.057 1.00 25.51 C ATOM 863 O LEU A 60 5.372 -4.461 -3.475 1.00 51.04 O ATOM 864 CB LEU A 60 2.962 -4.636 -5.815 1.00 71.42 C ATOM 865 CG LEU A 60 1.695 -5.358 -6.274 1.00 42.32 C ATOM 866 CD1 LEU A 60 1.246 -4.866 -7.627 1.00 52.50 C ATOM 867 CD2 LEU A 60 1.822 -6.882 -6.228 1.00 74.35 C ATOM 0 H LEU A 60 1.844 -2.964 -4.181 1.00 53.43 H new ATOM 0 HA LEU A 60 3.099 -5.600 -3.877 1.00 74.44 H new ATOM 0 HB2 LEU A 60 2.944 -3.616 -6.198 1.00 71.42 H new ATOM 0 HB3 LEU A 60 3.828 -5.128 -6.258 1.00 71.42 H new ATOM 0 HG LEU A 60 0.916 -5.107 -5.554 1.00 42.32 H new ATOM 0 HD11 LEU A 60 0.343 -5.398 -7.926 1.00 52.50 H new ATOM 0 HD12 LEU A 60 1.037 -3.797 -7.575 1.00 52.50 H new ATOM 0 HD13 LEU A 60 2.033 -5.046 -8.359 1.00 52.50 H new ATOM 0 HD21 LEU A 60 0.890 -7.335 -6.566 1.00 74.35 H new ATOM 0 HD22 LEU A 60 2.636 -7.199 -6.879 1.00 74.35 H new ATOM 0 HD23 LEU A 60 2.030 -7.199 -5.206 1.00 74.35 H new ATOM 879 N ALA A 61 4.550 -2.642 -4.536 1.00 61.54 N ATOM 880 CA ALA A 61 5.783 -1.915 -4.422 1.00 4.11 C ATOM 881 C ALA A 61 5.423 -0.567 -3.957 1.00 55.31 C ATOM 882 O ALA A 61 4.341 -0.082 -4.261 1.00 25.14 O ATOM 883 CB ALA A 61 6.519 -1.744 -5.774 1.00 50.42 C ATOM 0 H ALA A 61 3.795 -2.135 -4.997 1.00 61.54 H new ATOM 0 HA ALA A 61 6.445 -2.464 -3.752 1.00 4.11 H new ATOM 0 HB1 ALA A 61 7.442 -1.186 -5.618 1.00 50.42 H new ATOM 0 HB2 ALA A 61 6.753 -2.725 -6.187 1.00 50.42 H new ATOM 0 HB3 ALA A 61 5.880 -1.200 -6.470 1.00 50.42 H new ATOM 889 N VAL A 62 6.336 0.080 -3.213 1.00 14.00 N ATOM 890 CA VAL A 62 6.120 1.427 -2.771 1.00 21.15 C ATOM 891 C VAL A 62 7.251 2.210 -3.350 1.00 21.23 C ATOM 892 O VAL A 62 8.409 1.924 -3.082 1.00 75.11 O ATOM 893 CB VAL A 62 6.135 1.595 -1.253 1.00 60.24 C ATOM 894 CG1 VAL A 62 5.976 3.098 -0.901 1.00 22.34 C ATOM 895 CG2 VAL A 62 5.014 0.718 -0.661 1.00 2.31 C ATOM 0 H VAL A 62 7.223 -0.326 -2.916 1.00 14.00 H new ATOM 0 HA VAL A 62 5.131 1.755 -3.092 1.00 21.15 H new ATOM 0 HB VAL A 62 7.081 1.269 -0.821 1.00 60.24 H new ATOM 0 HG11 VAL A 62 5.986 3.221 0.182 1.00 22.34 H new ATOM 0 HG12 VAL A 62 6.799 3.663 -1.338 1.00 22.34 H new ATOM 0 HG13 VAL A 62 5.031 3.467 -1.299 1.00 22.34 H new ATOM 0 HG21 VAL A 62 5.005 0.822 0.424 1.00 2.31 H new ATOM 0 HG22 VAL A 62 4.052 1.036 -1.064 1.00 2.31 H new ATOM 0 HG23 VAL A 62 5.191 -0.325 -0.924 1.00 2.31 H new ATOM 905 N ASN A 63 6.902 3.216 -4.175 1.00 75.44 N ATOM 906 CA ASN A 63 7.866 4.128 -4.818 1.00 72.10 C ATOM 907 C ASN A 63 8.950 3.322 -5.534 1.00 32.13 C ATOM 908 O ASN A 63 10.116 3.717 -5.598 1.00 70.53 O ATOM 909 CB ASN A 63 8.508 5.157 -3.836 1.00 35.33 C ATOM 910 CG ASN A 63 9.262 6.238 -4.632 1.00 74.23 C ATOM 911 OD1 ASN A 63 8.758 6.762 -5.633 1.00 73.54 O ATOM 912 ND2 ASN A 63 10.477 6.587 -4.182 1.00 5.45 N ATOM 0 H ASN A 63 5.932 3.420 -4.416 1.00 75.44 H new ATOM 0 HA ASN A 63 7.301 4.717 -5.541 1.00 72.10 H new ATOM 0 HB2 ASN A 63 7.735 5.618 -3.221 1.00 35.33 H new ATOM 0 HB3 ASN A 63 9.193 4.648 -3.158 1.00 35.33 H new ATOM 0 HD21 ASN A 63 11.014 7.304 -4.669 1.00 5.45 H new ATOM 0 HD22 ASN A 63 10.863 6.135 -3.353 1.00 5.45 H new ATOM 919 N GLY A 64 8.551 2.181 -6.114 1.00 0.13 N ATOM 920 CA GLY A 64 9.419 1.425 -6.980 1.00 21.22 C ATOM 921 C GLY A 64 9.937 0.274 -6.219 1.00 21.44 C ATOM 922 O GLY A 64 10.249 -0.775 -6.790 1.00 44.14 O ATOM 0 H GLY A 64 7.625 1.773 -5.988 1.00 0.13 H new ATOM 0 HA2 GLY A 64 8.875 1.085 -7.861 1.00 21.22 H new ATOM 0 HA3 GLY A 64 10.240 2.048 -7.334 1.00 21.22 H new ATOM 926 N VAL A 65 10.069 0.426 -4.895 1.00 54.03 N ATOM 927 CA VAL A 65 10.703 -0.536 -4.108 1.00 72.23 C ATOM 928 C VAL A 65 9.783 -1.722 -3.974 1.00 35.11 C ATOM 929 O VAL A 65 8.709 -1.614 -3.380 1.00 10.24 O ATOM 930 CB VAL A 65 10.979 0.018 -2.723 1.00 62.14 C ATOM 931 CG1 VAL A 65 11.739 -1.014 -1.936 1.00 64.12 C ATOM 932 CG2 VAL A 65 11.743 1.353 -2.865 1.00 3.11 C ATOM 0 H VAL A 65 9.725 1.235 -4.377 1.00 54.03 H new ATOM 0 HA VAL A 65 11.645 -0.822 -4.575 1.00 72.23 H new ATOM 0 HB VAL A 65 10.057 0.229 -2.180 1.00 62.14 H new ATOM 0 HG11 VAL A 65 11.945 -0.630 -0.937 1.00 64.12 H new ATOM 0 HG12 VAL A 65 11.144 -1.924 -1.860 1.00 64.12 H new ATOM 0 HG13 VAL A 65 12.679 -1.237 -2.440 1.00 64.12 H new ATOM 0 HG21 VAL A 65 11.948 1.762 -1.876 1.00 3.11 H new ATOM 0 HG22 VAL A 65 12.684 1.180 -3.388 1.00 3.11 H new ATOM 0 HG23 VAL A 65 11.137 2.060 -3.432 1.00 3.11 H new ATOM 942 N SER A 66 10.215 -2.896 -4.533 1.00 34.42 N ATOM 943 CA SER A 66 9.505 -4.157 -4.349 1.00 31.40 C ATOM 944 C SER A 66 9.377 -4.384 -2.863 1.00 13.32 C ATOM 945 O SER A 66 10.376 -4.442 -2.143 1.00 43.30 O ATOM 946 CB SER A 66 10.221 -5.373 -4.986 1.00 31.32 C ATOM 947 OG SER A 66 10.501 -5.108 -6.368 1.00 14.22 O ATOM 0 H SER A 66 11.053 -2.971 -5.110 1.00 34.42 H new ATOM 0 HA SER A 66 8.540 -4.077 -4.849 1.00 31.40 H new ATOM 0 HB2 SER A 66 11.148 -5.581 -4.452 1.00 31.32 H new ATOM 0 HB3 SER A 66 9.596 -6.261 -4.897 1.00 31.32 H new ATOM 0 HG SER A 66 10.955 -5.881 -6.764 1.00 14.22 H new ATOM 953 N LEU A 67 8.130 -4.384 -2.380 1.00 4.33 N ATOM 954 CA LEU A 67 7.867 -4.272 -0.971 1.00 1.51 C ATOM 955 C LEU A 67 7.561 -5.645 -0.490 1.00 41.31 C ATOM 956 O LEU A 67 7.594 -5.929 0.668 1.00 71.41 O ATOM 957 CB LEU A 67 6.635 -3.352 -0.739 1.00 11.13 C ATOM 958 CG LEU A 67 6.490 -2.708 0.645 1.00 24.13 C ATOM 959 CD1 LEU A 67 5.788 -3.608 1.652 1.00 61.42 C ATOM 960 CD2 LEU A 67 7.789 -2.065 1.172 1.00 63.30 C ATOM 0 H LEU A 67 7.294 -4.461 -2.960 1.00 4.33 H new ATOM 0 HA LEU A 67 8.718 -3.844 -0.441 1.00 1.51 H new ATOM 0 HB2 LEU A 67 6.665 -2.554 -1.481 1.00 11.13 H new ATOM 0 HB3 LEU A 67 5.736 -3.936 -0.935 1.00 11.13 H new ATOM 0 HG LEU A 67 5.815 -1.864 0.502 1.00 24.13 H new ATOM 0 HD11 LEU A 67 5.717 -3.095 2.611 1.00 61.42 H new ATOM 0 HD12 LEU A 67 4.787 -3.845 1.292 1.00 61.42 H new ATOM 0 HD13 LEU A 67 6.357 -4.529 1.775 1.00 61.42 H new ATOM 0 HD21 LEU A 67 7.607 -1.631 2.155 1.00 63.30 H new ATOM 0 HD22 LEU A 67 8.566 -2.825 1.249 1.00 63.30 H new ATOM 0 HD23 LEU A 67 8.113 -1.284 0.485 1.00 63.30 H new ATOM 972 N GLU A 68 7.284 -6.551 -1.422 1.00 74.45 N ATOM 973 CA GLU A 68 7.002 -7.913 -1.068 1.00 75.22 C ATOM 974 C GLU A 68 8.238 -8.507 -0.415 1.00 4.34 C ATOM 975 O GLU A 68 9.348 -8.402 -0.945 1.00 32.11 O ATOM 976 CB GLU A 68 6.638 -8.768 -2.274 1.00 55.23 C ATOM 977 CG GLU A 68 5.369 -8.285 -2.987 1.00 41.34 C ATOM 978 CD GLU A 68 5.054 -9.244 -4.109 1.00 41.20 C ATOM 979 OE1 GLU A 68 5.811 -10.228 -4.304 1.00 73.51 O ATOM 980 OE2 GLU A 68 4.044 -9.041 -4.786 1.00 54.41 O ATOM 0 H GLU A 68 7.252 -6.355 -2.422 1.00 74.45 H new ATOM 0 HA GLU A 68 6.147 -7.909 -0.393 1.00 75.22 H new ATOM 0 HB2 GLU A 68 7.469 -8.764 -2.980 1.00 55.23 H new ATOM 0 HB3 GLU A 68 6.497 -9.800 -1.952 1.00 55.23 H new ATOM 0 HG2 GLU A 68 4.536 -8.236 -2.286 1.00 41.34 H new ATOM 0 HG3 GLU A 68 5.515 -7.278 -3.379 1.00 41.34 H new ATOM 987 N GLY A 69 8.050 -9.110 0.764 1.00 54.11 N ATOM 988 CA GLY A 69 9.150 -9.687 1.510 1.00 35.44 C ATOM 989 C GLY A 69 9.536 -8.715 2.583 1.00 11.41 C ATOM 990 O GLY A 69 10.215 -9.080 3.548 1.00 23.21 O ATOM 0 H GLY A 69 7.140 -9.206 1.215 1.00 54.11 H new ATOM 0 HA2 GLY A 69 8.856 -10.641 1.947 1.00 35.44 H new ATOM 0 HA3 GLY A 69 9.996 -9.885 0.852 1.00 35.44 H new ATOM 994 N ALA A 70 9.101 -7.439 2.449 1.00 54.53 N ATOM 995 CA ALA A 70 9.371 -6.451 3.466 1.00 13.43 C ATOM 996 C ALA A 70 8.349 -6.677 4.523 1.00 14.33 C ATOM 997 O ALA A 70 7.282 -7.215 4.255 1.00 75.43 O ATOM 998 CB ALA A 70 9.252 -4.984 2.984 1.00 10.50 C ATOM 0 H ALA A 70 8.570 -7.094 1.649 1.00 54.53 H new ATOM 0 HA ALA A 70 10.403 -6.571 3.797 1.00 13.43 H new ATOM 0 HB1 ALA A 70 9.471 -4.310 3.812 1.00 10.50 H new ATOM 0 HB2 ALA A 70 9.961 -4.808 2.175 1.00 10.50 H new ATOM 0 HB3 ALA A 70 8.239 -4.800 2.625 1.00 10.50 H new ATOM 1004 N THR A 71 8.681 -6.333 5.762 1.00 62.22 N ATOM 1005 CA THR A 71 7.818 -6.666 6.858 1.00 73.33 C ATOM 1006 C THR A 71 6.665 -5.667 6.907 1.00 73.41 C ATOM 1007 O THR A 71 6.610 -4.724 6.122 1.00 61.24 O ATOM 1008 CB THR A 71 8.555 -6.719 8.198 1.00 52.13 C ATOM 1009 OG1 THR A 71 8.973 -5.406 8.632 1.00 53.34 O ATOM 1010 CG2 THR A 71 9.813 -7.596 8.024 1.00 73.02 C ATOM 0 H THR A 71 9.531 -5.831 6.017 1.00 62.22 H new ATOM 0 HA THR A 71 7.431 -7.671 6.689 1.00 73.33 H new ATOM 0 HB THR A 71 7.877 -7.128 8.947 1.00 52.13 H new ATOM 0 HG1 THR A 71 9.438 -5.478 9.491 1.00 53.34 H new ATOM 0 HG21 THR A 71 10.354 -7.647 8.969 1.00 73.02 H new ATOM 0 HG22 THR A 71 9.517 -8.600 7.720 1.00 73.02 H new ATOM 0 HG23 THR A 71 10.457 -7.161 7.260 1.00 73.02 H new ATOM 1018 N HIS A 72 5.707 -5.882 7.843 1.00 65.43 N ATOM 1019 CA HIS A 72 4.574 -4.999 7.952 1.00 43.34 C ATOM 1020 C HIS A 72 5.044 -3.673 8.497 1.00 43.00 C ATOM 1021 O HIS A 72 4.629 -2.640 8.023 1.00 32.43 O ATOM 1022 CB HIS A 72 3.364 -5.547 8.757 1.00 53.43 C ATOM 1023 CG HIS A 72 3.655 -6.088 10.130 1.00 75.43 C ATOM 1024 ND1 HIS A 72 3.752 -5.294 11.242 1.00 32.21 N ATOM 1025 CD2 HIS A 72 3.759 -7.369 10.543 1.00 61.52 C ATOM 1026 CE1 HIS A 72 3.916 -6.082 12.299 1.00 2.14 C ATOM 1027 NE2 HIS A 72 3.919 -7.346 11.892 1.00 54.23 N ATOM 0 H HIS A 72 5.716 -6.652 8.512 1.00 65.43 H new ATOM 0 HA HIS A 72 4.174 -4.890 6.944 1.00 43.34 H new ATOM 0 HB2 HIS A 72 2.630 -4.747 8.855 1.00 53.43 H new ATOM 0 HB3 HIS A 72 2.896 -6.339 8.172 1.00 53.43 H new ATOM 0 HD2 HIS A 72 3.722 -8.249 9.917 1.00 61.52 H new ATOM 0 HE1 HIS A 72 4.028 -5.750 13.320 1.00 2.14 H new ATOM 0 HE2 HIS A 72 4.024 -8.164 12.492 1.00 54.23 H new ATOM 1036 N LYS A 73 5.957 -3.666 9.499 1.00 73.12 N ATOM 1037 CA LYS A 73 6.558 -2.405 9.952 1.00 72.31 C ATOM 1038 C LYS A 73 7.277 -1.702 8.794 1.00 13.14 C ATOM 1039 O LYS A 73 7.000 -0.549 8.503 1.00 51.44 O ATOM 1040 CB LYS A 73 7.543 -2.590 11.125 1.00 23.05 C ATOM 1041 CG LYS A 73 6.843 -3.114 12.396 1.00 64.32 C ATOM 1042 CD LYS A 73 7.702 -3.067 13.666 1.00 60.04 C ATOM 1043 CE LYS A 73 8.958 -3.955 13.613 1.00 64.42 C ATOM 1044 NZ LYS A 73 9.670 -3.913 14.900 1.00 44.02 N ATOM 0 H LYS A 73 6.281 -4.498 9.992 1.00 73.12 H new ATOM 0 HA LYS A 73 5.733 -1.790 10.311 1.00 72.31 H new ATOM 0 HB2 LYS A 73 8.328 -3.286 10.831 1.00 23.05 H new ATOM 0 HB3 LYS A 73 8.027 -1.638 11.345 1.00 23.05 H new ATOM 0 HG2 LYS A 73 5.939 -2.529 12.564 1.00 64.32 H new ATOM 0 HG3 LYS A 73 6.530 -4.144 12.224 1.00 64.32 H new ATOM 0 HD2 LYS A 73 8.007 -2.036 13.846 1.00 60.04 H new ATOM 0 HD3 LYS A 73 7.091 -3.372 14.516 1.00 60.04 H new ATOM 0 HE2 LYS A 73 8.676 -4.982 13.380 1.00 64.42 H new ATOM 0 HE3 LYS A 73 9.617 -3.616 12.814 1.00 64.42 H new ATOM 0 HZ1 LYS A 73 10.515 -4.517 14.849 1.00 44.02 H new ATOM 0 HZ2 LYS A 73 9.955 -2.935 15.107 1.00 44.02 H new ATOM 0 HZ3 LYS A 73 9.043 -4.258 15.655 1.00 44.02 H new ATOM 1058 N GLN A 74 8.211 -2.395 8.111 1.00 33.42 N ATOM 1059 CA GLN A 74 8.936 -1.798 6.984 1.00 34.10 C ATOM 1060 C GLN A 74 7.981 -1.285 5.925 1.00 64.02 C ATOM 1061 O GLN A 74 8.244 -0.259 5.312 1.00 24.42 O ATOM 1062 CB GLN A 74 9.887 -2.782 6.348 1.00 22.41 C ATOM 1063 CG GLN A 74 11.021 -3.137 7.293 1.00 63.01 C ATOM 1064 CD GLN A 74 12.023 -1.975 7.278 1.00 42.41 C ATOM 1065 OE1 GLN A 74 12.777 -1.800 6.308 1.00 64.51 O ATOM 1066 NE2 GLN A 74 12.033 -1.148 8.343 1.00 3.04 N ATOM 0 H GLN A 74 8.475 -3.358 8.321 1.00 33.42 H new ATOM 0 HA GLN A 74 9.508 -0.964 7.391 1.00 34.10 H new ATOM 0 HB2 GLN A 74 9.346 -3.686 6.069 1.00 22.41 H new ATOM 0 HB3 GLN A 74 10.294 -2.358 5.430 1.00 22.41 H new ATOM 0 HG2 GLN A 74 10.641 -3.301 8.301 1.00 63.01 H new ATOM 0 HG3 GLN A 74 11.504 -4.063 6.980 1.00 63.01 H new ATOM 0 HE21 GLN A 74 11.401 -1.317 9.126 1.00 3.04 H new ATOM 0 HE22 GLN A 74 12.672 -0.353 8.366 1.00 3.04 H new ATOM 1075 N ALA A 75 6.850 -1.978 5.718 1.00 24.12 N ATOM 1076 CA ALA A 75 5.833 -1.531 4.778 1.00 73.02 C ATOM 1077 C ALA A 75 5.457 -0.089 5.022 1.00 22.41 C ATOM 1078 O ALA A 75 5.473 0.729 4.098 1.00 30.30 O ATOM 1079 CB ALA A 75 4.557 -2.319 4.898 1.00 45.21 C ATOM 0 H ALA A 75 6.625 -2.851 6.195 1.00 24.12 H new ATOM 0 HA ALA A 75 6.276 -1.669 3.792 1.00 73.02 H new ATOM 0 HB1 ALA A 75 3.830 -1.947 4.176 1.00 45.21 H new ATOM 0 HB2 ALA A 75 4.759 -3.372 4.700 1.00 45.21 H new ATOM 0 HB3 ALA A 75 4.156 -2.210 5.905 1.00 45.21 H new ATOM 1085 N VAL A 76 5.103 0.254 6.276 1.00 65.40 N ATOM 1086 CA VAL A 76 4.637 1.592 6.551 1.00 52.42 C ATOM 1087 C VAL A 76 5.827 2.519 6.540 1.00 13.45 C ATOM 1088 O VAL A 76 5.709 3.647 6.108 1.00 74.50 O ATOM 1089 CB VAL A 76 3.829 1.758 7.830 1.00 45.14 C ATOM 1090 CG1 VAL A 76 2.430 1.176 7.576 1.00 4.24 C ATOM 1091 CG2 VAL A 76 4.547 1.076 8.997 1.00 63.51 C ATOM 0 H VAL A 76 5.135 -0.370 7.082 1.00 65.40 H new ATOM 0 HA VAL A 76 3.925 1.841 5.764 1.00 52.42 H new ATOM 0 HB VAL A 76 3.728 2.808 8.104 1.00 45.14 H new ATOM 0 HG11 VAL A 76 1.824 1.280 8.476 1.00 4.24 H new ATOM 0 HG12 VAL A 76 1.956 1.714 6.755 1.00 4.24 H new ATOM 0 HG13 VAL A 76 2.517 0.121 7.316 1.00 4.24 H new ATOM 0 HG21 VAL A 76 3.961 1.200 9.908 1.00 63.51 H new ATOM 0 HG22 VAL A 76 4.663 0.014 8.782 1.00 63.51 H new ATOM 0 HG23 VAL A 76 5.530 1.528 9.134 1.00 63.51 H new ATOM 1101 N CYS A 77 7.032 2.035 7.019 1.00 12.43 N ATOM 1102 CA CYS A 77 8.242 2.952 7.046 1.00 14.30 C ATOM 1103 C CYS A 77 8.430 3.448 5.582 1.00 32.24 C ATOM 1104 O CYS A 77 8.928 4.497 5.297 1.00 72.03 O ATOM 1105 CB CYS A 77 9.544 2.188 7.472 1.00 5.44 C ATOM 1106 SG CYS A 77 11.098 3.160 7.279 1.00 33.32 S ATOM 0 H CYS A 77 7.189 1.089 7.367 1.00 12.43 H new ATOM 0 HA CYS A 77 8.081 3.758 7.762 1.00 14.30 H new ATOM 0 HB2 CYS A 77 9.447 1.884 8.514 1.00 5.44 H new ATOM 0 HB3 CYS A 77 9.625 1.276 6.881 1.00 5.44 H new ATOM 1111 N THR A 78 8.218 2.511 4.628 1.00 24.41 N ATOM 1112 CA THR A 78 8.485 2.784 3.232 1.00 13.01 C ATOM 1113 C THR A 78 7.459 3.788 2.743 1.00 4.42 C ATOM 1114 O THR A 78 7.794 4.710 2.021 1.00 75.23 O ATOM 1115 CB THR A 78 8.441 1.524 2.373 1.00 3.11 C ATOM 1116 OG1 THR A 78 9.235 0.497 2.982 1.00 44.51 O ATOM 1117 CG2 THR A 78 9.035 1.843 0.982 1.00 43.43 C ATOM 0 H THR A 78 7.865 1.573 4.816 1.00 24.41 H new ATOM 0 HA THR A 78 9.495 3.184 3.142 1.00 13.01 H new ATOM 0 HB THR A 78 7.409 1.187 2.279 1.00 3.11 H new ATOM 0 HG1 THR A 78 8.700 0.025 3.654 1.00 44.51 H new ATOM 0 HG21 THR A 78 9.008 0.948 0.361 1.00 43.43 H new ATOM 0 HG22 THR A 78 8.450 2.631 0.509 1.00 43.43 H new ATOM 0 HG23 THR A 78 10.067 2.175 1.095 1.00 43.43 H new ATOM 1125 N LEU A 79 6.189 3.624 3.182 1.00 50.23 N ATOM 1126 CA LEU A 79 5.114 4.563 2.842 1.00 4.13 C ATOM 1127 C LEU A 79 5.407 5.925 3.454 1.00 73.32 C ATOM 1128 O LEU A 79 4.995 6.937 2.913 1.00 32.13 O ATOM 1129 CB LEU A 79 3.716 4.113 3.343 1.00 54.54 C ATOM 1130 CG LEU A 79 3.129 2.911 2.571 1.00 12.32 C ATOM 1131 CD1 LEU A 79 1.868 2.342 3.254 1.00 20.23 C ATOM 1132 CD2 LEU A 79 2.884 3.233 1.075 1.00 5.21 C ATOM 0 H LEU A 79 5.892 2.847 3.772 1.00 50.23 H new ATOM 0 HA LEU A 79 5.086 4.603 1.753 1.00 4.13 H new ATOM 0 HB2 LEU A 79 3.786 3.854 4.399 1.00 54.54 H new ATOM 0 HB3 LEU A 79 3.026 4.953 3.266 1.00 54.54 H new ATOM 0 HG LEU A 79 3.885 2.127 2.600 1.00 12.32 H new ATOM 0 HD11 LEU A 79 1.490 1.499 2.676 1.00 20.23 H new ATOM 0 HD12 LEU A 79 2.119 2.008 4.261 1.00 20.23 H new ATOM 0 HD13 LEU A 79 1.103 3.116 3.308 1.00 20.23 H new ATOM 0 HD21 LEU A 79 2.471 2.356 0.577 1.00 5.21 H new ATOM 0 HD22 LEU A 79 2.181 4.062 0.992 1.00 5.21 H new ATOM 0 HD23 LEU A 79 3.827 3.508 0.603 1.00 5.21 H new ATOM 1144 N ARG A 80 6.109 5.967 4.609 1.00 45.32 N ATOM 1145 CA ARG A 80 6.441 7.244 5.240 1.00 71.00 C ATOM 1146 C ARG A 80 7.507 7.924 4.415 1.00 62.42 C ATOM 1147 O ARG A 80 7.318 9.053 3.990 1.00 54.52 O ATOM 1148 CB ARG A 80 6.970 7.115 6.697 1.00 74.35 C ATOM 1149 CG ARG A 80 5.906 6.642 7.706 1.00 60.34 C ATOM 1150 CD ARG A 80 4.727 7.627 7.864 1.00 5.13 C ATOM 1151 NE ARG A 80 3.751 7.041 8.857 1.00 11.24 N ATOM 1152 CZ ARG A 80 3.532 7.602 10.113 1.00 20.21 C ATOM 1153 NH1 ARG A 80 4.239 8.697 10.541 1.00 61.42 N ATOM 1154 NH2 ARG A 80 2.600 7.047 10.932 1.00 43.01 N ATOM 0 H ARG A 80 6.447 5.144 5.107 1.00 45.32 H new ATOM 0 HA ARG A 80 5.514 7.816 5.287 1.00 71.00 H new ATOM 0 HB2 ARG A 80 7.805 6.415 6.709 1.00 74.35 H new ATOM 0 HB3 ARG A 80 7.359 8.081 7.019 1.00 74.35 H new ATOM 0 HG2 ARG A 80 5.520 5.674 7.388 1.00 60.34 H new ATOM 0 HG3 ARG A 80 6.378 6.494 8.677 1.00 60.34 H new ATOM 0 HD2 ARG A 80 5.086 8.596 8.210 1.00 5.13 H new ATOM 0 HD3 ARG A 80 4.239 7.792 6.904 1.00 5.13 H new ATOM 0 HE ARG A 80 3.232 6.202 8.598 1.00 11.24 H new ATOM 0 HH11 ARG A 80 4.943 9.118 9.935 1.00 61.42 H new ATOM 0 HH12 ARG A 80 4.061 9.090 11.465 1.00 61.42 H new ATOM 0 HH21 ARG A 80 2.072 6.231 10.624 1.00 43.01 H new ATOM 0 HH22 ARG A 80 2.429 7.447 11.855 1.00 43.01 H new ATOM 1168 N ASN A 81 8.674 7.240 4.216 1.00 20.53 N ATOM 1169 CA ASN A 81 9.842 7.819 3.473 1.00 71.44 C ATOM 1170 C ASN A 81 9.550 7.978 1.987 1.00 72.51 C ATOM 1171 O ASN A 81 10.366 7.600 1.135 1.00 52.31 O ATOM 1172 CB ASN A 81 11.143 6.977 3.595 1.00 0.33 C ATOM 1173 CG ASN A 81 11.612 7.004 5.041 1.00 13.01 C ATOM 1174 OD1 ASN A 81 11.324 7.954 5.784 1.00 24.30 O ATOM 1175 ND2 ASN A 81 12.349 5.959 5.461 1.00 24.02 N ATOM 0 H ASN A 81 8.832 6.292 4.557 1.00 20.53 H new ATOM 0 HA ASN A 81 9.999 8.788 3.947 1.00 71.44 H new ATOM 0 HB2 ASN A 81 10.959 5.951 3.277 1.00 0.33 H new ATOM 0 HB3 ASN A 81 11.916 7.380 2.940 1.00 0.33 H new ATOM 0 HD21 ASN A 81 12.692 5.930 6.421 1.00 24.02 H new ATOM 0 HD22 ASN A 81 12.565 5.196 4.819 1.00 24.02 H new ATOM 1182 N THR A 82 8.414 8.551 1.659 1.00 13.25 N ATOM 1183 CA THR A 82 8.044 8.876 0.324 1.00 22.22 C ATOM 1184 C THR A 82 8.130 10.379 0.217 1.00 4.11 C ATOM 1185 O THR A 82 8.548 11.066 1.170 1.00 72.34 O ATOM 1186 CB THR A 82 6.622 8.442 0.032 1.00 3.31 C ATOM 1187 OG1 THR A 82 5.748 8.911 1.076 1.00 40.15 O ATOM 1188 CG2 THR A 82 6.616 6.910 0.027 1.00 2.04 C ATOM 0 H THR A 82 7.706 8.807 2.347 1.00 13.25 H new ATOM 0 HA THR A 82 8.698 8.370 -0.386 1.00 22.22 H new ATOM 0 HB THR A 82 6.281 8.846 -0.921 1.00 3.31 H new ATOM 0 HG1 THR A 82 5.540 8.172 1.685 1.00 40.15 H new ATOM 0 HG21 THR A 82 5.608 6.551 -0.180 1.00 2.04 H new ATOM 0 HG22 THR A 82 7.296 6.546 -0.743 1.00 2.04 H new ATOM 0 HG23 THR A 82 6.940 6.542 1.001 1.00 2.04 H new ATOM 1196 N GLY A 83 7.729 10.907 -0.948 1.00 52.20 N ATOM 1197 CA GLY A 83 7.666 12.323 -1.152 1.00 42.32 C ATOM 1198 C GLY A 83 6.249 12.733 -0.861 1.00 11.02 C ATOM 1199 O GLY A 83 5.550 12.086 -0.084 1.00 65.33 O ATOM 0 H GLY A 83 7.446 10.353 -1.756 1.00 52.20 H new ATOM 0 HA2 GLY A 83 8.363 12.841 -0.493 1.00 42.32 H new ATOM 0 HA3 GLY A 83 7.942 12.580 -2.175 1.00 42.32 H new ATOM 1203 N GLN A 84 5.816 13.847 -1.488 1.00 30.22 N ATOM 1204 CA GLN A 84 4.517 14.428 -1.228 1.00 25.14 C ATOM 1205 C GLN A 84 3.454 13.469 -1.700 1.00 4.43 C ATOM 1206 O GLN A 84 2.574 13.065 -0.930 1.00 20.31 O ATOM 1207 CB GLN A 84 4.321 15.772 -1.973 1.00 72.41 C ATOM 1208 CG GLN A 84 2.927 16.375 -1.780 1.00 73.13 C ATOM 1209 CD GLN A 84 2.866 17.737 -2.455 1.00 22.10 C ATOM 1210 OE1 GLN A 84 2.432 18.711 -1.851 1.00 54.01 O ATOM 1211 NE2 GLN A 84 3.295 17.825 -3.729 1.00 24.42 N ATOM 0 H GLN A 84 6.366 14.353 -2.182 1.00 30.22 H new ATOM 0 HA GLN A 84 4.444 14.615 -0.157 1.00 25.14 H new ATOM 0 HB2 GLN A 84 5.069 16.485 -1.625 1.00 72.41 H new ATOM 0 HB3 GLN A 84 4.498 15.618 -3.037 1.00 72.41 H new ATOM 0 HG2 GLN A 84 2.171 15.713 -2.203 1.00 73.13 H new ATOM 0 HG3 GLN A 84 2.706 16.474 -0.717 1.00 73.13 H new ATOM 0 HE21 GLN A 84 3.651 16.996 -4.206 1.00 24.42 H new ATOM 0 HE22 GLN A 84 3.264 18.720 -4.217 1.00 24.42 H new ATOM 1220 N VAL A 85 3.522 13.063 -2.970 1.00 75.44 N ATOM 1221 CA VAL A 85 2.595 12.108 -3.489 1.00 52.02 C ATOM 1222 C VAL A 85 3.273 10.791 -3.359 1.00 23.10 C ATOM 1223 O VAL A 85 4.485 10.692 -3.528 1.00 13.54 O ATOM 1224 CB VAL A 85 2.274 12.380 -4.954 1.00 64.33 C ATOM 1225 CG1 VAL A 85 1.428 11.246 -5.560 1.00 13.53 C ATOM 1226 CG2 VAL A 85 1.551 13.725 -5.014 1.00 53.44 C ATOM 0 H VAL A 85 4.216 13.392 -3.642 1.00 75.44 H new ATOM 0 HA VAL A 85 1.649 12.149 -2.949 1.00 52.02 H new ATOM 0 HB VAL A 85 3.187 12.419 -5.548 1.00 64.33 H new ATOM 0 HG11 VAL A 85 1.216 11.469 -6.606 1.00 13.53 H new ATOM 0 HG12 VAL A 85 1.977 10.307 -5.494 1.00 13.53 H new ATOM 0 HG13 VAL A 85 0.491 11.158 -5.010 1.00 13.53 H new ATOM 0 HG21 VAL A 85 1.302 13.958 -6.049 1.00 53.44 H new ATOM 0 HG22 VAL A 85 0.636 13.673 -4.424 1.00 53.44 H new ATOM 0 HG23 VAL A 85 2.198 14.504 -4.612 1.00 53.44 H new ATOM 1236 N VAL A 86 2.506 9.753 -3.029 1.00 32.41 N ATOM 1237 CA VAL A 86 3.037 8.437 -2.895 1.00 54.13 C ATOM 1238 C VAL A 86 2.641 7.730 -4.142 1.00 32.10 C ATOM 1239 O VAL A 86 1.468 7.736 -4.525 1.00 52.43 O ATOM 1240 CB VAL A 86 2.444 7.667 -1.725 1.00 54.21 C ATOM 1241 CG1 VAL A 86 3.130 6.281 -1.616 1.00 62.05 C ATOM 1242 CG2 VAL A 86 2.592 8.532 -0.457 1.00 61.24 C ATOM 0 H VAL A 86 1.504 9.821 -2.852 1.00 32.41 H new ATOM 0 HA VAL A 86 4.112 8.498 -2.724 1.00 54.13 H new ATOM 0 HB VAL A 86 1.382 7.469 -1.866 1.00 54.21 H new ATOM 0 HG11 VAL A 86 2.705 5.730 -0.777 1.00 62.05 H new ATOM 0 HG12 VAL A 86 2.968 5.722 -2.537 1.00 62.05 H new ATOM 0 HG13 VAL A 86 4.200 6.416 -1.456 1.00 62.05 H new ATOM 0 HG21 VAL A 86 2.173 8.000 0.397 1.00 61.24 H new ATOM 0 HG22 VAL A 86 3.648 8.735 -0.276 1.00 61.24 H new ATOM 0 HG23 VAL A 86 2.060 9.473 -0.595 1.00 61.24 H new ATOM 1252 N HIS A 87 3.607 7.119 -4.806 1.00 72.31 N ATOM 1253 CA HIS A 87 3.328 6.332 -5.971 1.00 61.35 C ATOM 1254 C HIS A 87 3.517 4.937 -5.501 1.00 40.41 C ATOM 1255 O HIS A 87 4.546 4.630 -4.910 1.00 4.25 O ATOM 1256 CB HIS A 87 4.324 6.589 -7.140 1.00 11.25 C ATOM 1257 CG HIS A 87 3.871 6.008 -8.459 1.00 61.22 C ATOM 1258 ND1 HIS A 87 3.115 6.720 -9.364 1.00 52.14 N ATOM 1259 CD2 HIS A 87 4.080 4.788 -8.990 1.00 22.15 C ATOM 1260 CE1 HIS A 87 2.872 5.938 -10.409 1.00 43.00 C ATOM 1261 NE2 HIS A 87 3.454 4.763 -10.201 1.00 32.24 N ATOM 0 H HIS A 87 4.593 7.160 -4.548 1.00 72.31 H new ATOM 0 HA HIS A 87 2.337 6.565 -6.361 1.00 61.35 H new ATOM 0 HB2 HIS A 87 4.466 7.663 -7.255 1.00 11.25 H new ATOM 0 HB3 HIS A 87 5.294 6.165 -6.880 1.00 11.25 H new ATOM 0 HD2 HIS A 87 4.639 3.981 -8.541 1.00 22.15 H new ATOM 0 HE1 HIS A 87 2.297 6.212 -11.282 1.00 43.00 H new ATOM 0 HE2 HIS A 87 3.436 3.970 -10.843 1.00 32.24 H new ATOM 1270 N LEU A 88 2.520 4.092 -5.682 1.00 3.44 N ATOM 1271 CA LEU A 88 2.628 2.752 -5.177 1.00 40.15 C ATOM 1272 C LEU A 88 1.708 1.897 -5.944 1.00 72.31 C ATOM 1273 O LEU A 88 0.593 2.292 -6.280 1.00 52.11 O ATOM 1274 CB LEU A 88 2.337 2.591 -3.648 1.00 62.12 C ATOM 1275 CG LEU A 88 0.867 2.824 -3.185 1.00 62.23 C ATOM 1276 CD1 LEU A 88 0.717 2.646 -1.671 1.00 40.02 C ATOM 1277 CD2 LEU A 88 0.261 4.150 -3.661 1.00 22.42 C ATOM 0 H LEU A 88 1.648 4.309 -6.165 1.00 3.44 H new ATOM 0 HA LEU A 88 3.671 2.459 -5.300 1.00 40.15 H new ATOM 0 HB2 LEU A 88 2.632 1.585 -3.350 1.00 62.12 H new ATOM 0 HB3 LEU A 88 2.978 3.285 -3.105 1.00 62.12 H new ATOM 0 HG LEU A 88 0.283 2.047 -3.679 1.00 62.23 H new ATOM 0 HD11 LEU A 88 -0.321 2.816 -1.386 1.00 40.02 H new ATOM 0 HD12 LEU A 88 1.008 1.633 -1.393 1.00 40.02 H new ATOM 0 HD13 LEU A 88 1.357 3.362 -1.155 1.00 40.02 H new ATOM 0 HD21 LEU A 88 -0.763 4.234 -3.296 1.00 22.42 H new ATOM 0 HD22 LEU A 88 0.853 4.980 -3.275 1.00 22.42 H new ATOM 0 HD23 LEU A 88 0.261 4.180 -4.751 1.00 22.42 H new ATOM 1289 N LEU A 89 2.190 0.729 -6.318 1.00 62.30 N ATOM 1290 CA LEU A 89 1.418 -0.213 -7.063 1.00 54.25 C ATOM 1291 C LEU A 89 0.641 -1.037 -6.107 1.00 74.11 C ATOM 1292 O LEU A 89 1.130 -1.405 -5.028 1.00 73.22 O ATOM 1293 CB LEU A 89 2.313 -1.182 -7.877 1.00 43.11 C ATOM 1294 CG LEU A 89 2.846 -0.594 -9.198 1.00 4.53 C ATOM 1295 CD1 LEU A 89 3.405 0.829 -9.052 1.00 71.41 C ATOM 1296 CD2 LEU A 89 3.827 -1.541 -9.906 1.00 71.44 C ATOM 0 H LEU A 89 3.137 0.416 -6.106 1.00 62.30 H new ATOM 0 HA LEU A 89 0.782 0.345 -7.750 1.00 54.25 H new ATOM 0 HB2 LEU A 89 3.159 -1.482 -7.259 1.00 43.11 H new ATOM 0 HB3 LEU A 89 1.744 -2.085 -8.098 1.00 43.11 H new ATOM 0 HG LEU A 89 1.977 -0.499 -9.849 1.00 4.53 H new ATOM 0 HD11 LEU A 89 3.763 1.181 -10.020 1.00 71.41 H new ATOM 0 HD12 LEU A 89 2.619 1.493 -8.692 1.00 71.41 H new ATOM 0 HD13 LEU A 89 4.230 0.824 -8.340 1.00 71.41 H new ATOM 0 HD21 LEU A 89 4.174 -1.081 -10.831 1.00 71.44 H new ATOM 0 HD22 LEU A 89 4.680 -1.734 -9.255 1.00 71.44 H new ATOM 0 HD23 LEU A 89 3.325 -2.481 -10.134 1.00 71.44 H new ATOM 1308 N LEU A 90 -0.576 -1.361 -6.521 1.00 72.50 N ATOM 1309 CA LEU A 90 -1.444 -2.201 -5.739 1.00 21.12 C ATOM 1310 C LEU A 90 -1.726 -3.370 -6.607 1.00 43.32 C ATOM 1311 O LEU A 90 -1.525 -3.314 -7.834 1.00 25.22 O ATOM 1312 CB LEU A 90 -2.861 -1.614 -5.360 1.00 54.20 C ATOM 1313 CG LEU A 90 -3.015 -0.072 -5.255 1.00 2.21 C ATOM 1314 CD1 LEU A 90 -2.255 0.599 -4.104 1.00 12.03 C ATOM 1315 CD2 LEU A 90 -2.816 0.634 -6.587 1.00 45.32 C ATOM 0 H LEU A 90 -0.979 -1.047 -7.404 1.00 72.50 H new ATOM 0 HA LEU A 90 -0.930 -2.379 -4.794 1.00 21.12 H new ATOM 0 HB2 LEU A 90 -3.577 -1.970 -6.101 1.00 54.20 H new ATOM 0 HB3 LEU A 90 -3.153 -2.043 -4.402 1.00 54.20 H new ATOM 0 HG LEU A 90 -4.061 0.059 -4.977 1.00 2.21 H new ATOM 0 HD11 LEU A 90 -2.434 1.674 -4.127 1.00 12.03 H new ATOM 0 HD12 LEU A 90 -2.602 0.194 -3.154 1.00 12.03 H new ATOM 0 HD13 LEU A 90 -1.187 0.407 -4.212 1.00 12.03 H new ATOM 0 HD21 LEU A 90 -2.936 1.709 -6.451 1.00 45.32 H new ATOM 0 HD22 LEU A 90 -1.815 0.425 -6.963 1.00 45.32 H new ATOM 0 HD23 LEU A 90 -3.555 0.275 -7.303 1.00 45.32 H new ATOM 1327 N GLU A 91 -2.258 -4.428 -6.018 1.00 23.34 N ATOM 1328 CA GLU A 91 -2.845 -5.477 -6.773 1.00 4.51 C ATOM 1329 C GLU A 91 -4.137 -5.694 -6.076 1.00 61.33 C ATOM 1330 O GLU A 91 -4.220 -5.519 -4.849 1.00 22.33 O ATOM 1331 CB GLU A 91 -2.054 -6.811 -6.736 1.00 0.20 C ATOM 1332 CG GLU A 91 -2.603 -7.895 -7.679 1.00 72.24 C ATOM 1333 CD GLU A 91 -1.828 -9.159 -7.437 1.00 65.24 C ATOM 1334 OE1 GLU A 91 -1.885 -9.672 -6.304 1.00 55.04 O ATOM 1335 OE2 GLU A 91 -1.175 -9.654 -8.358 1.00 61.23 O ATOM 0 H GLU A 91 -2.286 -4.566 -5.008 1.00 23.34 H new ATOM 0 HA GLU A 91 -2.899 -5.203 -7.826 1.00 4.51 H new ATOM 0 HB2 GLU A 91 -1.014 -6.611 -6.996 1.00 0.20 H new ATOM 0 HB3 GLU A 91 -2.059 -7.196 -5.716 1.00 0.20 H new ATOM 0 HG2 GLU A 91 -3.665 -8.058 -7.494 1.00 72.24 H new ATOM 0 HG3 GLU A 91 -2.505 -7.581 -8.718 1.00 72.24 H new ATOM 1342 N LYS A 92 -5.196 -6.048 -6.827 1.00 25.51 N ATOM 1343 CA LYS A 92 -6.476 -6.308 -6.199 1.00 35.12 C ATOM 1344 C LYS A 92 -6.320 -7.515 -5.319 1.00 62.45 C ATOM 1345 O LYS A 92 -5.765 -8.524 -5.731 1.00 63.55 O ATOM 1346 CB LYS A 92 -7.646 -6.548 -7.184 1.00 72.43 C ATOM 1347 CG LYS A 92 -7.916 -5.342 -8.107 1.00 35.45 C ATOM 1348 CD LYS A 92 -8.240 -4.033 -7.350 1.00 64.44 C ATOM 1349 CE LYS A 92 -9.589 -4.039 -6.614 1.00 44.22 C ATOM 1350 NZ LYS A 92 -9.785 -2.771 -5.886 1.00 54.32 N ATOM 0 H LYS A 92 -5.180 -6.155 -7.841 1.00 25.51 H new ATOM 0 HA LYS A 92 -6.743 -5.410 -5.642 1.00 35.12 H new ATOM 0 HB2 LYS A 92 -7.425 -7.423 -7.795 1.00 72.43 H new ATOM 0 HB3 LYS A 92 -8.549 -6.774 -6.618 1.00 72.43 H new ATOM 0 HG2 LYS A 92 -7.043 -5.178 -8.739 1.00 35.45 H new ATOM 0 HG3 LYS A 92 -8.748 -5.583 -8.769 1.00 35.45 H new ATOM 0 HD2 LYS A 92 -7.447 -3.841 -6.627 1.00 64.44 H new ATOM 0 HD3 LYS A 92 -8.232 -3.206 -8.060 1.00 64.44 H new ATOM 0 HE2 LYS A 92 -10.399 -4.184 -7.328 1.00 44.22 H new ATOM 0 HE3 LYS A 92 -9.626 -4.875 -5.916 1.00 44.22 H new ATOM 0 HZ1 LYS A 92 -10.525 -2.895 -5.166 1.00 54.32 H new ATOM 0 HZ2 LYS A 92 -8.895 -2.495 -5.424 1.00 54.32 H new ATOM 0 HZ3 LYS A 92 -10.074 -2.028 -6.554 1.00 54.32 H new ATOM 1364 N GLY A 93 -6.788 -7.394 -4.072 1.00 72.35 N ATOM 1365 CA GLY A 93 -6.590 -8.445 -3.077 1.00 34.10 C ATOM 1366 C GLY A 93 -7.909 -9.073 -2.847 1.00 40.35 C ATOM 1367 O GLY A 93 -8.097 -9.881 -1.937 1.00 2.43 O ATOM 0 H GLY A 93 -7.303 -6.582 -3.732 1.00 72.35 H new ATOM 0 HA2 GLY A 93 -5.868 -9.181 -3.431 1.00 34.10 H new ATOM 0 HA3 GLY A 93 -6.193 -8.030 -2.151 1.00 34.10 H new ATOM 1371 N GLN A 94 -8.869 -8.718 -3.710 1.00 1.02 N ATOM 1372 CA GLN A 94 -10.182 -9.305 -3.691 1.00 70.31 C ATOM 1373 C GLN A 94 -10.038 -10.753 -4.062 1.00 42.24 C ATOM 1374 O GLN A 94 -10.681 -11.602 -3.475 1.00 32.02 O ATOM 1375 CB GLN A 94 -11.117 -8.647 -4.712 1.00 64.03 C ATOM 1376 CG GLN A 94 -11.332 -7.146 -4.430 1.00 13.14 C ATOM 1377 CD GLN A 94 -12.130 -6.513 -5.571 1.00 34.24 C ATOM 1378 OE1 GLN A 94 -12.216 -5.294 -5.666 1.00 1.23 O ATOM 1379 NE2 GLN A 94 -12.715 -7.338 -6.462 1.00 71.05 N ATOM 0 H GLN A 94 -8.741 -8.013 -4.436 1.00 1.02 H new ATOM 0 HA GLN A 94 -10.610 -9.169 -2.698 1.00 70.31 H new ATOM 0 HB2 GLN A 94 -10.702 -8.770 -5.713 1.00 64.03 H new ATOM 0 HB3 GLN A 94 -12.080 -9.158 -4.701 1.00 64.03 H new ATOM 0 HG2 GLN A 94 -11.863 -7.016 -3.487 1.00 13.14 H new ATOM 0 HG3 GLN A 94 -10.370 -6.645 -4.325 1.00 13.14 H new ATOM 0 HE21 GLN A 94 -12.626 -8.349 -6.356 1.00 71.05 H new ATOM 0 HE22 GLN A 94 -13.247 -6.952 -7.242 1.00 71.05 H new ATOM 1388 N SER A 95 -9.148 -11.033 -5.056 1.00 54.14 N ATOM 1389 CA SER A 95 -8.891 -12.370 -5.575 1.00 22.33 C ATOM 1390 C SER A 95 -8.739 -13.388 -4.431 1.00 62.44 C ATOM 1391 O SER A 95 -7.766 -13.328 -3.644 1.00 33.22 O ATOM 1392 CB SER A 95 -7.578 -12.403 -6.383 1.00 62.11 C ATOM 1393 OG SER A 95 -7.457 -11.210 -7.165 1.00 10.10 O ATOM 0 H SER A 95 -8.590 -10.312 -5.513 1.00 54.14 H new ATOM 0 HA SER A 95 -9.741 -12.628 -6.207 1.00 22.33 H new ATOM 0 HB2 SER A 95 -6.727 -12.493 -5.708 1.00 62.11 H new ATOM 0 HB3 SER A 95 -7.563 -13.278 -7.033 1.00 62.11 H new ATOM 0 HG SER A 95 -6.962 -10.534 -6.656 1.00 10.10 H new ATOM 1399 N PRO A 96 -9.714 -14.326 -4.324 1.00 63.32 N ATOM 1400 CA PRO A 96 -9.644 -15.427 -3.383 1.00 1.04 C ATOM 1401 C PRO A 96 -8.535 -16.339 -3.841 1.00 62.30 C ATOM 1402 O PRO A 96 -8.745 -17.146 -4.747 1.00 33.11 O ATOM 1403 CB PRO A 96 -11.025 -16.106 -3.472 1.00 12.02 C ATOM 1404 CG PRO A 96 -11.548 -15.739 -4.872 1.00 24.40 C ATOM 1405 CD PRO A 96 -10.933 -14.364 -5.145 1.00 31.34 C ATOM 0 HA PRO A 96 -9.432 -15.136 -2.354 1.00 1.04 H new ATOM 0 HB2 PRO A 96 -10.944 -17.186 -3.349 1.00 12.02 H new ATOM 0 HB3 PRO A 96 -11.695 -15.746 -2.691 1.00 12.02 H new ATOM 0 HG2 PRO A 96 -11.239 -16.470 -5.619 1.00 24.40 H new ATOM 0 HG3 PRO A 96 -12.637 -15.701 -4.895 1.00 24.40 H new ATOM 0 HD2 PRO A 96 -10.701 -14.238 -6.203 1.00 31.34 H new ATOM 0 HD3 PRO A 96 -11.619 -13.563 -4.871 1.00 31.34 H new ATOM 1413 N THR A 97 -7.363 -16.214 -3.237 1.00 2.02 N ATOM 1414 CA THR A 97 -6.218 -16.926 -3.675 1.00 70.32 C ATOM 1415 C THR A 97 -5.960 -17.989 -2.593 1.00 22.41 C ATOM 1416 O THR A 97 -5.700 -17.607 -1.435 1.00 34.03 O ATOM 1417 CB THR A 97 -5.030 -15.998 -3.777 1.00 44.32 C ATOM 1418 OG1 THR A 97 -5.408 -14.862 -4.568 1.00 22.10 O ATOM 1419 CG2 THR A 97 -3.846 -16.736 -4.443 1.00 44.30 C ATOM 0 H THR A 97 -7.200 -15.611 -2.431 1.00 2.02 H new ATOM 0 HA THR A 97 -6.370 -17.369 -4.659 1.00 70.32 H new ATOM 0 HB THR A 97 -4.722 -15.672 -2.784 1.00 44.32 H new ATOM 0 HG1 THR A 97 -6.090 -14.344 -4.092 1.00 22.10 H new ATOM 0 HG21 THR A 97 -2.992 -16.063 -4.514 1.00 44.30 H new ATOM 0 HG22 THR A 97 -3.575 -17.604 -3.843 1.00 44.30 H new ATOM 0 HG23 THR A 97 -4.136 -17.062 -5.442 1.00 44.30 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -1.572 0.902 11.667 1.00 65.54 C HETATM 1429 C2 33B A 101 -1.634 -0.440 12.421 1.00 33.41 C HETATM 1430 O2 33B A 101 -2.729 -1.006 12.584 1.00 62.05 O HETATM 1431 N3 33B A 101 -0.466 -1.062 12.880 1.00 4.01 N HETATM 1432 C4 33B A 101 1.016 -0.550 12.848 1.00 33.43 C HETATM 1433 C5 33B A 101 1.385 0.754 12.382 1.00 5.12 C HETATM 1434 C6 33B A 101 2.110 -1.437 13.299 1.00 61.15 C HETATM 1435 S6 33B A 101 1.852 -3.081 13.995 1.00 74.41 S HETATM 1436 C7 33B A 101 2.720 1.135 12.309 1.00 12.14 C HETATM 1437 C8 33B A 101 3.440 -0.979 13.193 1.00 20.24 C HETATM 1438 C9 33B A 101 3.752 0.266 12.692 1.00 44.44 C HETATM 1439 N10 33B A 101 5.193 0.621 12.490 1.00 72.42 N HETATM 1440 N11 33B A 101 5.581 1.688 11.978 1.00 41.11 N HETATM 1441 C12 33B A 101 7.017 1.995 11.720 1.00 74.44 C HETATM 1442 C13 33B A 101 7.366 3.207 11.129 1.00 35.03 C HETATM 1443 C14 33B A 101 8.023 1.057 12.013 1.00 35.51 C HETATM 1444 C15 33B A 101 8.681 3.491 10.787 1.00 32.44 C HETATM 1445 C16 33B A 101 9.376 1.294 11.691 1.00 12.20 C HETATM 1446 C17 33B A 101 9.722 2.553 11.022 1.00 70.12 C HETATM 1447 S17 33B A 101 10.586 0.006 12.072 1.00 54.21 S HETATM 1448 N18 33B A 101 11.181 2.861 10.632 1.00 31.04 N HETATM 1449 C19 33B A 101 11.633 3.908 9.838 1.00 23.23 C HETATM 1450 O19 33B A 101 12.757 4.377 10.005 1.00 34.30 O HETATM 1451 C20 33B A 101 10.803 4.362 8.616 1.00 54.25 C HETATM 1452 O61 33B A 101 0.637 -3.559 13.375 1.00 62.43 O HETATM 1453 O62 33B A 101 3.052 -3.785 13.611 1.00 72.30 O HETATM 1454 O63 33B A 101 1.749 -2.786 15.415 1.00 61.43 O HETATM 1455 O71 33B A 101 11.817 0.739 12.297 1.00 42.51 O HETATM 1456 O72 33B A 101 10.035 -0.616 13.248 1.00 44.43 O HETATM 1457 O73 33B A 101 10.574 -0.836 10.882 1.00 1.43 O HETATM 0 HO72 33B A 101 10.625 -1.342 13.541 1.00 44.43 H new HETATM 0 HO62 33B A 101 3.485 -4.153 14.409 1.00 72.30 H new HETATM 0 HN18 33B A 101 11.892 2.227 10.996 1.00 31.04 H new HETATM 0 HN3 33B A 101 -0.599 -1.984 13.296 1.00 4.01 H new HETATM 0 H8 33B A 101 4.249 -1.633 13.519 1.00 20.24 H new HETATM 0 H7 33B A 101 2.970 2.132 11.946 1.00 12.14 H new HETATM 0 H5 33B A 101 0.608 1.457 12.081 1.00 5.12 H new HETATM 0 H15 33B A 101 8.919 4.451 10.330 1.00 32.44 H new HETATM 0 H14 33B A 101 7.750 0.122 12.502 1.00 35.51 H new HETATM 0 H13 33B A 101 6.591 3.947 10.931 1.00 35.03 H new