USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 44 GLN :FLIP amide:sc= -1.68 F(o=-5.2!,f=-3.7) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -2.06! F(o=-4.3,f=-3.7!) USER MOD Single : A 1 PHE N :NH3+ 139:sc= 0.979 (180deg=0.39) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.153 (180deg=-0.886) USER MOD Single : A 15 TYR OH : rot -69:sc= 0.866 USER MOD Single : A 16 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00835 K(o=-0.0083,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 144:sc= -0.195 (180deg=-1.33!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.206 (180deg=-1.17) USER MOD Single : A 39 SER OG : rot 69:sc= -0.0748 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.758) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.02 (180deg=-0.307) USER MOD Single : A 50 MET CE :methyl 179:sc= 0 (180deg=-0.00103) USER MOD Single : A 51 HIS : no HD1:sc= -0.0506 K(o=-0.051,f=-0.62) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 1.01 (180deg=0.312) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 14 LYS NZ :NH3+ 157:sc= -0.184 (180deg=-0.975) USER MOD Single : B 15 TYR OH : rot -70:sc= 0.872 USER MOD Single : B 16 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 153:sc= -0.18 (180deg=-1.35!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 152:sc= -0.261 (180deg=-1.1) USER MOD Single : B 39 SER OG : rot 70:sc= -0.095 USER MOD Single : B 42 LYS NZ :NH3+ -161:sc= -0.115 (180deg=-0.745) USER MOD Single : B 46 LYS NZ :NH3+ -162:sc= -0.0259 (180deg=-0.321) USER MOD Single : B 50 MET CE :methyl 179:sc= 0 (180deg=-0.00279) USER MOD Single : B 51 HIS : no HD1:sc= -0.0457 K(o=-0.046,f=-0.6) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.256 -4.889 23.567 1.00 0.00 N ATOM 2 CA PHE A 1 94.883 -4.078 24.760 1.00 0.00 C ATOM 3 C PHE A 1 94.960 -2.596 24.398 1.00 0.00 C ATOM 4 O PHE A 1 96.024 -2.053 24.175 1.00 0.00 O ATOM 5 CB PHE A 1 95.844 -4.393 25.904 1.00 0.00 C ATOM 6 CG PHE A 1 96.046 -5.891 25.976 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.988 -6.720 26.365 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.286 -6.451 25.638 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.169 -8.108 26.423 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.466 -7.839 25.696 1.00 0.00 C ATOM 11 CZ PHE A 1 96.409 -8.666 26.088 1.00 0.00 C ATOM 0 H1 PHE A 1 95.856 -5.686 23.862 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.395 -5.254 23.112 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.778 -4.294 22.892 1.00 0.00 H new ATOM 0 HA PHE A 1 93.867 -4.318 25.075 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.798 -3.891 25.744 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.443 -4.021 26.847 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.031 -6.289 26.621 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.102 -5.813 25.333 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.353 -8.747 26.726 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.422 -8.271 25.438 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.549 -9.736 26.132 1.00 0.00 H new ATOM 23 N LEU A 2 93.829 -1.944 24.314 1.00 0.00 N ATOM 24 CA LEU A 2 93.813 -0.499 23.937 1.00 0.00 C ATOM 25 C LEU A 2 93.686 0.390 25.165 1.00 0.00 C ATOM 26 O LEU A 2 92.951 0.110 26.084 1.00 0.00 O ATOM 27 CB LEU A 2 92.635 -0.239 22.994 1.00 0.00 C ATOM 28 CG LEU A 2 92.730 -1.165 21.774 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.538 -0.904 20.848 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.040 -0.903 21.010 1.00 0.00 C ATOM 0 H LEU A 2 92.911 -2.353 24.491 1.00 0.00 H new ATOM 0 HA LEU A 2 94.754 -0.261 23.441 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.694 -0.408 23.518 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.638 0.802 22.672 1.00 0.00 H new ATOM 0 HG LEU A 2 92.718 -2.202 22.110 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.601 -1.560 19.980 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.610 -1.101 21.385 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.553 0.135 20.520 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.096 -1.566 20.146 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.064 0.134 20.674 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.889 -1.091 21.668 1.00 0.00 H new ATOM 42 N ASP A 3 94.396 1.481 25.164 1.00 0.00 N ATOM 43 CA ASP A 3 94.326 2.428 26.305 1.00 0.00 C ATOM 44 C ASP A 3 92.880 2.901 26.427 1.00 0.00 C ATOM 45 O ASP A 3 92.352 3.057 27.510 1.00 0.00 O ATOM 46 CB ASP A 3 95.243 3.624 26.036 1.00 0.00 C ATOM 47 CG ASP A 3 95.205 4.581 27.228 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.288 4.468 28.026 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.095 5.410 27.326 1.00 0.00 O ATOM 0 H ASP A 3 95.028 1.759 24.413 1.00 0.00 H new ATOM 0 HA ASP A 3 94.647 1.944 27.227 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.263 3.281 25.865 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.925 4.142 25.131 1.00 0.00 H new ATOM 54 N GLY A 4 92.229 3.114 25.313 1.00 0.00 N ATOM 55 CA GLY A 4 90.807 3.558 25.348 1.00 0.00 C ATOM 56 C GLY A 4 90.024 2.639 26.288 1.00 0.00 C ATOM 57 O GLY A 4 88.910 2.931 26.674 1.00 0.00 O ATOM 0 H GLY A 4 92.623 2.999 24.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.743 4.591 25.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.378 3.527 24.347 1.00 0.00 H new ATOM 61 N ILE A 5 90.609 1.538 26.676 1.00 0.00 N ATOM 62 CA ILE A 5 89.912 0.616 27.612 1.00 0.00 C ATOM 63 C ILE A 5 89.627 1.377 28.909 1.00 0.00 C ATOM 64 O ILE A 5 88.618 1.172 29.555 1.00 0.00 O ATOM 65 CB ILE A 5 90.795 -0.613 27.882 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.754 -1.543 26.666 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.282 -1.370 29.114 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.867 -2.587 26.783 1.00 0.00 C ATOM 0 H ILE A 5 91.539 1.239 26.384 1.00 0.00 H new ATOM 0 HA ILE A 5 88.973 0.268 27.181 1.00 0.00 H new ATOM 0 HB ILE A 5 91.818 -0.284 28.064 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.784 -2.036 26.605 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.877 -0.966 25.749 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.914 -2.239 29.297 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.309 -0.712 29.983 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.257 -1.698 28.939 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.838 -3.249 25.917 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.834 -2.085 26.823 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.723 -3.172 27.692 1.00 0.00 H new ATOM 80 N ASP A 6 90.504 2.267 29.283 1.00 0.00 N ATOM 81 CA ASP A 6 90.286 3.061 30.526 1.00 0.00 C ATOM 82 C ASP A 6 88.985 3.855 30.389 1.00 0.00 C ATOM 83 O ASP A 6 88.237 4.011 31.334 1.00 0.00 O ATOM 84 CB ASP A 6 91.454 4.031 30.727 1.00 0.00 C ATOM 85 CG ASP A 6 92.711 3.250 31.116 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.569 2.193 31.709 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.796 3.726 30.820 1.00 0.00 O ATOM 0 H ASP A 6 91.365 2.480 28.780 1.00 0.00 H new ATOM 0 HA ASP A 6 90.222 2.390 31.383 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.633 4.595 29.811 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.209 4.755 31.504 1.00 0.00 H new ATOM 92 N LYS A 7 88.715 4.361 29.219 1.00 0.00 N ATOM 93 CA LYS A 7 87.468 5.151 29.006 1.00 0.00 C ATOM 94 C LYS A 7 86.252 4.257 29.249 1.00 0.00 C ATOM 95 O LYS A 7 85.262 4.678 29.814 1.00 0.00 O ATOM 96 CB LYS A 7 87.427 5.658 27.560 1.00 0.00 C ATOM 97 CG LYS A 7 88.556 6.668 27.314 1.00 0.00 C ATOM 98 CD LYS A 7 88.172 8.049 27.859 1.00 0.00 C ATOM 99 CE LYS A 7 89.199 9.078 27.382 1.00 0.00 C ATOM 100 NZ LYS A 7 88.769 10.442 27.800 1.00 0.00 N ATOM 0 H LYS A 7 89.308 4.261 28.395 1.00 0.00 H new ATOM 0 HA LYS A 7 87.453 5.994 29.696 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.525 4.819 26.871 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.463 6.125 27.359 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.471 6.323 27.795 1.00 0.00 H new ATOM 0 HG3 LYS A 7 88.763 6.737 26.246 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.175 8.325 27.515 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.139 8.028 28.948 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.179 8.850 27.801 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.298 9.033 26.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.467 11.141 27.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.842 10.658 27.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.697 10.481 28.837 1.00 0.00 H new ATOM 114 N ALA A 8 86.313 3.029 28.817 1.00 0.00 N ATOM 115 CA ALA A 8 85.154 2.116 29.015 1.00 0.00 C ATOM 116 C ALA A 8 84.853 1.995 30.508 1.00 0.00 C ATOM 117 O ALA A 8 83.710 1.972 30.920 1.00 0.00 O ATOM 118 CB ALA A 8 85.488 0.735 28.450 1.00 0.00 C ATOM 0 H ALA A 8 87.114 2.619 28.336 1.00 0.00 H new ATOM 0 HA ALA A 8 84.283 2.518 28.498 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.639 0.067 28.595 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.704 0.820 27.385 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.359 0.332 28.966 1.00 0.00 H new ATOM 124 N GLN A 9 85.865 1.921 31.324 1.00 0.00 N ATOM 125 CA GLN A 9 85.624 1.808 32.787 1.00 0.00 C ATOM 126 C GLN A 9 84.841 3.034 33.263 1.00 0.00 C ATOM 127 O GLN A 9 83.932 2.932 34.062 1.00 0.00 O ATOM 128 CB GLN A 9 86.966 1.750 33.518 1.00 0.00 C ATOM 129 CG GLN A 9 87.649 0.412 33.225 1.00 0.00 C ATOM 130 CD GLN A 9 89.014 0.374 33.914 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.710 1.370 33.963 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.430 -0.739 34.451 1.00 0.00 N ATOM 0 H GLN A 9 86.845 1.934 31.042 1.00 0.00 H new ATOM 0 HA GLN A 9 85.054 0.903 32.997 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.603 2.574 33.197 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.813 1.865 34.591 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.028 -0.411 33.579 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.769 0.281 32.150 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.846 -1.574 34.410 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.339 -0.774 34.912 1.00 0.00 H new ATOM 141 N GLU A 10 85.192 4.193 32.774 1.00 0.00 N ATOM 142 CA GLU A 10 84.478 5.433 33.193 1.00 0.00 C ATOM 143 C GLU A 10 83.006 5.364 32.777 1.00 0.00 C ATOM 144 O GLU A 10 82.127 5.788 33.502 1.00 0.00 O ATOM 145 CB GLU A 10 85.142 6.644 32.529 1.00 0.00 C ATOM 146 CG GLU A 10 84.428 7.930 32.960 1.00 0.00 C ATOM 147 CD GLU A 10 85.147 9.138 32.353 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.125 8.930 31.655 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.708 10.249 32.600 1.00 0.00 O ATOM 0 H GLU A 10 85.945 4.334 32.100 1.00 0.00 H new ATOM 0 HA GLU A 10 84.532 5.528 34.277 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.195 6.691 32.808 1.00 0.00 H new ATOM 0 HB3 GLU A 10 85.104 6.542 31.444 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.389 7.909 32.633 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.418 8.007 34.047 1.00 0.00 H new ATOM 156 N GLU A 11 82.731 4.852 31.604 1.00 0.00 N ATOM 157 CA GLU A 11 81.316 4.776 31.122 1.00 0.00 C ATOM 158 C GLU A 11 80.749 3.373 31.354 1.00 0.00 C ATOM 159 O GLU A 11 79.663 3.060 30.910 1.00 0.00 O ATOM 160 CB GLU A 11 81.274 5.089 29.624 1.00 0.00 C ATOM 161 CG GLU A 11 81.601 6.567 29.397 1.00 0.00 C ATOM 162 CD GLU A 11 81.559 6.875 27.900 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.469 5.937 27.124 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.614 8.044 27.554 1.00 0.00 O ATOM 0 H GLU A 11 83.427 4.482 30.957 1.00 0.00 H new ATOM 0 HA GLU A 11 80.717 5.500 31.675 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.989 4.462 29.091 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.287 4.859 29.222 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.885 7.194 29.928 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.587 6.798 29.799 1.00 0.00 H new ATOM 171 N CYS A 12 81.462 2.523 32.046 1.00 0.00 N ATOM 172 CA CYS A 12 80.930 1.150 32.295 1.00 0.00 C ATOM 173 C CYS A 12 79.493 1.259 32.806 1.00 0.00 C ATOM 174 O CYS A 12 78.619 0.512 32.411 1.00 0.00 O ATOM 175 CB CYS A 12 81.795 0.441 33.342 1.00 0.00 C ATOM 176 SG CYS A 12 81.090 -1.188 33.707 1.00 0.00 S ATOM 0 H CYS A 12 82.380 2.717 32.446 1.00 0.00 H new ATOM 0 HA CYS A 12 80.951 0.575 31.369 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.815 0.333 32.974 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.846 1.039 34.252 1.00 0.00 H new ATOM 181 N GLU A 13 79.248 2.196 33.674 1.00 0.00 N ATOM 182 CA GLU A 13 77.874 2.382 34.215 1.00 0.00 C ATOM 183 C GLU A 13 76.912 2.701 33.062 1.00 0.00 C ATOM 184 O GLU A 13 75.762 2.311 33.075 1.00 0.00 O ATOM 185 CB GLU A 13 77.886 3.526 35.234 1.00 0.00 C ATOM 186 CG GLU A 13 76.481 3.722 35.807 1.00 0.00 C ATOM 187 CD GLU A 13 76.523 4.799 36.894 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.615 5.227 37.233 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.465 5.174 37.369 1.00 0.00 O ATOM 0 H GLU A 13 79.945 2.847 34.036 1.00 0.00 H new ATOM 0 HA GLU A 13 77.539 1.470 34.709 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.589 3.303 36.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 78.227 4.446 34.758 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.791 4.015 35.016 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.111 2.784 36.222 1.00 0.00 H new ATOM 196 N LYS A 14 77.372 3.416 32.066 1.00 0.00 N ATOM 197 CA LYS A 14 76.481 3.764 30.917 1.00 0.00 C ATOM 198 C LYS A 14 76.032 2.493 30.189 1.00 0.00 C ATOM 199 O LYS A 14 74.897 2.380 29.767 1.00 0.00 O ATOM 200 CB LYS A 14 77.241 4.662 29.938 1.00 0.00 C ATOM 201 CG LYS A 14 76.278 5.178 28.863 1.00 0.00 C ATOM 202 CD LYS A 14 77.037 6.075 27.883 1.00 0.00 C ATOM 203 CE LYS A 14 76.061 6.655 26.856 1.00 0.00 C ATOM 204 NZ LYS A 14 74.983 7.404 27.564 1.00 0.00 N ATOM 0 H LYS A 14 78.325 3.773 31.999 1.00 0.00 H new ATOM 0 HA LYS A 14 75.603 4.286 31.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.691 5.500 30.471 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.055 4.105 29.475 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.828 4.340 28.331 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.464 5.735 29.327 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.534 6.881 28.423 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.815 5.502 27.378 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.589 7.318 26.170 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.629 5.854 26.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.573 8.112 26.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.241 6.741 27.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.382 7.881 28.397 1.00 0.00 H new ATOM 218 N TYR A 15 76.911 1.539 30.023 1.00 0.00 N ATOM 219 CA TYR A 15 76.528 0.281 29.309 1.00 0.00 C ATOM 220 C TYR A 15 75.981 -0.736 30.311 1.00 0.00 C ATOM 221 O TYR A 15 75.325 -1.689 29.942 1.00 0.00 O ATOM 222 CB TYR A 15 77.756 -0.299 28.607 1.00 0.00 C ATOM 223 CG TYR A 15 78.181 0.637 27.501 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.629 0.504 26.220 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.119 1.643 27.758 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.018 1.378 25.197 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.506 2.517 26.737 1.00 0.00 C ATOM 228 CZ TYR A 15 78.957 2.385 25.456 1.00 0.00 C ATOM 229 OH TYR A 15 79.338 3.247 24.448 1.00 0.00 O ATOM 0 H TYR A 15 77.877 1.575 30.350 1.00 0.00 H new ATOM 0 HA TYR A 15 75.758 0.505 28.570 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.569 -0.432 29.320 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.526 -1.283 28.199 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.904 -0.272 26.022 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.544 1.745 28.745 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.594 1.276 24.209 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.229 3.294 26.937 1.00 0.00 H new ATOM 0 HH TYR A 15 79.865 2.758 23.781 1.00 0.00 H new ATOM 239 N HIS A 16 76.244 -0.534 31.575 1.00 0.00 N ATOM 240 CA HIS A 16 75.736 -1.472 32.620 1.00 0.00 C ATOM 241 C HIS A 16 76.228 -2.897 32.343 1.00 0.00 C ATOM 242 O HIS A 16 77.410 -3.138 32.199 1.00 0.00 O ATOM 243 CB HIS A 16 74.204 -1.436 32.649 1.00 0.00 C ATOM 244 CG HIS A 16 73.743 -0.044 32.988 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.593 0.387 34.300 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.394 1.027 32.200 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.169 1.664 34.263 1.00 0.00 C ATOM 248 NE2 HIS A 16 73.032 2.099 33.008 1.00 0.00 N ATOM 0 H HIS A 16 76.794 0.248 31.932 1.00 0.00 H new ATOM 0 HA HIS A 16 76.118 -1.158 33.592 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.804 -1.738 31.681 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.826 -2.145 33.385 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.400 1.035 31.120 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.965 2.262 35.139 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.726 3.024 32.706 1.00 0.00 H new ATOM 257 N SER A 17 75.332 -3.849 32.284 1.00 0.00 N ATOM 258 CA SER A 17 75.750 -5.264 32.037 1.00 0.00 C ATOM 259 C SER A 17 75.806 -5.542 30.534 1.00 0.00 C ATOM 260 O SER A 17 76.128 -6.635 30.111 1.00 0.00 O ATOM 261 CB SER A 17 74.744 -6.213 32.690 1.00 0.00 C ATOM 262 OG SER A 17 74.668 -5.931 34.082 1.00 0.00 O ATOM 0 H SER A 17 74.328 -3.708 32.396 1.00 0.00 H new ATOM 0 HA SER A 17 76.739 -5.422 32.466 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.763 -6.095 32.229 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.048 -7.248 32.533 1.00 0.00 H new ATOM 0 HG SER A 17 74.023 -6.536 34.504 1.00 0.00 H new ATOM 268 N ASN A 18 75.495 -4.572 29.718 1.00 0.00 N ATOM 269 CA ASN A 18 75.533 -4.806 28.247 1.00 0.00 C ATOM 270 C ASN A 18 76.976 -4.692 27.754 1.00 0.00 C ATOM 271 O ASN A 18 77.343 -3.737 27.102 1.00 0.00 O ATOM 272 CB ASN A 18 74.681 -3.756 27.535 1.00 0.00 C ATOM 273 CG ASN A 18 73.204 -3.986 27.854 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.816 -5.064 28.259 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.355 -3.012 27.675 1.00 0.00 N ATOM 0 H ASN A 18 75.218 -3.633 30.004 1.00 0.00 H new ATOM 0 HA ASN A 18 75.143 -5.801 28.032 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.980 -2.757 27.851 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.843 -3.812 26.459 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.365 -3.155 27.875 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.681 -2.107 27.335 1.00 0.00 H new ATOM 282 N TRP A 19 77.798 -5.658 28.060 1.00 0.00 N ATOM 283 CA TRP A 19 79.214 -5.597 27.602 1.00 0.00 C ATOM 284 C TRP A 19 79.262 -5.793 26.085 1.00 0.00 C ATOM 285 O TRP A 19 80.164 -5.325 25.418 1.00 0.00 O ATOM 286 CB TRP A 19 80.026 -6.699 28.286 1.00 0.00 C ATOM 287 CG TRP A 19 79.458 -8.034 27.929 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.461 -8.658 28.597 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.833 -8.918 26.832 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.198 -9.869 27.979 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.020 -10.074 26.888 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.791 -8.831 25.804 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.151 -11.105 25.958 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.925 -9.868 24.866 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.107 -11.002 24.943 1.00 0.00 C ATOM 0 H TRP A 19 77.551 -6.484 28.605 1.00 0.00 H new ATOM 0 HA TRP A 19 79.638 -4.627 27.860 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.069 -6.642 27.976 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.007 -6.561 29.367 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.953 -8.275 29.470 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.485 -10.528 28.291 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.427 -7.961 25.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.518 -11.978 26.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.663 -9.790 24.081 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.214 -11.796 24.219 1.00 0.00 H new ATOM 306 N ARG A 20 78.301 -6.488 25.533 1.00 0.00 N ATOM 307 CA ARG A 20 78.300 -6.716 24.059 1.00 0.00 C ATOM 308 C ARG A 20 78.249 -5.375 23.328 1.00 0.00 C ATOM 309 O ARG A 20 78.967 -5.153 22.373 1.00 0.00 O ATOM 310 CB ARG A 20 77.084 -7.552 23.659 1.00 0.00 C ATOM 311 CG ARG A 20 77.249 -8.985 24.169 1.00 0.00 C ATOM 312 CD ARG A 20 76.029 -9.813 23.762 1.00 0.00 C ATOM 313 NE ARG A 20 76.186 -11.209 24.258 1.00 0.00 N ATOM 314 CZ ARG A 20 75.155 -12.011 24.286 1.00 0.00 C ATOM 315 NH1 ARG A 20 73.989 -11.590 23.878 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.290 -13.235 24.721 1.00 0.00 N ATOM 0 H ARG A 20 77.520 -6.906 26.038 1.00 0.00 H new ATOM 0 HA ARG A 20 79.211 -7.248 23.786 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.177 -7.112 24.072 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.973 -7.553 22.575 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.156 -9.427 23.757 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.358 -8.986 25.254 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.122 -9.370 24.173 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.921 -9.811 22.677 1.00 0.00 H new ATOM 0 HE ARG A 20 77.098 -11.538 24.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.882 -10.635 23.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.184 -12.216 23.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.201 -13.566 25.039 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.484 -13.860 24.742 1.00 0.00 H new ATOM 330 N ALA A 21 77.412 -4.474 23.763 1.00 0.00 N ATOM 331 CA ALA A 21 77.340 -3.157 23.078 1.00 0.00 C ATOM 332 C ALA A 21 78.662 -2.425 23.297 1.00 0.00 C ATOM 333 O ALA A 21 79.231 -1.860 22.383 1.00 0.00 O ATOM 334 CB ALA A 21 76.185 -2.337 23.657 1.00 0.00 C ATOM 0 H ALA A 21 76.781 -4.592 24.556 1.00 0.00 H new ATOM 0 HA ALA A 21 77.167 -3.297 22.011 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.135 -1.372 23.153 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.248 -2.873 23.508 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.348 -2.181 24.723 1.00 0.00 H new ATOM 340 N MET A 22 79.167 -2.451 24.500 1.00 0.00 N ATOM 341 CA MET A 22 80.467 -1.782 24.781 1.00 0.00 C ATOM 342 C MET A 22 81.559 -2.436 23.933 1.00 0.00 C ATOM 343 O MET A 22 82.338 -1.769 23.284 1.00 0.00 O ATOM 344 CB MET A 22 80.803 -1.933 26.265 1.00 0.00 C ATOM 345 CG MET A 22 82.078 -1.150 26.582 1.00 0.00 C ATOM 346 SD MET A 22 82.403 -1.215 28.363 1.00 0.00 S ATOM 347 CE MET A 22 82.640 -3.003 28.496 1.00 0.00 C ATOM 0 H MET A 22 78.733 -2.908 25.302 1.00 0.00 H new ATOM 0 HA MET A 22 80.401 -0.722 24.534 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.977 -1.566 26.875 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.939 -2.986 26.513 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.921 -1.570 26.033 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.971 -0.114 26.259 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.414 -3.214 29.234 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.706 -3.472 28.806 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.943 -3.403 27.528 1.00 0.00 H new ATOM 357 N ALA A 23 81.615 -3.742 23.926 1.00 0.00 N ATOM 358 CA ALA A 23 82.652 -4.438 23.114 1.00 0.00 C ATOM 359 C ALA A 23 82.475 -4.055 21.643 1.00 0.00 C ATOM 360 O ALA A 23 83.432 -3.833 20.928 1.00 0.00 O ATOM 361 CB ALA A 23 82.488 -5.952 23.271 1.00 0.00 C ATOM 0 H ALA A 23 80.988 -4.355 24.447 1.00 0.00 H new ATOM 0 HA ALA A 23 83.645 -4.145 23.453 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.246 -6.464 22.678 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.604 -6.224 24.320 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.497 -6.248 22.927 1.00 0.00 H new ATOM 367 N SER A 24 81.254 -3.970 21.193 1.00 0.00 N ATOM 368 CA SER A 24 81.003 -3.594 19.773 1.00 0.00 C ATOM 369 C SER A 24 81.405 -2.135 19.558 1.00 0.00 C ATOM 370 O SER A 24 81.844 -1.753 18.491 1.00 0.00 O ATOM 371 CB SER A 24 79.518 -3.767 19.454 1.00 0.00 C ATOM 372 OG SER A 24 79.276 -3.359 18.113 1.00 0.00 O ATOM 0 H SER A 24 80.417 -4.145 21.749 1.00 0.00 H new ATOM 0 HA SER A 24 81.591 -4.235 19.116 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.224 -4.808 19.589 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.915 -3.174 20.141 1.00 0.00 H new ATOM 0 HG SER A 24 78.325 -3.470 17.904 1.00 0.00 H new ATOM 378 N ASP A 25 81.260 -1.314 20.562 1.00 0.00 N ATOM 379 CA ASP A 25 81.633 0.120 20.408 1.00 0.00 C ATOM 380 C ASP A 25 83.150 0.222 20.301 1.00 0.00 C ATOM 381 O ASP A 25 83.684 0.961 19.497 1.00 0.00 O ATOM 382 CB ASP A 25 81.168 0.894 21.640 1.00 0.00 C ATOM 383 CG ASP A 25 81.270 2.397 21.371 1.00 0.00 C ATOM 384 OD1 ASP A 25 81.883 2.761 20.382 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.733 3.158 22.159 1.00 0.00 O ATOM 0 H ASP A 25 80.900 -1.574 21.480 1.00 0.00 H new ATOM 0 HA ASP A 25 81.165 0.534 19.515 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.140 0.627 21.883 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.779 0.626 22.502 1.00 0.00 H new ATOM 390 N PHE A 26 83.845 -0.530 21.104 1.00 0.00 N ATOM 391 CA PHE A 26 85.337 -0.509 21.062 1.00 0.00 C ATOM 392 C PHE A 26 85.832 -1.645 20.163 1.00 0.00 C ATOM 393 O PHE A 26 87.014 -1.800 19.935 1.00 0.00 O ATOM 394 CB PHE A 26 85.890 -0.692 22.478 1.00 0.00 C ATOM 395 CG PHE A 26 85.664 0.571 23.277 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.636 1.581 23.271 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.488 0.737 24.024 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.435 2.753 24.009 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.291 1.911 24.764 1.00 0.00 C ATOM 400 CZ PHE A 26 85.264 2.919 24.756 1.00 0.00 C ATOM 0 H PHE A 26 83.443 -1.164 21.794 1.00 0.00 H new ATOM 0 HA PHE A 26 85.680 0.446 20.663 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.400 -1.535 22.965 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.954 -0.923 22.437 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.541 1.455 22.696 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.736 -0.038 24.029 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.185 3.530 24.002 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.387 2.039 25.341 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.110 3.823 25.326 1.00 0.00 H new ATOM 410 N ASN A 27 84.929 -2.432 19.641 1.00 0.00 N ATOM 411 CA ASN A 27 85.332 -3.553 18.742 1.00 0.00 C ATOM 412 C ASN A 27 86.394 -4.426 19.423 1.00 0.00 C ATOM 413 O ASN A 27 87.355 -4.835 18.801 1.00 0.00 O ATOM 414 CB ASN A 27 85.905 -2.982 17.441 1.00 0.00 C ATOM 415 CG ASN A 27 84.829 -2.164 16.722 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.070 -1.043 16.320 1.00 0.00 O ATOM 417 ND2 ASN A 27 83.644 -2.680 16.541 1.00 0.00 N ATOM 0 H ASN A 27 83.925 -2.346 19.799 1.00 0.00 H new ATOM 0 HA ASN A 27 84.456 -4.164 18.525 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.770 -2.354 17.657 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.251 -3.791 16.798 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.921 -2.142 16.062 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.441 -3.621 16.878 1.00 0.00 H new ATOM 424 N LEU A 28 86.232 -4.716 20.695 1.00 0.00 N ATOM 425 CA LEU A 28 87.238 -5.567 21.421 1.00 0.00 C ATOM 426 C LEU A 28 86.628 -6.952 21.730 1.00 0.00 C ATOM 427 O LEU A 28 85.576 -7.032 22.330 1.00 0.00 O ATOM 428 CB LEU A 28 87.591 -4.899 22.750 1.00 0.00 C ATOM 429 CG LEU A 28 88.379 -3.604 22.507 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.361 -2.760 23.786 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.839 -3.921 22.126 1.00 0.00 C ATOM 0 H LEU A 28 85.446 -4.400 21.264 1.00 0.00 H new ATOM 0 HA LEU A 28 88.124 -5.680 20.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.680 -4.679 23.306 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.181 -5.582 23.362 1.00 0.00 H new ATOM 0 HG LEU A 28 87.915 -3.056 21.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.919 -1.838 23.621 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.331 -2.519 24.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.820 -3.322 24.599 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.381 -2.991 21.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.314 -4.477 22.935 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.856 -4.520 21.216 1.00 0.00 H new ATOM 443 N PRO A 29 87.274 -8.045 21.353 1.00 0.00 N ATOM 444 CA PRO A 29 86.742 -9.413 21.644 1.00 0.00 C ATOM 445 C PRO A 29 86.265 -9.557 23.110 1.00 0.00 C ATOM 446 O PRO A 29 86.749 -8.867 23.985 1.00 0.00 O ATOM 447 CB PRO A 29 87.944 -10.330 21.382 1.00 0.00 C ATOM 448 CG PRO A 29 88.759 -9.613 20.355 1.00 0.00 C ATOM 449 CD PRO A 29 88.551 -8.113 20.609 1.00 0.00 C ATOM 0 HA PRO A 29 85.870 -9.648 21.034 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.517 -10.500 22.293 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.624 -11.307 21.020 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.813 -9.879 20.440 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.442 -9.884 19.348 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.372 -7.689 21.187 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.498 -7.554 19.675 1.00 0.00 H new ATOM 457 N PRO A 30 85.331 -10.449 23.382 1.00 0.00 N ATOM 458 CA PRO A 30 84.809 -10.671 24.769 1.00 0.00 C ATOM 459 C PRO A 30 85.914 -10.732 25.842 1.00 0.00 C ATOM 460 O PRO A 30 85.657 -10.535 27.013 1.00 0.00 O ATOM 461 CB PRO A 30 84.097 -12.030 24.674 1.00 0.00 C ATOM 462 CG PRO A 30 83.664 -12.151 23.247 1.00 0.00 C ATOM 463 CD PRO A 30 84.665 -11.341 22.407 1.00 0.00 C ATOM 0 HA PRO A 30 84.168 -9.846 25.079 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.766 -12.845 24.952 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.243 -12.074 25.349 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.653 -13.195 22.934 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.652 -11.768 23.117 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.384 -11.992 21.909 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.159 -10.770 21.628 1.00 0.00 H new ATOM 471 N VAL A 31 87.131 -11.027 25.463 1.00 0.00 N ATOM 472 CA VAL A 31 88.219 -11.123 26.484 1.00 0.00 C ATOM 473 C VAL A 31 88.307 -9.820 27.275 1.00 0.00 C ATOM 474 O VAL A 31 88.173 -9.801 28.482 1.00 0.00 O ATOM 475 CB VAL A 31 89.565 -11.372 25.785 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.720 -11.226 26.792 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.582 -12.786 25.198 1.00 0.00 C ATOM 0 H VAL A 31 87.418 -11.204 24.500 1.00 0.00 H new ATOM 0 HA VAL A 31 87.994 -11.948 27.160 1.00 0.00 H new ATOM 0 HB VAL A 31 89.691 -10.639 24.988 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.669 -11.405 26.286 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.715 -10.219 27.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.596 -11.951 27.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.537 -12.963 24.702 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.449 -13.514 25.998 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.773 -12.890 24.475 1.00 0.00 H new ATOM 487 N VAL A 32 88.552 -8.737 26.604 1.00 0.00 N ATOM 488 CA VAL A 32 88.672 -7.436 27.312 1.00 0.00 C ATOM 489 C VAL A 32 87.308 -6.992 27.841 1.00 0.00 C ATOM 490 O VAL A 32 87.195 -6.493 28.939 1.00 0.00 O ATOM 491 CB VAL A 32 89.210 -6.388 26.342 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.184 -5.006 26.999 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.645 -6.747 25.952 1.00 0.00 C ATOM 0 H VAL A 32 88.675 -8.694 25.592 1.00 0.00 H new ATOM 0 HA VAL A 32 89.354 -7.548 28.155 1.00 0.00 H new ATOM 0 HB VAL A 32 88.584 -6.368 25.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.570 -4.264 26.300 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.159 -4.751 27.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.804 -5.017 27.895 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.031 -6.000 25.259 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.270 -6.771 26.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.658 -7.726 25.474 1.00 0.00 H new ATOM 503 N ALA A 33 86.270 -7.160 27.068 1.00 0.00 N ATOM 504 CA ALA A 33 84.927 -6.721 27.537 1.00 0.00 C ATOM 505 C ALA A 33 84.565 -7.468 28.816 1.00 0.00 C ATOM 506 O ALA A 33 84.189 -6.875 29.809 1.00 0.00 O ATOM 507 CB ALA A 33 83.890 -7.025 26.453 1.00 0.00 C ATOM 0 H ALA A 33 86.294 -7.579 26.138 1.00 0.00 H new ATOM 0 HA ALA A 33 84.941 -5.650 27.738 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.905 -6.705 26.792 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.151 -6.490 25.540 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.875 -8.097 26.254 1.00 0.00 H new ATOM 513 N LYS A 34 84.685 -8.760 28.808 1.00 0.00 N ATOM 514 CA LYS A 34 84.363 -9.537 30.030 1.00 0.00 C ATOM 515 C LYS A 34 85.284 -9.075 31.166 1.00 0.00 C ATOM 516 O LYS A 34 84.874 -8.954 32.303 1.00 0.00 O ATOM 517 CB LYS A 34 84.583 -11.028 29.759 1.00 0.00 C ATOM 518 CG LYS A 34 83.529 -11.554 28.768 1.00 0.00 C ATOM 519 CD LYS A 34 82.194 -11.825 29.478 1.00 0.00 C ATOM 520 CE LYS A 34 81.263 -12.577 28.522 1.00 0.00 C ATOM 521 NZ LYS A 34 81.880 -13.882 28.154 1.00 0.00 N ATOM 0 H LYS A 34 84.992 -9.313 28.008 1.00 0.00 H new ATOM 0 HA LYS A 34 83.322 -9.376 30.311 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.583 -11.187 29.355 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.524 -11.587 30.693 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.380 -10.827 27.970 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.889 -12.470 28.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.361 -12.413 30.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.736 -10.886 29.789 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.294 -12.741 28.994 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.085 -11.981 27.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.132 -14.574 27.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.480 -13.758 27.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.460 -14.227 28.945 1.00 0.00 H new ATOM 535 N GLU A 35 86.531 -8.828 30.860 1.00 0.00 N ATOM 536 CA GLU A 35 87.495 -8.386 31.913 1.00 0.00 C ATOM 537 C GLU A 35 87.048 -7.054 32.522 1.00 0.00 C ATOM 538 O GLU A 35 87.133 -6.855 33.717 1.00 0.00 O ATOM 539 CB GLU A 35 88.882 -8.205 31.288 1.00 0.00 C ATOM 540 CG GLU A 35 89.927 -7.976 32.388 1.00 0.00 C ATOM 541 CD GLU A 35 89.829 -6.541 32.921 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.306 -5.698 32.212 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.275 -6.314 34.035 1.00 0.00 O ATOM 0 H GLU A 35 86.925 -8.913 29.923 1.00 0.00 H new ATOM 0 HA GLU A 35 87.530 -9.144 32.696 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.144 -9.087 30.703 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.873 -7.358 30.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.771 -8.685 33.201 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.927 -8.158 31.994 1.00 0.00 H new ATOM 550 N ILE A 36 86.580 -6.136 31.720 1.00 0.00 N ATOM 551 CA ILE A 36 86.143 -4.826 32.281 1.00 0.00 C ATOM 552 C ILE A 36 85.019 -5.089 33.281 1.00 0.00 C ATOM 553 O ILE A 36 84.985 -4.532 34.360 1.00 0.00 O ATOM 554 CB ILE A 36 85.665 -3.917 31.146 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.856 -3.565 30.254 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.087 -2.626 31.724 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.357 -2.923 28.961 1.00 0.00 C ATOM 0 H ILE A 36 86.482 -6.235 30.710 1.00 0.00 H new ATOM 0 HA ILE A 36 86.969 -4.326 32.787 1.00 0.00 H new ATOM 0 HB ILE A 36 84.898 -4.434 30.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.525 -2.881 30.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.431 -4.463 30.028 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.749 -1.983 30.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.245 -2.863 32.374 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.855 -2.109 32.300 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.208 -2.673 28.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.706 -3.622 28.436 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.801 -2.016 29.196 1.00 0.00 H new ATOM 569 N VAL A 37 84.125 -5.974 32.944 1.00 0.00 N ATOM 570 CA VAL A 37 83.028 -6.327 33.883 1.00 0.00 C ATOM 571 C VAL A 37 83.653 -7.025 35.093 1.00 0.00 C ATOM 572 O VAL A 37 83.269 -6.809 36.226 1.00 0.00 O ATOM 573 CB VAL A 37 82.046 -7.263 33.174 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.058 -7.840 34.185 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.277 -6.472 32.108 1.00 0.00 C ATOM 0 H VAL A 37 84.108 -6.470 32.053 1.00 0.00 H new ATOM 0 HA VAL A 37 82.487 -5.438 34.209 1.00 0.00 H new ATOM 0 HB VAL A 37 82.598 -8.078 32.706 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.362 -8.505 33.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.602 -8.399 34.947 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.504 -7.028 34.657 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.576 -7.134 31.599 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.729 -5.659 32.583 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.979 -6.061 31.383 1.00 0.00 H new ATOM 585 N ALA A 38 84.623 -7.865 34.846 1.00 0.00 N ATOM 586 CA ALA A 38 85.302 -8.594 35.954 1.00 0.00 C ATOM 587 C ALA A 38 85.986 -7.600 36.905 1.00 0.00 C ATOM 588 O ALA A 38 86.333 -7.938 38.018 1.00 0.00 O ATOM 589 CB ALA A 38 86.353 -9.538 35.362 1.00 0.00 C ATOM 0 H ALA A 38 84.977 -8.078 33.913 1.00 0.00 H new ATOM 0 HA ALA A 38 84.561 -9.164 36.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.854 -10.075 36.167 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.867 -10.252 34.697 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.086 -8.960 34.800 1.00 0.00 H new ATOM 595 N SER A 39 86.202 -6.381 36.474 1.00 0.00 N ATOM 596 CA SER A 39 86.885 -5.385 37.360 1.00 0.00 C ATOM 597 C SER A 39 85.842 -4.566 38.120 1.00 0.00 C ATOM 598 O SER A 39 86.005 -4.268 39.287 1.00 0.00 O ATOM 599 CB SER A 39 87.737 -4.442 36.506 1.00 0.00 C ATOM 600 OG SER A 39 88.700 -5.200 35.787 1.00 0.00 O ATOM 0 H SER A 39 85.937 -6.033 35.552 1.00 0.00 H new ATOM 0 HA SER A 39 87.519 -5.915 38.070 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.103 -3.887 35.814 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.235 -3.708 37.140 1.00 0.00 H new ATOM 0 HG SER A 39 88.249 -5.737 35.102 1.00 0.00 H new ATOM 606 N CYS A 40 84.768 -4.205 37.479 1.00 0.00 N ATOM 607 CA CYS A 40 83.719 -3.416 38.181 1.00 0.00 C ATOM 608 C CYS A 40 83.197 -4.229 39.370 1.00 0.00 C ATOM 609 O CYS A 40 82.902 -5.399 39.247 1.00 0.00 O ATOM 610 CB CYS A 40 82.577 -3.106 37.214 1.00 0.00 C ATOM 611 SG CYS A 40 81.589 -1.742 37.873 1.00 0.00 S ATOM 0 H CYS A 40 84.571 -4.421 36.502 1.00 0.00 H new ATOM 0 HA CYS A 40 84.139 -2.477 38.541 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.976 -2.841 36.235 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.953 -3.989 37.076 1.00 0.00 H new ATOM 616 N ASP A 41 83.092 -3.620 40.519 1.00 0.00 N ATOM 617 CA ASP A 41 82.605 -4.359 41.724 1.00 0.00 C ATOM 618 C ASP A 41 81.088 -4.566 41.671 1.00 0.00 C ATOM 619 O ASP A 41 80.580 -5.573 42.124 1.00 0.00 O ATOM 620 CB ASP A 41 82.958 -3.565 42.980 1.00 0.00 C ATOM 621 CG ASP A 41 84.471 -3.606 43.204 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.084 -4.574 42.782 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.989 -2.674 43.794 1.00 0.00 O ATOM 0 H ASP A 41 83.323 -2.639 40.678 1.00 0.00 H new ATOM 0 HA ASP A 41 83.087 -5.336 41.744 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.623 -2.533 42.876 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.441 -3.982 43.844 1.00 0.00 H new ATOM 628 N LYS A 42 80.356 -3.624 41.149 1.00 0.00 N ATOM 629 CA LYS A 42 78.873 -3.781 41.111 1.00 0.00 C ATOM 630 C LYS A 42 78.490 -4.875 40.111 1.00 0.00 C ATOM 631 O LYS A 42 77.600 -5.665 40.357 1.00 0.00 O ATOM 632 CB LYS A 42 78.234 -2.459 40.678 1.00 0.00 C ATOM 633 CG LYS A 42 78.452 -1.405 41.765 1.00 0.00 C ATOM 634 CD LYS A 42 77.815 -0.082 41.334 1.00 0.00 C ATOM 635 CE LYS A 42 78.035 0.968 42.423 1.00 0.00 C ATOM 636 NZ LYS A 42 77.441 0.493 43.703 1.00 0.00 N ATOM 0 H LYS A 42 80.715 -2.757 40.749 1.00 0.00 H new ATOM 0 HA LYS A 42 78.517 -4.058 42.103 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.671 -2.123 39.738 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.168 -2.599 40.502 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.014 -1.742 42.705 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.519 -1.266 41.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.253 0.256 40.395 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.748 -0.220 41.157 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.101 1.154 42.552 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.580 1.913 42.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.283 1.304 44.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.534 0.022 43.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.091 -0.179 44.159 1.00 0.00 H new ATOM 650 N CYS A 43 79.150 -4.934 38.987 1.00 0.00 N ATOM 651 CA CYS A 43 78.815 -5.984 37.981 1.00 0.00 C ATOM 652 C CYS A 43 79.569 -7.281 38.303 1.00 0.00 C ATOM 653 O CYS A 43 79.409 -8.280 37.631 1.00 0.00 O ATOM 654 CB CYS A 43 79.198 -5.500 36.583 1.00 0.00 C ATOM 655 SG CYS A 43 78.497 -3.855 36.297 1.00 0.00 S ATOM 0 H CYS A 43 79.905 -4.302 38.721 1.00 0.00 H new ATOM 0 HA CYS A 43 77.743 -6.178 38.015 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.283 -5.466 36.483 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.830 -6.199 35.832 1.00 0.00 H new ATOM 660 N GLN A 44 80.396 -7.275 39.316 1.00 0.00 N ATOM 661 CA GLN A 44 81.163 -8.512 39.658 1.00 0.00 C ATOM 662 C GLN A 44 80.202 -9.613 40.122 1.00 0.00 C ATOM 663 O GLN A 44 80.246 -10.728 39.642 1.00 0.00 O ATOM 664 CB GLN A 44 82.159 -8.189 40.781 1.00 0.00 C ATOM 665 CG GLN A 44 83.018 -9.416 41.104 1.00 0.00 C ATOM 666 CD GLN A 44 83.906 -9.755 39.903 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.339 -8.793 39.130 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 84.215 -10.906 39.665 1.00 0.00 N flip ATOM 0 H GLN A 44 80.574 -6.472 39.919 1.00 0.00 H new ATOM 0 HA GLN A 44 81.700 -8.862 38.777 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.798 -7.359 40.481 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.620 -7.870 41.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.635 -9.219 41.981 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.379 -10.265 41.348 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.879 -11.659 40.266 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.810 -11.119 38.865 1.00 0.00 H new ATOM 677 N LEU A 45 79.331 -9.310 41.044 1.00 0.00 N ATOM 678 CA LEU A 45 78.364 -10.342 41.530 1.00 0.00 C ATOM 679 C LEU A 45 77.163 -10.386 40.581 1.00 0.00 C ATOM 680 O LEU A 45 76.853 -9.420 39.914 1.00 0.00 O ATOM 681 CB LEU A 45 77.898 -9.991 42.949 1.00 0.00 C ATOM 682 CG LEU A 45 79.084 -10.048 43.928 1.00 0.00 C ATOM 683 CD1 LEU A 45 78.610 -9.603 45.317 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.644 -11.484 44.009 1.00 0.00 C ATOM 0 H LEU A 45 79.245 -8.394 41.484 1.00 0.00 H new ATOM 0 HA LEU A 45 78.848 -11.318 41.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.457 -8.994 42.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.121 -10.686 43.267 1.00 0.00 H new ATOM 0 HG LEU A 45 79.873 -9.384 43.574 1.00 0.00 H new ATOM 0 HD11 LEU A 45 79.445 -9.641 46.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.229 -8.583 45.262 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.818 -10.268 45.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.482 -11.509 44.705 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.863 -12.160 44.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.983 -11.799 43.022 1.00 0.00 H new ATOM 696 N LYS A 46 76.489 -11.503 40.508 1.00 0.00 N ATOM 697 CA LYS A 46 75.317 -11.609 39.591 1.00 0.00 C ATOM 698 C LYS A 46 74.113 -10.902 40.217 1.00 0.00 C ATOM 699 O LYS A 46 73.126 -10.633 39.561 1.00 0.00 O ATOM 700 CB LYS A 46 74.985 -13.090 39.371 1.00 0.00 C ATOM 701 CG LYS A 46 73.947 -13.235 38.255 1.00 0.00 C ATOM 702 CD LYS A 46 73.625 -14.716 38.044 1.00 0.00 C ATOM 703 CE LYS A 46 72.585 -14.859 36.932 1.00 0.00 C ATOM 704 NZ LYS A 46 71.280 -14.317 37.404 1.00 0.00 N ATOM 0 H LYS A 46 76.699 -12.346 41.043 1.00 0.00 H new ATOM 0 HA LYS A 46 75.553 -11.140 38.636 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.890 -13.639 39.110 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.602 -13.526 40.294 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.040 -12.689 38.514 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.328 -12.800 37.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.531 -15.262 37.781 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.247 -15.152 38.969 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.913 -14.324 36.041 1.00 0.00 H new ATOM 0 HE3 LYS A 46 72.477 -15.907 36.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.515 -14.676 36.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.114 -14.618 38.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.299 -13.278 37.359 1.00 0.00 H new ATOM 718 N GLY A 47 74.187 -10.589 41.481 1.00 0.00 N ATOM 719 CA GLY A 47 73.046 -9.895 42.146 1.00 0.00 C ATOM 720 C GLY A 47 73.044 -10.238 43.635 1.00 0.00 C ATOM 721 O GLY A 47 74.076 -10.271 44.275 1.00 0.00 O ATOM 0 H GLY A 47 74.987 -10.783 42.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.132 -8.817 42.010 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.104 -10.200 41.690 1.00 0.00 H new ATOM 725 N GLU A 48 71.891 -10.491 44.193 1.00 0.00 N ATOM 726 CA GLU A 48 71.824 -10.827 45.645 1.00 0.00 C ATOM 727 C GLU A 48 72.071 -12.326 45.834 1.00 0.00 C ATOM 728 O GLU A 48 71.264 -13.152 45.454 1.00 0.00 O ATOM 729 CB GLU A 48 70.437 -10.466 46.175 1.00 0.00 C ATOM 730 CG GLU A 48 70.253 -8.949 46.117 1.00 0.00 C ATOM 731 CD GLU A 48 68.866 -8.581 46.646 1.00 0.00 C ATOM 732 OE1 GLU A 48 68.097 -9.490 46.915 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.599 -7.400 46.780 1.00 0.00 O ATOM 0 H GLU A 48 70.994 -10.480 43.708 1.00 0.00 H new ATOM 0 HA GLU A 48 72.584 -10.266 46.190 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.668 -10.960 45.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.324 -10.819 47.200 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.023 -8.456 46.711 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.368 -8.597 45.092 1.00 0.00 H new ATOM 740 N ALA A 49 73.183 -12.681 46.418 1.00 0.00 N ATOM 741 CA ALA A 49 73.487 -14.124 46.636 1.00 0.00 C ATOM 742 C ALA A 49 72.739 -14.635 47.870 1.00 0.00 C ATOM 743 O ALA A 49 73.333 -15.145 48.799 1.00 0.00 O ATOM 744 CB ALA A 49 74.992 -14.301 46.836 1.00 0.00 C ATOM 0 H ALA A 49 73.895 -12.033 46.754 1.00 0.00 H new ATOM 0 HA ALA A 49 73.165 -14.695 45.765 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.216 -15.356 46.996 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.521 -13.947 45.951 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.314 -13.726 47.704 1.00 0.00 H new ATOM 750 N MET A 50 71.442 -14.513 47.886 1.00 0.00 N ATOM 751 CA MET A 50 70.657 -15.001 49.057 1.00 0.00 C ATOM 752 C MET A 50 69.201 -15.175 48.635 1.00 0.00 C ATOM 753 O MET A 50 68.349 -15.523 49.428 1.00 0.00 O ATOM 754 CB MET A 50 70.745 -13.986 50.201 1.00 0.00 C ATOM 755 CG MET A 50 70.292 -12.613 49.701 1.00 0.00 C ATOM 756 SD MET A 50 70.395 -11.411 51.049 1.00 0.00 S ATOM 757 CE MET A 50 69.862 -9.966 50.098 1.00 0.00 C ATOM 0 H MET A 50 70.889 -14.096 47.138 1.00 0.00 H new ATOM 0 HA MET A 50 71.060 -15.954 49.399 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.119 -14.306 51.034 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.768 -13.930 50.574 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.918 -12.294 48.867 1.00 0.00 H new ATOM 0 HG3 MET A 50 69.269 -12.670 49.328 1.00 0.00 H new ATOM 0 HE1 MET A 50 69.834 -9.092 50.749 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.563 -9.789 49.282 1.00 0.00 H new ATOM 0 HE3 MET A 50 68.868 -10.146 49.689 1.00 0.00 H new ATOM 767 N HIS A 51 68.911 -14.932 47.385 1.00 0.00 N ATOM 768 CA HIS A 51 67.513 -15.081 46.897 1.00 0.00 C ATOM 769 C HIS A 51 67.530 -15.386 45.398 1.00 0.00 C ATOM 770 O HIS A 51 68.426 -14.987 44.679 1.00 0.00 O ATOM 771 CB HIS A 51 66.740 -13.784 47.146 1.00 0.00 C ATOM 772 CG HIS A 51 65.264 -14.045 47.007 1.00 0.00 C ATOM 773 ND1 HIS A 51 64.601 -13.926 45.792 1.00 0.00 N ATOM 774 CD2 HIS A 51 64.310 -14.425 47.919 1.00 0.00 C ATOM 775 CE1 HIS A 51 63.306 -14.230 46.005 1.00 0.00 C ATOM 776 NE2 HIS A 51 63.080 -14.540 47.283 1.00 0.00 N ATOM 0 H HIS A 51 69.586 -14.636 46.680 1.00 0.00 H new ATOM 0 HA HIS A 51 67.027 -15.898 47.431 1.00 0.00 H new ATOM 0 HB2 HIS A 51 66.960 -13.402 48.143 1.00 0.00 H new ATOM 0 HB3 HIS A 51 67.053 -13.019 46.435 1.00 0.00 H new ATOM 0 HD2 HIS A 51 64.488 -14.606 48.969 1.00 0.00 H new ATOM 0 HE1 HIS A 51 62.546 -14.224 45.238 1.00 0.00 H new ATOM 0 HE2 HIS A 51 62.190 -14.806 47.705 1.00 0.00 H new ATOM 785 N GLY A 52 66.545 -16.097 44.924 1.00 0.00 N ATOM 786 CA GLY A 52 66.488 -16.448 43.475 1.00 0.00 C ATOM 787 C GLY A 52 65.821 -17.814 43.334 1.00 0.00 C ATOM 788 O GLY A 52 66.110 -18.571 42.430 1.00 0.00 O ATOM 0 H GLY A 52 65.770 -16.454 45.483 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.926 -15.693 42.924 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.492 -16.471 43.051 1.00 0.00 H new ATOM 792 N GLN A 53 64.933 -18.133 44.234 1.00 0.00 N ATOM 793 CA GLN A 53 64.245 -19.450 44.173 1.00 0.00 C ATOM 794 C GLN A 53 63.141 -19.394 43.118 1.00 0.00 C ATOM 795 O GLN A 53 62.343 -18.478 43.089 1.00 0.00 O ATOM 796 CB GLN A 53 63.630 -19.762 45.539 1.00 0.00 C ATOM 797 CG GLN A 53 63.026 -21.167 45.524 1.00 0.00 C ATOM 798 CD GLN A 53 62.480 -21.501 46.913 1.00 0.00 C ATOM 799 OE1 GLN A 53 62.843 -20.874 47.888 1.00 0.00 O ATOM 800 NE2 GLN A 53 61.611 -22.466 47.045 1.00 0.00 N ATOM 0 H GLN A 53 64.654 -17.535 45.012 1.00 0.00 H new ATOM 0 HA GLN A 53 64.962 -20.228 43.910 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.391 -19.691 46.316 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.861 -19.028 45.779 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.227 -21.223 44.784 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.782 -21.897 45.233 1.00 0.00 H new ATOM 0 HE21 GLN A 53 61.306 -22.993 46.227 1.00 0.00 H new ATOM 0 HE22 GLN A 53 61.237 -22.693 47.966 1.00 0.00 H new ATOM 809 N VAL A 54 63.087 -20.369 42.250 1.00 0.00 N ATOM 810 CA VAL A 54 62.032 -20.381 41.194 1.00 0.00 C ATOM 811 C VAL A 54 60.865 -21.249 41.658 1.00 0.00 C ATOM 812 O VAL A 54 61.050 -22.334 42.173 1.00 0.00 O ATOM 813 CB VAL A 54 62.612 -20.955 39.899 1.00 0.00 C ATOM 814 CG1 VAL A 54 62.985 -22.425 40.105 1.00 0.00 C ATOM 815 CG2 VAL A 54 61.569 -20.846 38.783 1.00 0.00 C ATOM 0 H VAL A 54 63.730 -21.160 42.227 1.00 0.00 H new ATOM 0 HA VAL A 54 61.683 -19.364 41.014 1.00 0.00 H new ATOM 0 HB VAL A 54 63.504 -20.393 39.624 1.00 0.00 H new ATOM 0 HG11 VAL A 54 63.397 -22.829 39.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.728 -22.504 40.899 1.00 0.00 H new ATOM 0 HG13 VAL A 54 62.096 -22.991 40.383 1.00 0.00 H new ATOM 0 HG21 VAL A 54 61.980 -21.254 37.860 1.00 0.00 H new ATOM 0 HG22 VAL A 54 60.677 -21.407 39.062 1.00 0.00 H new ATOM 0 HG23 VAL A 54 61.306 -19.799 38.631 1.00 0.00 H new ATOM 825 N ASP A 55 59.659 -20.782 41.479 1.00 0.00 N ATOM 826 CA ASP A 55 58.472 -21.578 41.903 1.00 0.00 C ATOM 827 C ASP A 55 58.038 -22.483 40.749 1.00 0.00 C ATOM 828 O ASP A 55 57.708 -23.628 41.010 1.00 0.00 O ATOM 829 CB ASP A 55 57.327 -20.628 42.266 1.00 0.00 C ATOM 830 CG ASP A 55 57.074 -19.669 41.101 1.00 0.00 C ATOM 831 OD1 ASP A 55 57.973 -19.498 40.294 1.00 0.00 O ATOM 832 OD2 ASP A 55 55.985 -19.122 41.035 1.00 0.00 O ATOM 833 OXT ASP A 55 58.045 -22.015 39.623 1.00 0.00 O ATOM 0 H ASP A 55 59.444 -19.879 41.055 1.00 0.00 H new ATOM 0 HA ASP A 55 58.726 -22.187 42.771 1.00 0.00 H new ATOM 0 HB2 ASP A 55 56.424 -21.197 42.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 57.577 -20.066 43.166 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.173 -11.402 22.642 1.00 0.00 N ATOM 840 CA PHE B 1 95.371 -12.606 22.999 1.00 0.00 C ATOM 841 C PHE B 1 96.049 -13.843 22.417 1.00 0.00 C ATOM 842 O PHE B 1 96.093 -14.035 21.218 1.00 0.00 O ATOM 843 CB PHE B 1 93.958 -12.461 22.435 1.00 0.00 C ATOM 844 CG PHE B 1 93.465 -11.055 22.699 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.199 -10.644 24.012 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.286 -10.157 21.637 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.753 -9.339 24.261 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.839 -8.853 21.888 1.00 0.00 C ATOM 849 CZ PHE B 1 92.572 -8.446 23.199 1.00 0.00 C ATOM 0 H1 PHE B 1 95.534 -10.611 22.426 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.786 -11.144 23.441 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.760 -11.610 21.809 1.00 0.00 H new ATOM 0 HA PHE B 1 95.308 -12.707 24.082 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.957 -12.666 21.364 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.291 -13.187 22.899 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.338 -11.333 24.832 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.493 -10.471 20.625 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.549 -9.022 25.273 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.701 -8.162 21.069 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.226 -7.441 23.392 1.00 0.00 H new ATOM 861 N LEU B 2 96.605 -14.668 23.264 1.00 0.00 N ATOM 862 CA LEU B 2 97.320 -15.887 22.779 1.00 0.00 C ATOM 863 C LEU B 2 96.439 -17.123 22.893 1.00 0.00 C ATOM 864 O LEU B 2 95.728 -17.315 23.852 1.00 0.00 O ATOM 865 CB LEU B 2 98.591 -16.088 23.608 1.00 0.00 C ATOM 866 CG LEU B 2 99.470 -14.830 23.535 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.729 -15.048 24.377 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.870 -14.545 22.077 1.00 0.00 C ATOM 0 H LEU B 2 96.595 -14.550 24.277 1.00 0.00 H new ATOM 0 HA LEU B 2 97.573 -15.745 21.728 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.329 -16.299 24.645 1.00 0.00 H new ATOM 0 HB3 LEU B 2 99.145 -16.951 23.237 1.00 0.00 H new ATOM 0 HG LEU B 2 98.909 -13.978 23.919 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.357 -14.158 24.329 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.446 -15.237 25.412 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.282 -15.904 23.990 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.493 -13.651 22.039 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.428 -15.393 21.680 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.973 -14.388 21.478 1.00 0.00 H new ATOM 880 N ASP B 3 96.507 -17.974 21.908 1.00 0.00 N ATOM 881 CA ASP B 3 95.702 -19.220 21.936 1.00 0.00 C ATOM 882 C ASP B 3 96.118 -20.015 23.171 1.00 0.00 C ATOM 883 O ASP B 3 95.304 -20.612 23.846 1.00 0.00 O ATOM 884 CB ASP B 3 95.986 -20.038 20.672 1.00 0.00 C ATOM 885 CG ASP B 3 95.130 -21.306 20.674 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.620 -21.653 21.726 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.995 -21.906 19.620 1.00 0.00 O ATOM 0 H ASP B 3 97.091 -17.856 21.080 1.00 0.00 H new ATOM 0 HA ASP B 3 94.637 -18.991 21.973 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.768 -19.442 19.785 1.00 0.00 H new ATOM 0 HB3 ASP B 3 97.043 -20.301 20.628 1.00 0.00 H new ATOM 892 N GLY B 4 97.388 -20.006 23.481 1.00 0.00 N ATOM 893 CA GLY B 4 97.869 -20.740 24.685 1.00 0.00 C ATOM 894 C GLY B 4 96.993 -20.361 25.883 1.00 0.00 C ATOM 895 O GLY B 4 97.025 -20.997 26.916 1.00 0.00 O ATOM 0 H GLY B 4 98.112 -19.521 22.951 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.826 -21.815 24.512 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.911 -20.491 24.887 1.00 0.00 H new ATOM 899 N ILE B 5 96.194 -19.337 25.743 1.00 0.00 N ATOM 900 CA ILE B 5 95.295 -18.932 26.859 1.00 0.00 C ATOM 901 C ILE B 5 94.363 -20.105 27.171 1.00 0.00 C ATOM 902 O ILE B 5 94.000 -20.341 28.307 1.00 0.00 O ATOM 903 CB ILE B 5 94.492 -17.686 26.451 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.401 -16.458 26.509 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.306 -17.483 27.405 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.718 -15.284 25.799 1.00 0.00 C ATOM 0 H ILE B 5 96.126 -18.764 24.902 1.00 0.00 H new ATOM 0 HA ILE B 5 95.874 -18.682 27.748 1.00 0.00 H new ATOM 0 HB ILE B 5 94.114 -17.823 25.438 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.612 -16.197 27.546 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.357 -16.677 26.035 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.745 -16.598 27.105 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.654 -18.356 27.366 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.675 -17.352 28.422 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.365 -14.408 25.840 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.530 -15.548 24.758 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.773 -15.060 26.293 1.00 0.00 H new ATOM 918 N ASP B 6 93.985 -20.848 26.169 1.00 0.00 N ATOM 919 CA ASP B 6 93.093 -22.018 26.396 1.00 0.00 C ATOM 920 C ASP B 6 93.786 -22.995 27.349 1.00 0.00 C ATOM 921 O ASP B 6 93.164 -23.599 28.199 1.00 0.00 O ATOM 922 CB ASP B 6 92.816 -22.721 25.064 1.00 0.00 C ATOM 923 CG ASP B 6 91.907 -21.845 24.199 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.136 -21.087 24.762 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.993 -21.952 22.987 1.00 0.00 O ATOM 0 H ASP B 6 94.257 -20.694 25.198 1.00 0.00 H new ATOM 0 HA ASP B 6 92.151 -21.681 26.828 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.753 -22.916 24.543 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.344 -23.687 25.243 1.00 0.00 H new ATOM 930 N LYS B 7 95.072 -23.155 27.207 1.00 0.00 N ATOM 931 CA LYS B 7 95.818 -24.093 28.095 1.00 0.00 C ATOM 932 C LYS B 7 95.714 -23.613 29.543 1.00 0.00 C ATOM 933 O LYS B 7 95.572 -24.398 30.459 1.00 0.00 O ATOM 934 CB LYS B 7 97.295 -24.118 27.688 1.00 0.00 C ATOM 935 CG LYS B 7 97.455 -24.723 26.286 1.00 0.00 C ATOM 936 CD LYS B 7 97.399 -26.253 26.353 1.00 0.00 C ATOM 937 CE LYS B 7 97.803 -26.828 24.994 1.00 0.00 C ATOM 938 NZ LYS B 7 97.872 -28.313 25.084 1.00 0.00 N ATOM 0 H LYS B 7 95.642 -22.675 26.511 1.00 0.00 H new ATOM 0 HA LYS B 7 95.391 -25.092 28.002 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.700 -23.106 27.702 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.868 -24.701 28.410 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.666 -24.353 25.631 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.404 -24.406 25.853 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.068 -26.620 27.131 1.00 0.00 H new ATOM 0 HD3 LYS B 7 96.394 -26.581 26.617 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.081 -26.532 24.233 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.769 -26.426 24.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.147 -28.704 24.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.577 -28.585 25.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.941 -28.688 25.356 1.00 0.00 H new ATOM 952 N ALA B 8 95.797 -22.331 29.759 1.00 0.00 N ATOM 953 CA ALA B 8 95.717 -21.805 31.150 1.00 0.00 C ATOM 954 C ALA B 8 94.390 -22.228 31.779 1.00 0.00 C ATOM 955 O ALA B 8 94.329 -22.589 32.937 1.00 0.00 O ATOM 956 CB ALA B 8 95.806 -20.279 31.123 1.00 0.00 C ATOM 0 H ALA B 8 95.917 -21.624 29.033 1.00 0.00 H new ATOM 0 HA ALA B 8 96.542 -22.206 31.739 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.748 -19.893 32.141 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.753 -19.978 30.674 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.981 -19.877 30.535 1.00 0.00 H new ATOM 962 N GLN B 9 93.324 -22.191 31.026 1.00 0.00 N ATOM 963 CA GLN B 9 92.008 -22.597 31.589 1.00 0.00 C ATOM 964 C GLN B 9 92.091 -24.054 32.055 1.00 0.00 C ATOM 965 O GLN B 9 91.577 -24.416 33.095 1.00 0.00 O ATOM 966 CB GLN B 9 90.937 -22.475 30.503 1.00 0.00 C ATOM 967 CG GLN B 9 90.687 -20.999 30.193 1.00 0.00 C ATOM 968 CD GLN B 9 89.651 -20.882 29.074 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.653 -21.666 28.146 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.762 -19.928 29.120 1.00 0.00 N ATOM 0 H GLN B 9 93.309 -21.898 30.049 1.00 0.00 H new ATOM 0 HA GLN B 9 91.752 -21.954 32.431 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.258 -22.997 29.602 1.00 0.00 H new ATOM 0 HB3 GLN B 9 90.013 -22.949 30.834 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.333 -20.484 31.086 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.617 -20.516 29.894 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.760 -19.270 29.899 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.069 -19.841 28.377 1.00 0.00 H new ATOM 979 N GLU B 10 92.734 -24.892 31.285 1.00 0.00 N ATOM 980 CA GLU B 10 92.855 -26.328 31.671 1.00 0.00 C ATOM 981 C GLU B 10 93.640 -26.460 32.979 1.00 0.00 C ATOM 982 O GLU B 10 93.324 -27.274 33.823 1.00 0.00 O ATOM 983 CB GLU B 10 93.581 -27.092 30.558 1.00 0.00 C ATOM 984 CG GLU B 10 93.706 -28.571 30.937 1.00 0.00 C ATOM 985 CD GLU B 10 94.363 -29.338 29.788 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.679 -28.713 28.788 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.533 -30.538 29.924 1.00 0.00 O ATOM 0 H GLU B 10 93.182 -24.643 30.403 1.00 0.00 H new ATOM 0 HA GLU B 10 91.858 -26.744 31.815 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.034 -26.993 29.620 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.570 -26.664 30.397 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.300 -28.676 31.845 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.721 -28.987 31.150 1.00 0.00 H new ATOM 994 N GLU B 11 94.678 -25.679 33.144 1.00 0.00 N ATOM 995 CA GLU B 11 95.509 -25.769 34.386 1.00 0.00 C ATOM 996 C GLU B 11 95.109 -24.671 35.374 1.00 0.00 C ATOM 997 O GLU B 11 95.752 -24.480 36.386 1.00 0.00 O ATOM 998 CB GLU B 11 96.985 -25.597 34.022 1.00 0.00 C ATOM 999 CG GLU B 11 97.469 -26.819 33.237 1.00 0.00 C ATOM 1000 CD GLU B 11 98.944 -26.641 32.875 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.456 -25.552 33.077 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.539 -27.599 32.407 1.00 0.00 O ATOM 0 H GLU B 11 94.988 -24.979 32.469 1.00 0.00 H new ATOM 0 HA GLU B 11 95.347 -26.743 34.848 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.120 -24.694 33.427 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.581 -25.475 34.927 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.336 -27.723 33.832 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.874 -26.942 32.332 1.00 0.00 H new ATOM 1009 N CYS B 12 94.055 -23.947 35.103 1.00 0.00 N ATOM 1010 CA CYS B 12 93.636 -22.872 36.051 1.00 0.00 C ATOM 1011 C CYS B 12 93.597 -23.447 37.467 1.00 0.00 C ATOM 1012 O CYS B 12 94.020 -22.822 38.420 1.00 0.00 O ATOM 1013 CB CYS B 12 92.246 -22.357 35.672 1.00 0.00 C ATOM 1014 SG CYS B 12 91.705 -21.122 36.882 1.00 0.00 S ATOM 0 H CYS B 12 93.470 -24.052 34.274 1.00 0.00 H new ATOM 0 HA CYS B 12 94.346 -22.047 36.004 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.269 -21.918 34.675 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.537 -23.184 35.640 1.00 0.00 H new ATOM 1019 N GLU B 13 93.097 -24.641 37.603 1.00 0.00 N ATOM 1020 CA GLU B 13 93.029 -25.283 38.943 1.00 0.00 C ATOM 1021 C GLU B 13 94.446 -25.430 39.509 1.00 0.00 C ATOM 1022 O GLU B 13 94.661 -25.332 40.700 1.00 0.00 O ATOM 1023 CB GLU B 13 92.362 -26.657 38.810 1.00 0.00 C ATOM 1024 CG GLU B 13 92.281 -27.332 40.182 1.00 0.00 C ATOM 1025 CD GLU B 13 91.531 -28.660 40.051 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.013 -28.921 38.976 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.484 -29.391 41.027 1.00 0.00 O ATOM 0 H GLU B 13 92.729 -25.205 36.837 1.00 0.00 H new ATOM 0 HA GLU B 13 92.441 -24.667 39.623 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.362 -26.546 38.390 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.930 -27.282 38.121 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.283 -27.505 40.574 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.769 -26.681 40.890 1.00 0.00 H new ATOM 1034 N LYS B 14 95.414 -25.674 38.664 1.00 0.00 N ATOM 1035 CA LYS B 14 96.816 -25.838 39.156 1.00 0.00 C ATOM 1036 C LYS B 14 97.305 -24.532 39.793 1.00 0.00 C ATOM 1037 O LYS B 14 97.980 -24.543 40.803 1.00 0.00 O ATOM 1038 CB LYS B 14 97.731 -26.192 37.978 1.00 0.00 C ATOM 1039 CG LYS B 14 99.128 -26.545 38.501 1.00 0.00 C ATOM 1040 CD LYS B 14 100.044 -26.898 37.324 1.00 0.00 C ATOM 1041 CE LYS B 14 101.416 -27.329 37.852 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.251 -28.477 38.788 1.00 0.00 N ATOM 0 H LYS B 14 95.295 -25.767 37.655 1.00 0.00 H new ATOM 0 HA LYS B 14 96.840 -26.635 39.900 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.316 -27.033 37.422 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.792 -25.352 37.286 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.542 -25.704 39.058 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.067 -27.386 39.192 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.602 -27.701 36.734 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.151 -26.038 36.663 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.064 -27.613 37.023 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.899 -26.496 38.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.141 -29.012 38.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.003 -28.121 39.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.494 -29.100 38.443 1.00 0.00 H new ATOM 1056 N TYR B 15 96.977 -23.406 39.214 1.00 0.00 N ATOM 1057 CA TYR B 15 97.438 -22.106 39.793 1.00 0.00 C ATOM 1058 C TYR B 15 96.411 -21.601 40.810 1.00 0.00 C ATOM 1059 O TYR B 15 96.701 -20.748 41.623 1.00 0.00 O ATOM 1060 CB TYR B 15 97.599 -21.077 38.672 1.00 0.00 C ATOM 1061 CG TYR B 15 98.734 -21.500 37.773 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.044 -21.098 38.060 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.478 -22.306 36.657 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.097 -21.500 37.231 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.531 -22.708 35.827 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.840 -22.305 36.113 1.00 0.00 C ATOM 1067 OH TYR B 15 101.878 -22.703 35.296 1.00 0.00 O ATOM 0 H TYR B 15 96.412 -23.329 38.368 1.00 0.00 H new ATOM 0 HA TYR B 15 98.396 -22.252 40.292 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.675 -20.997 38.099 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.799 -20.091 39.092 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.242 -20.477 38.922 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.468 -22.618 36.437 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.108 -21.190 37.453 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.333 -23.329 34.966 1.00 0.00 H new ATOM 0 HH TYR B 15 102.217 -21.930 34.798 1.00 0.00 H new ATOM 1077 N HIS B 16 95.217 -22.130 40.769 1.00 0.00 N ATOM 1078 CA HIS B 16 94.159 -21.702 41.736 1.00 0.00 C ATOM 1079 C HIS B 16 93.925 -20.190 41.637 1.00 0.00 C ATOM 1080 O HIS B 16 93.670 -19.661 40.574 1.00 0.00 O ATOM 1081 CB HIS B 16 94.575 -22.079 43.163 1.00 0.00 C ATOM 1082 CG HIS B 16 94.738 -23.571 43.259 1.00 0.00 C ATOM 1083 ND1 HIS B 16 93.672 -24.416 43.543 1.00 0.00 N ATOM 1084 CD2 HIS B 16 95.832 -24.387 43.108 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.145 -25.676 43.553 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.453 -25.711 43.294 1.00 0.00 N ATOM 0 H HIS B 16 94.925 -22.845 40.103 1.00 0.00 H new ATOM 0 HA HIS B 16 93.229 -22.214 41.489 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.510 -21.583 43.424 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.823 -21.738 43.875 1.00 0.00 H new ATOM 0 HD2 HIS B 16 96.833 -24.052 42.880 1.00 0.00 H new ATOM 0 HE1 HIS B 16 93.541 -26.550 43.747 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.050 -26.537 43.243 1.00 0.00 H new ATOM 1095 N SER B 17 93.993 -19.489 42.742 1.00 0.00 N ATOM 1096 CA SER B 17 93.757 -18.013 42.713 1.00 0.00 C ATOM 1097 C SER B 17 95.066 -17.272 42.429 1.00 0.00 C ATOM 1098 O SER B 17 95.096 -16.059 42.363 1.00 0.00 O ATOM 1099 CB SER B 17 93.209 -17.557 44.067 1.00 0.00 C ATOM 1100 OG SER B 17 92.012 -18.267 44.352 1.00 0.00 O ATOM 0 H SER B 17 94.202 -19.876 43.663 1.00 0.00 H new ATOM 0 HA SER B 17 93.039 -17.788 41.925 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.946 -17.736 44.850 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.014 -16.485 44.051 1.00 0.00 H new ATOM 0 HG SER B 17 91.659 -17.979 45.220 1.00 0.00 H new ATOM 1106 N ASN B 18 96.151 -17.979 42.268 1.00 0.00 N ATOM 1107 CA ASN B 18 97.445 -17.289 41.997 1.00 0.00 C ATOM 1108 C ASN B 18 97.522 -16.920 40.515 1.00 0.00 C ATOM 1109 O ASN B 18 98.261 -17.515 39.757 1.00 0.00 O ATOM 1110 CB ASN B 18 98.607 -18.224 42.337 1.00 0.00 C ATOM 1111 CG ASN B 18 98.675 -18.438 43.850 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.143 -17.656 44.612 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.319 -19.472 44.317 1.00 0.00 N ATOM 0 H ASN B 18 96.198 -18.997 42.312 1.00 0.00 H new ATOM 0 HA ASN B 18 97.507 -16.389 42.608 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.476 -19.180 41.831 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.544 -17.799 41.978 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.376 -19.625 45.324 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.765 -20.127 43.675 1.00 0.00 H new ATOM 1120 N TRP B 19 96.767 -15.943 40.095 1.00 0.00 N ATOM 1121 CA TRP B 19 96.805 -15.545 38.661 1.00 0.00 C ATOM 1122 C TRP B 19 98.150 -14.876 38.360 1.00 0.00 C ATOM 1123 O TRP B 19 98.628 -14.899 37.244 1.00 0.00 O ATOM 1124 CB TRP B 19 95.667 -14.563 38.368 1.00 0.00 C ATOM 1125 CG TRP B 19 95.830 -13.344 39.215 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.340 -13.198 40.466 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.520 -12.102 38.895 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.688 -11.946 40.937 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.415 -11.232 40.006 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.223 -11.649 37.762 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.986 -9.959 39.992 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.798 -10.369 37.746 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.680 -9.526 38.860 1.00 0.00 C ATOM 0 H TRP B 19 96.128 -15.405 40.680 1.00 0.00 H new ATOM 0 HA TRP B 19 96.686 -16.428 38.034 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.672 -14.289 37.313 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.705 -15.034 38.571 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.770 -13.938 41.008 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.438 -11.593 41.861 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.320 -12.291 36.899 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.892 -9.312 40.852 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.334 -10.032 36.871 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.126 -8.542 38.843 1.00 0.00 H new ATOM 1144 N ARG B 20 98.762 -14.274 39.347 1.00 0.00 N ATOM 1145 CA ARG B 20 100.071 -13.601 39.108 1.00 0.00 C ATOM 1146 C ARG B 20 101.093 -14.622 38.611 1.00 0.00 C ATOM 1147 O ARG B 20 101.828 -14.370 37.676 1.00 0.00 O ATOM 1148 CB ARG B 20 100.582 -12.971 40.406 1.00 0.00 C ATOM 1149 CG ARG B 20 99.707 -11.773 40.778 1.00 0.00 C ATOM 1150 CD ARG B 20 100.225 -11.147 42.074 1.00 0.00 C ATOM 1151 NE ARG B 20 99.374 -9.981 42.439 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.443 -9.476 43.641 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.254 -9.996 44.520 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.699 -8.454 43.963 1.00 0.00 N ATOM 0 H ARG B 20 98.413 -14.220 40.304 1.00 0.00 H new ATOM 0 HA ARG B 20 99.934 -12.823 38.357 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.567 -13.708 41.209 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.617 -12.653 40.284 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.720 -11.036 39.975 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.672 -12.090 40.903 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.213 -11.885 42.876 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.260 -10.830 41.948 1.00 0.00 H new ATOM 0 HE ARG B 20 98.738 -9.577 41.751 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.834 -10.797 44.268 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.309 -9.602 45.459 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.063 -8.049 43.276 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.753 -8.060 44.902 1.00 0.00 H new ATOM 1168 N ALA B 21 101.150 -15.775 39.220 1.00 0.00 N ATOM 1169 CA ALA B 21 102.130 -16.795 38.759 1.00 0.00 C ATOM 1170 C ALA B 21 101.734 -17.249 37.355 1.00 0.00 C ATOM 1171 O ALA B 21 102.559 -17.364 36.472 1.00 0.00 O ATOM 1172 CB ALA B 21 102.123 -17.992 39.714 1.00 0.00 C ATOM 0 H ALA B 21 100.566 -16.052 40.009 1.00 0.00 H new ATOM 0 HA ALA B 21 103.133 -16.368 38.743 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.843 -18.735 39.371 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.394 -17.660 40.716 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.127 -18.434 39.736 1.00 0.00 H new ATOM 1178 N MET B 22 100.468 -17.486 37.139 1.00 0.00 N ATOM 1179 CA MET B 22 100.006 -17.908 35.787 1.00 0.00 C ATOM 1180 C MET B 22 100.321 -16.798 34.784 1.00 0.00 C ATOM 1181 O MET B 22 100.871 -17.037 33.729 1.00 0.00 O ATOM 1182 CB MET B 22 98.497 -18.159 35.823 1.00 0.00 C ATOM 1183 CG MET B 22 98.033 -18.702 34.471 1.00 0.00 C ATOM 1184 SD MET B 22 96.275 -19.128 34.559 1.00 0.00 S ATOM 1185 CE MET B 22 95.644 -17.466 34.892 1.00 0.00 C ATOM 0 H MET B 22 99.733 -17.405 37.842 1.00 0.00 H new ATOM 0 HA MET B 22 100.516 -18.824 35.489 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.255 -18.870 36.614 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.970 -17.233 36.054 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.199 -17.957 33.692 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.618 -19.581 34.201 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.622 -17.384 34.523 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.658 -17.280 35.966 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.271 -16.731 34.388 1.00 0.00 H new ATOM 1195 N ALA B 23 99.987 -15.579 35.114 1.00 0.00 N ATOM 1196 CA ALA B 23 100.276 -14.452 34.183 1.00 0.00 C ATOM 1197 C ALA B 23 101.781 -14.386 33.931 1.00 0.00 C ATOM 1198 O ALA B 23 102.228 -14.156 32.825 1.00 0.00 O ATOM 1199 CB ALA B 23 99.802 -13.140 34.814 1.00 0.00 C ATOM 0 H ALA B 23 99.528 -15.316 35.986 1.00 0.00 H new ATOM 0 HA ALA B 23 99.754 -14.608 33.239 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.012 -12.313 34.135 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.729 -13.193 35.001 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.327 -12.979 35.756 1.00 0.00 H new ATOM 1205 N SER B 24 102.566 -14.592 34.952 1.00 0.00 N ATOM 1206 CA SER B 24 104.045 -14.549 34.780 1.00 0.00 C ATOM 1207 C SER B 24 104.492 -15.740 33.932 1.00 0.00 C ATOM 1208 O SER B 24 105.450 -15.661 33.189 1.00 0.00 O ATOM 1209 CB SER B 24 104.720 -14.613 36.150 1.00 0.00 C ATOM 1210 OG SER B 24 106.131 -14.617 35.978 1.00 0.00 O ATOM 0 H SER B 24 102.246 -14.789 35.900 1.00 0.00 H new ATOM 0 HA SER B 24 104.328 -13.622 34.281 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.418 -13.759 36.757 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.404 -15.510 36.682 1.00 0.00 H new ATOM 0 HG SER B 24 106.567 -14.656 36.855 1.00 0.00 H new ATOM 1216 N ASP B 25 103.806 -16.846 34.034 1.00 0.00 N ATOM 1217 CA ASP B 25 104.197 -18.039 33.234 1.00 0.00 C ATOM 1218 C ASP B 25 103.891 -17.764 31.765 1.00 0.00 C ATOM 1219 O ASP B 25 104.668 -18.076 30.885 1.00 0.00 O ATOM 1220 CB ASP B 25 103.380 -19.243 33.697 1.00 0.00 C ATOM 1221 CG ASP B 25 103.972 -20.525 33.107 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.806 -20.416 32.223 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.581 -21.591 33.548 1.00 0.00 O ATOM 0 H ASP B 25 102.993 -16.974 34.636 1.00 0.00 H new ATOM 0 HA ASP B 25 105.259 -18.245 33.364 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.380 -19.298 34.786 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.342 -19.133 33.384 1.00 0.00 H new ATOM 1228 N PHE B 26 102.764 -17.170 31.504 1.00 0.00 N ATOM 1229 CA PHE B 26 102.385 -16.847 30.096 1.00 0.00 C ATOM 1230 C PHE B 26 102.798 -15.407 29.781 1.00 0.00 C ATOM 1231 O PHE B 26 102.639 -14.933 28.673 1.00 0.00 O ATOM 1232 CB PHE B 26 100.873 -17.000 29.929 1.00 0.00 C ATOM 1233 CG PHE B 26 100.508 -18.467 29.936 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.488 -19.183 28.733 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.190 -19.114 31.140 1.00 0.00 C ATOM 1236 CE1 PHE B 26 100.149 -20.542 28.729 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.850 -20.474 31.135 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.830 -21.188 29.929 1.00 0.00 C ATOM 0 H PHE B 26 102.081 -16.891 32.208 1.00 0.00 H new ATOM 0 HA PHE B 26 102.892 -17.527 29.412 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.354 -16.482 30.735 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.552 -16.539 28.995 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.734 -18.686 27.806 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.207 -18.565 32.070 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.134 -21.092 27.799 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.603 -20.972 32.061 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.569 -22.236 29.926 1.00 0.00 H new ATOM 1248 N ASN B 27 103.341 -14.714 30.746 1.00 0.00 N ATOM 1249 CA ASN B 27 103.783 -13.307 30.511 1.00 0.00 C ATOM 1250 C ASN B 27 102.634 -12.480 29.918 1.00 0.00 C ATOM 1251 O ASN B 27 102.836 -11.697 29.011 1.00 0.00 O ATOM 1252 CB ASN B 27 104.969 -13.303 29.540 1.00 0.00 C ATOM 1253 CG ASN B 27 106.141 -14.071 30.155 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.724 -14.926 29.519 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.516 -13.800 31.376 1.00 0.00 N ATOM 0 H ASN B 27 103.498 -15.063 31.691 1.00 0.00 H new ATOM 0 HA ASN B 27 104.082 -12.865 31.462 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.679 -13.760 28.594 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.268 -12.278 29.320 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.297 -14.306 31.794 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.028 -13.082 31.912 1.00 0.00 H new ATOM 1262 N LEU B 28 101.430 -12.646 30.420 1.00 0.00 N ATOM 1263 CA LEU B 28 100.262 -11.868 29.882 1.00 0.00 C ATOM 1264 C LEU B 28 99.806 -10.817 30.919 1.00 0.00 C ATOM 1265 O LEU B 28 99.529 -11.164 32.050 1.00 0.00 O ATOM 1266 CB LEU B 28 99.094 -12.823 29.631 1.00 0.00 C ATOM 1267 CG LEU B 28 99.417 -13.772 28.467 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.447 -14.957 28.500 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.279 -13.039 27.118 1.00 0.00 C ATOM 0 H LEU B 28 101.205 -13.288 31.180 1.00 0.00 H new ATOM 0 HA LEU B 28 100.563 -11.374 28.958 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.888 -13.400 30.532 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.193 -12.253 29.404 1.00 0.00 H new ATOM 0 HG LEU B 28 100.443 -14.124 28.572 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.672 -15.634 27.676 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.554 -15.488 29.446 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.424 -14.593 28.402 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.512 -13.727 26.305 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.258 -12.675 27.005 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.970 -12.196 27.089 1.00 0.00 H new ATOM 1281 N PRO B 29 99.703 -9.547 30.560 1.00 0.00 N ATOM 1282 CA PRO B 29 99.247 -8.492 31.517 1.00 0.00 C ATOM 1283 C PRO B 29 97.990 -8.924 32.309 1.00 0.00 C ATOM 1284 O PRO B 29 97.211 -9.728 31.835 1.00 0.00 O ATOM 1285 CB PRO B 29 98.921 -7.299 30.609 1.00 0.00 C ATOM 1286 CG PRO B 29 99.819 -7.459 29.426 1.00 0.00 C ATOM 1287 CD PRO B 29 100.014 -8.969 29.233 1.00 0.00 C ATOM 0 HA PRO B 29 100.002 -8.275 32.272 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.872 -7.304 30.312 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.104 -6.353 31.119 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.376 -7.008 28.538 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.775 -6.962 29.593 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.350 -9.361 28.462 1.00 0.00 H new ATOM 0 HD3 PRO B 29 101.033 -9.203 28.925 1.00 0.00 H new ATOM 1295 N PRO B 30 97.784 -8.394 33.498 1.00 0.00 N ATOM 1296 CA PRO B 30 96.594 -8.741 34.338 1.00 0.00 C ATOM 1297 C PRO B 30 95.271 -8.778 33.545 1.00 0.00 C ATOM 1298 O PRO B 30 94.309 -9.387 33.969 1.00 0.00 O ATOM 1299 CB PRO B 30 96.548 -7.612 35.379 1.00 0.00 C ATOM 1300 CG PRO B 30 97.963 -7.149 35.525 1.00 0.00 C ATOM 1301 CD PRO B 30 98.657 -7.413 34.179 1.00 0.00 C ATOM 0 HA PRO B 30 96.692 -9.741 34.760 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.901 -6.799 35.049 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.151 -7.970 36.329 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.999 -6.089 35.777 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.464 -7.686 36.330 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.755 -6.497 33.596 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.663 -7.809 34.322 1.00 0.00 H new ATOM 1309 N VAL B 31 95.205 -8.116 32.420 1.00 0.00 N ATOM 1310 CA VAL B 31 93.927 -8.107 31.642 1.00 0.00 C ATOM 1311 C VAL B 31 93.489 -9.539 31.342 1.00 0.00 C ATOM 1312 O VAL B 31 92.413 -9.963 31.712 1.00 0.00 O ATOM 1313 CB VAL B 31 94.129 -7.359 30.313 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.902 -7.556 29.405 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.317 -5.865 30.590 1.00 0.00 C ATOM 0 H VAL B 31 95.972 -7.585 32.007 1.00 0.00 H new ATOM 0 HA VAL B 31 93.161 -7.606 32.234 1.00 0.00 H new ATOM 0 HB VAL B 31 95.013 -7.756 29.814 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.054 -7.023 28.467 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.767 -8.618 29.201 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.014 -7.167 29.903 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.460 -5.335 29.648 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.434 -5.475 31.095 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.191 -5.720 31.224 1.00 0.00 H new ATOM 1325 N VAL B 32 94.309 -10.277 30.659 1.00 0.00 N ATOM 1326 CA VAL B 32 93.938 -11.676 30.312 1.00 0.00 C ATOM 1327 C VAL B 32 93.942 -12.552 31.566 1.00 0.00 C ATOM 1328 O VAL B 32 93.081 -13.385 31.751 1.00 0.00 O ATOM 1329 CB VAL B 32 94.944 -12.221 29.302 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.684 -13.710 29.056 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.809 -11.450 27.989 1.00 0.00 C ATOM 0 H VAL B 32 95.223 -9.974 30.324 1.00 0.00 H new ATOM 0 HA VAL B 32 92.936 -11.687 29.882 1.00 0.00 H new ATOM 0 HB VAL B 32 95.953 -12.099 29.696 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.406 -14.091 28.334 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.785 -14.257 29.994 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.675 -13.843 28.665 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.526 -11.836 27.265 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.798 -11.570 27.599 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.006 -10.393 28.166 1.00 0.00 H new ATOM 1341 N ALA B 33 94.910 -12.382 32.422 1.00 0.00 N ATOM 1342 CA ALA B 33 94.966 -13.228 33.646 1.00 0.00 C ATOM 1343 C ALA B 33 93.699 -13.020 34.468 1.00 0.00 C ATOM 1344 O ALA B 33 93.033 -13.962 34.851 1.00 0.00 O ATOM 1345 CB ALA B 33 96.189 -12.838 34.476 1.00 0.00 C ATOM 0 H ALA B 33 95.661 -11.698 32.328 1.00 0.00 H new ATOM 0 HA ALA B 33 95.041 -14.278 33.362 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.232 -13.456 35.373 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.093 -12.991 33.886 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.115 -11.789 34.762 1.00 0.00 H new ATOM 1351 N LYS B 34 93.352 -11.798 34.730 1.00 0.00 N ATOM 1352 CA LYS B 34 92.119 -11.532 35.512 1.00 0.00 C ATOM 1353 C LYS B 34 90.919 -12.113 34.756 1.00 0.00 C ATOM 1354 O LYS B 34 90.009 -12.666 35.340 1.00 0.00 O ATOM 1355 CB LYS B 34 91.942 -10.022 35.687 1.00 0.00 C ATOM 1356 CG LYS B 34 93.030 -9.458 36.619 1.00 0.00 C ATOM 1357 CD LYS B 34 92.685 -9.725 38.091 1.00 0.00 C ATOM 1358 CE LYS B 34 93.647 -8.939 38.983 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.491 -7.482 38.714 1.00 0.00 N ATOM 0 H LYS B 34 93.869 -10.969 34.437 1.00 0.00 H new ATOM 0 HA LYS B 34 92.193 -11.997 36.495 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.994 -9.529 34.716 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.956 -9.811 36.100 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.991 -9.912 36.379 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.134 -8.386 36.455 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.656 -9.429 38.295 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.759 -10.791 38.307 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.442 -9.150 40.033 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.674 -9.248 38.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.740 -6.943 39.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.119 -7.204 37.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.505 -7.281 38.453 1.00 0.00 H new ATOM 1373 N GLU B 35 90.910 -11.974 33.456 1.00 0.00 N ATOM 1374 CA GLU B 35 89.770 -12.498 32.645 1.00 0.00 C ATOM 1375 C GLU B 35 89.662 -14.018 32.797 1.00 0.00 C ATOM 1376 O GLU B 35 88.579 -14.559 32.908 1.00 0.00 O ATOM 1377 CB GLU B 35 90.003 -12.165 31.167 1.00 0.00 C ATOM 1378 CG GLU B 35 88.744 -12.493 30.351 1.00 0.00 C ATOM 1379 CD GLU B 35 88.635 -14.006 30.133 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.649 -14.678 30.227 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.533 -14.470 29.884 1.00 0.00 O ATOM 0 H GLU B 35 91.647 -11.518 32.918 1.00 0.00 H new ATOM 0 HA GLU B 35 88.848 -12.035 32.997 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.252 -11.109 31.058 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.852 -12.734 30.787 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.859 -12.128 30.872 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.781 -11.981 29.389 1.00 0.00 H new ATOM 1388 N ILE B 36 90.765 -14.717 32.797 1.00 0.00 N ATOM 1389 CA ILE B 36 90.691 -16.199 32.936 1.00 0.00 C ATOM 1390 C ILE B 36 90.021 -16.518 34.271 1.00 0.00 C ATOM 1391 O ILE B 36 89.168 -17.379 34.364 1.00 0.00 O ATOM 1392 CB ILE B 36 92.103 -16.787 32.879 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.680 -16.570 31.479 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.055 -18.288 33.159 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.179 -16.864 31.493 1.00 0.00 C ATOM 0 H ILE B 36 91.705 -14.331 32.708 1.00 0.00 H new ATOM 0 HA ILE B 36 90.109 -16.637 32.125 1.00 0.00 H new ATOM 0 HB ILE B 36 92.724 -16.295 33.627 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.178 -17.220 30.763 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.503 -15.544 31.156 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.064 -18.698 33.116 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.635 -18.460 34.150 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.432 -18.778 32.411 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.589 -16.709 30.495 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.674 -16.195 32.197 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.344 -17.898 31.797 1.00 0.00 H new ATOM 1407 N VAL B 37 90.369 -15.793 35.297 1.00 0.00 N ATOM 1408 CA VAL B 37 89.724 -16.004 36.618 1.00 0.00 C ATOM 1409 C VAL B 37 88.253 -15.600 36.491 1.00 0.00 C ATOM 1410 O VAL B 37 87.366 -16.241 37.018 1.00 0.00 O ATOM 1411 CB VAL B 37 90.429 -15.130 37.662 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.629 -15.132 38.963 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.828 -15.695 37.927 1.00 0.00 C ATOM 0 H VAL B 37 91.077 -15.059 35.275 1.00 0.00 H new ATOM 0 HA VAL B 37 89.795 -17.046 36.929 1.00 0.00 H new ATOM 0 HB VAL B 37 90.505 -14.109 37.288 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.134 -14.510 39.702 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.631 -14.736 38.777 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.551 -16.152 39.340 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.335 -15.078 38.669 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.744 -16.716 38.300 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.402 -15.694 37.001 1.00 0.00 H new ATOM 1423 N ALA B 38 87.999 -14.534 35.781 1.00 0.00 N ATOM 1424 CA ALA B 38 86.600 -14.058 35.587 1.00 0.00 C ATOM 1425 C ALA B 38 85.771 -15.123 34.855 1.00 0.00 C ATOM 1426 O ALA B 38 84.556 -15.079 34.858 1.00 0.00 O ATOM 1427 CB ALA B 38 86.617 -12.771 34.758 1.00 0.00 C ATOM 0 H ALA B 38 88.711 -13.966 35.322 1.00 0.00 H new ATOM 0 HA ALA B 38 86.150 -13.869 36.562 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.596 -12.418 34.613 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.193 -12.008 35.282 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.074 -12.969 33.788 1.00 0.00 H new ATOM 1433 N SER B 39 86.411 -16.066 34.211 1.00 0.00 N ATOM 1434 CA SER B 39 85.643 -17.113 33.465 1.00 0.00 C ATOM 1435 C SER B 39 85.436 -18.337 34.357 1.00 0.00 C ATOM 1436 O SER B 39 84.381 -18.938 34.362 1.00 0.00 O ATOM 1437 CB SER B 39 86.426 -17.524 32.216 1.00 0.00 C ATOM 1438 OG SER B 39 86.628 -16.384 31.390 1.00 0.00 O ATOM 0 H SER B 39 87.426 -16.158 34.168 1.00 0.00 H new ATOM 0 HA SER B 39 84.673 -16.709 33.175 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.386 -17.956 32.500 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.881 -18.292 31.668 1.00 0.00 H new ATOM 0 HG SER B 39 87.258 -15.772 31.825 1.00 0.00 H new ATOM 1444 N CYS B 40 86.426 -18.707 35.117 1.00 0.00 N ATOM 1445 CA CYS B 40 86.266 -19.888 36.011 1.00 0.00 C ATOM 1446 C CYS B 40 85.112 -19.624 36.984 1.00 0.00 C ATOM 1447 O CYS B 40 85.020 -18.569 37.578 1.00 0.00 O ATOM 1448 CB CYS B 40 87.560 -20.123 36.787 1.00 0.00 C ATOM 1449 SG CYS B 40 87.563 -21.808 37.447 1.00 0.00 S ATOM 0 H CYS B 40 87.335 -18.247 35.159 1.00 0.00 H new ATOM 0 HA CYS B 40 86.045 -20.775 35.417 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.421 -19.974 36.135 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.647 -19.402 37.600 1.00 0.00 H new ATOM 1454 N ASP B 41 84.227 -20.568 37.141 1.00 0.00 N ATOM 1455 CA ASP B 41 83.067 -20.372 38.061 1.00 0.00 C ATOM 1456 C ASP B 41 83.493 -20.498 39.526 1.00 0.00 C ATOM 1457 O ASP B 41 82.967 -19.825 40.389 1.00 0.00 O ATOM 1458 CB ASP B 41 81.999 -21.424 37.759 1.00 0.00 C ATOM 1459 CG ASP B 41 81.350 -21.121 36.410 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.324 -19.961 36.033 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.885 -22.054 35.776 1.00 0.00 O ATOM 0 H ASP B 41 84.256 -21.472 36.670 1.00 0.00 H new ATOM 0 HA ASP B 41 82.670 -19.369 37.901 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.447 -22.418 37.744 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.244 -21.427 38.545 1.00 0.00 H new ATOM 1466 N LYS B 42 84.418 -21.364 39.824 1.00 0.00 N ATOM 1467 CA LYS B 42 84.836 -21.536 41.246 1.00 0.00 C ATOM 1468 C LYS B 42 85.599 -20.297 41.718 1.00 0.00 C ATOM 1469 O LYS B 42 85.433 -19.845 42.833 1.00 0.00 O ATOM 1470 CB LYS B 42 85.741 -22.763 41.367 1.00 0.00 C ATOM 1471 CG LYS B 42 84.932 -24.030 41.078 1.00 0.00 C ATOM 1472 CD LYS B 42 85.839 -25.255 41.200 1.00 0.00 C ATOM 1473 CE LYS B 42 85.030 -26.520 40.911 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.896 -26.613 41.872 1.00 0.00 N ATOM 0 H LYS B 42 84.902 -21.958 39.151 1.00 0.00 H new ATOM 0 HA LYS B 42 83.949 -21.671 41.865 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.573 -22.684 40.668 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.170 -22.814 42.368 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.100 -24.110 41.777 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.504 -23.980 40.077 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.671 -25.175 40.501 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.267 -25.305 42.201 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.653 -26.498 39.888 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.667 -27.400 40.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.545 -27.592 41.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.220 -26.333 42.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.130 -25.980 41.567 1.00 0.00 H new ATOM 1488 N CYS B 43 86.438 -19.742 40.886 1.00 0.00 N ATOM 1489 CA CYS B 43 87.207 -18.532 41.300 1.00 0.00 C ATOM 1490 C CYS B 43 86.374 -17.269 41.045 1.00 0.00 C ATOM 1491 O CYS B 43 86.793 -16.171 41.350 1.00 0.00 O ATOM 1492 CB CYS B 43 88.514 -18.455 40.510 1.00 0.00 C ATOM 1493 SG CYS B 43 89.383 -20.041 40.623 1.00 0.00 S ATOM 0 H CYS B 43 86.624 -20.073 39.939 1.00 0.00 H new ATOM 0 HA CYS B 43 87.433 -18.601 42.364 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.307 -18.215 39.467 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.142 -17.655 40.903 1.00 0.00 H new ATOM 1498 N GLN B 44 85.203 -17.410 40.478 1.00 0.00 N ATOM 1499 CA GLN B 44 84.362 -16.207 40.197 1.00 0.00 C ATOM 1500 C GLN B 44 83.933 -15.549 41.513 1.00 0.00 C ATOM 1501 O GLN B 44 84.090 -14.359 41.700 1.00 0.00 O ATOM 1502 CB GLN B 44 83.118 -16.638 39.409 1.00 0.00 C ATOM 1503 CG GLN B 44 82.255 -15.418 39.058 1.00 0.00 C ATOM 1504 CD GLN B 44 83.047 -14.451 38.177 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.056 -13.179 38.475 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.657 -14.852 37.206 1.00 0.00 N flip ATOM 0 H GLN B 44 84.794 -18.302 40.199 1.00 0.00 H new ATOM 0 HA GLN B 44 84.939 -15.489 39.614 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.419 -17.153 38.497 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.535 -17.346 39.997 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.352 -15.739 38.539 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.936 -14.914 39.970 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.650 -15.845 36.974 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.176 -14.196 36.623 1.00 0.00 H new ATOM 1515 N LEU B 45 83.398 -16.309 42.428 1.00 0.00 N ATOM 1516 CA LEU B 45 82.968 -15.721 43.732 1.00 0.00 C ATOM 1517 C LEU B 45 84.176 -15.649 44.669 1.00 0.00 C ATOM 1518 O LEU B 45 85.121 -16.402 44.535 1.00 0.00 O ATOM 1519 CB LEU B 45 81.871 -16.590 44.359 1.00 0.00 C ATOM 1520 CG LEU B 45 80.616 -16.582 43.471 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.575 -17.536 44.071 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.026 -15.158 43.388 1.00 0.00 C ATOM 0 H LEU B 45 83.239 -17.312 42.331 1.00 0.00 H new ATOM 0 HA LEU B 45 82.571 -14.719 43.570 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.232 -17.611 44.482 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.625 -16.217 45.353 1.00 0.00 H new ATOM 0 HG LEU B 45 80.885 -16.907 42.466 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.681 -17.537 43.448 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.988 -18.544 44.115 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.316 -17.206 45.077 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.138 -15.168 42.756 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.756 -14.817 44.388 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.767 -14.481 42.962 1.00 0.00 H new ATOM 1534 N LYS B 46 84.161 -14.742 45.609 1.00 0.00 N ATOM 1535 CA LYS B 46 85.318 -14.615 46.544 1.00 0.00 C ATOM 1536 C LYS B 46 85.255 -15.732 47.591 1.00 0.00 C ATOM 1537 O LYS B 46 86.211 -15.994 48.293 1.00 0.00 O ATOM 1538 CB LYS B 46 85.248 -13.250 47.241 1.00 0.00 C ATOM 1539 CG LYS B 46 86.539 -12.995 48.025 1.00 0.00 C ATOM 1540 CD LYS B 46 86.460 -11.631 48.717 1.00 0.00 C ATOM 1541 CE LYS B 46 87.751 -11.381 49.499 1.00 0.00 C ATOM 1542 NZ LYS B 46 87.818 -12.321 50.653 1.00 0.00 N ATOM 0 H LYS B 46 83.399 -14.084 45.770 1.00 0.00 H new ATOM 0 HA LYS B 46 86.253 -14.697 45.989 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.100 -12.462 46.502 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.392 -13.220 47.915 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.688 -13.781 48.765 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.396 -13.024 47.352 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.312 -10.844 47.978 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.603 -11.602 49.390 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.616 -11.521 48.850 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.782 -10.350 49.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.508 -11.970 51.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 86.881 -12.389 51.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.111 -13.261 50.318 1.00 0.00 H new ATOM 1556 N GLY B 47 84.139 -16.399 47.695 1.00 0.00 N ATOM 1557 CA GLY B 47 84.016 -17.502 48.693 1.00 0.00 C ATOM 1558 C GLY B 47 82.552 -17.653 49.104 1.00 0.00 C ATOM 1559 O GLY B 47 81.658 -17.596 48.283 1.00 0.00 O ATOM 0 H GLY B 47 83.305 -16.229 47.132 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.384 -18.435 48.267 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.630 -17.287 49.567 1.00 0.00 H new ATOM 1563 N GLU B 48 82.298 -17.847 50.369 1.00 0.00 N ATOM 1564 CA GLU B 48 80.888 -18.005 50.833 1.00 0.00 C ATOM 1565 C GLU B 48 80.273 -16.625 51.083 1.00 0.00 C ATOM 1566 O GLU B 48 80.647 -15.924 52.001 1.00 0.00 O ATOM 1567 CB GLU B 48 80.880 -18.812 52.132 1.00 0.00 C ATOM 1568 CG GLU B 48 81.361 -20.237 51.848 1.00 0.00 C ATOM 1569 CD GLU B 48 81.354 -21.047 53.145 1.00 0.00 C ATOM 1570 OE1 GLU B 48 81.103 -20.460 54.185 1.00 0.00 O ATOM 1571 OE2 GLU B 48 81.595 -22.241 53.075 1.00 0.00 O ATOM 0 H GLU B 48 83.005 -17.903 51.102 1.00 0.00 H new ATOM 0 HA GLU B 48 80.305 -18.524 50.072 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.526 -18.339 52.871 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.875 -18.833 52.554 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.715 -20.710 51.108 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.366 -20.215 51.426 1.00 0.00 H new ATOM 1578 N ALA B 49 79.330 -16.233 50.268 1.00 0.00 N ATOM 1579 CA ALA B 49 78.687 -14.901 50.451 1.00 0.00 C ATOM 1580 C ALA B 49 77.628 -14.980 51.555 1.00 0.00 C ATOM 1581 O ALA B 49 76.474 -14.666 51.344 1.00 0.00 O ATOM 1582 CB ALA B 49 78.026 -14.470 49.140 1.00 0.00 C ATOM 0 H ALA B 49 78.977 -16.780 49.482 1.00 0.00 H new ATOM 0 HA ALA B 49 79.446 -14.173 50.735 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.555 -13.496 49.273 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.781 -14.405 48.356 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.270 -15.202 48.856 1.00 0.00 H new ATOM 1588 N MET B 50 78.011 -15.389 52.732 1.00 0.00 N ATOM 1589 CA MET B 50 77.029 -15.478 53.849 1.00 0.00 C ATOM 1590 C MET B 50 77.788 -15.505 55.172 1.00 0.00 C ATOM 1591 O MET B 50 77.208 -15.619 56.234 1.00 0.00 O ATOM 1592 CB MET B 50 76.196 -16.756 53.709 1.00 0.00 C ATOM 1593 CG MET B 50 77.125 -17.966 53.626 1.00 0.00 C ATOM 1594 SD MET B 50 76.142 -19.476 53.461 1.00 0.00 S ATOM 1595 CE MET B 50 77.530 -20.631 53.334 1.00 0.00 C ATOM 0 H MET B 50 78.963 -15.666 52.969 1.00 0.00 H new ATOM 0 HA MET B 50 76.362 -14.616 53.821 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.523 -16.859 54.560 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.574 -16.701 52.816 1.00 0.00 H new ATOM 0 HG2 MET B 50 77.798 -17.863 52.774 1.00 0.00 H new ATOM 0 HG3 MET B 50 77.748 -18.021 54.519 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.150 -21.648 53.241 1.00 0.00 H new ATOM 0 HE2 MET B 50 78.128 -20.386 52.457 1.00 0.00 H new ATOM 0 HE3 MET B 50 78.149 -20.556 54.228 1.00 0.00 H new ATOM 1605 N HIS B 51 79.089 -15.402 55.115 1.00 0.00 N ATOM 1606 CA HIS B 51 79.900 -15.419 56.363 1.00 0.00 C ATOM 1607 C HIS B 51 81.207 -14.661 56.127 1.00 0.00 C ATOM 1608 O HIS B 51 81.715 -14.605 55.026 1.00 0.00 O ATOM 1609 CB HIS B 51 80.212 -16.866 56.756 1.00 0.00 C ATOM 1610 CG HIS B 51 80.695 -16.905 58.179 1.00 0.00 C ATOM 1611 ND1 HIS B 51 82.037 -16.781 58.512 1.00 0.00 N ATOM 1612 CD2 HIS B 51 80.024 -17.050 59.370 1.00 0.00 C ATOM 1613 CE1 HIS B 51 82.130 -16.851 59.852 1.00 0.00 C ATOM 1614 NE2 HIS B 51 80.934 -17.016 60.420 1.00 0.00 N ATOM 0 H HIS B 51 79.626 -15.306 54.253 1.00 0.00 H new ATOM 0 HA HIS B 51 79.339 -14.941 57.167 1.00 0.00 H new ATOM 0 HB2 HIS B 51 79.321 -17.484 56.646 1.00 0.00 H new ATOM 0 HB3 HIS B 51 80.971 -17.279 56.092 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.956 -17.171 59.474 1.00 0.00 H new ATOM 0 HE1 HIS B 51 83.058 -16.782 60.400 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.730 -17.100 61.416 1.00 0.00 H new ATOM 1623 N GLY B 52 81.749 -14.073 57.156 1.00 0.00 N ATOM 1624 CA GLY B 52 83.021 -13.307 57.012 1.00 0.00 C ATOM 1625 C GLY B 52 83.004 -12.148 58.003 1.00 0.00 C ATOM 1626 O GLY B 52 83.571 -11.099 57.766 1.00 0.00 O ATOM 0 H GLY B 52 81.363 -14.090 58.100 1.00 0.00 H new ATOM 0 HA2 GLY B 52 83.877 -13.955 57.202 1.00 0.00 H new ATOM 0 HA3 GLY B 52 83.124 -12.933 55.993 1.00 0.00 H new ATOM 1630 N GLN B 53 82.345 -12.331 59.113 1.00 0.00 N ATOM 1631 CA GLN B 53 82.271 -11.248 60.128 1.00 0.00 C ATOM 1632 C GLN B 53 83.574 -11.211 60.924 1.00 0.00 C ATOM 1633 O GLN B 53 84.055 -12.224 61.394 1.00 0.00 O ATOM 1634 CB GLN B 53 81.104 -11.526 61.077 1.00 0.00 C ATOM 1635 CG GLN B 53 80.941 -10.356 62.047 1.00 0.00 C ATOM 1636 CD GLN B 53 79.726 -10.605 62.942 1.00 0.00 C ATOM 1637 OE1 GLN B 53 78.873 -11.407 62.618 1.00 0.00 O ATOM 1638 NE2 GLN B 53 79.611 -9.951 64.064 1.00 0.00 N ATOM 0 H GLN B 53 81.853 -13.189 59.360 1.00 0.00 H new ATOM 0 HA GLN B 53 82.120 -10.289 59.632 1.00 0.00 H new ATOM 0 HB2 GLN B 53 80.186 -11.670 60.508 1.00 0.00 H new ATOM 0 HB3 GLN B 53 81.284 -12.448 61.630 1.00 0.00 H new ATOM 0 HG2 GLN B 53 81.839 -10.246 62.656 1.00 0.00 H new ATOM 0 HG3 GLN B 53 80.815 -9.425 61.494 1.00 0.00 H new ATOM 0 HE21 GLN B 53 80.326 -9.277 64.337 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.806 -10.113 64.669 1.00 0.00 H new ATOM 1647 N VAL B 54 84.151 -10.051 61.079 1.00 0.00 N ATOM 1648 CA VAL B 54 85.428 -9.942 61.847 1.00 0.00 C ATOM 1649 C VAL B 54 85.117 -9.543 63.290 1.00 0.00 C ATOM 1650 O VAL B 54 84.321 -8.661 63.544 1.00 0.00 O ATOM 1651 CB VAL B 54 86.320 -8.876 61.205 1.00 0.00 C ATOM 1652 CG1 VAL B 54 85.658 -7.503 61.333 1.00 0.00 C ATOM 1653 CG2 VAL B 54 87.677 -8.857 61.915 1.00 0.00 C ATOM 0 H VAL B 54 83.794 -9.171 60.707 1.00 0.00 H new ATOM 0 HA VAL B 54 85.944 -10.902 61.836 1.00 0.00 H new ATOM 0 HB VAL B 54 86.461 -9.109 60.150 1.00 0.00 H new ATOM 0 HG11 VAL B 54 86.296 -6.747 60.875 1.00 0.00 H new ATOM 0 HG12 VAL B 54 84.692 -7.516 60.829 1.00 0.00 H new ATOM 0 HG13 VAL B 54 85.514 -7.265 62.387 1.00 0.00 H new ATOM 0 HG21 VAL B 54 88.315 -8.099 61.460 1.00 0.00 H new ATOM 0 HG22 VAL B 54 87.532 -8.624 62.970 1.00 0.00 H new ATOM 0 HG23 VAL B 54 88.151 -9.834 61.821 1.00 0.00 H new ATOM 1663 N ASP B 55 85.740 -10.186 64.238 1.00 0.00 N ATOM 1664 CA ASP B 55 85.488 -9.845 65.668 1.00 0.00 C ATOM 1665 C ASP B 55 86.454 -8.741 66.100 1.00 0.00 C ATOM 1666 O ASP B 55 86.019 -7.837 66.795 1.00 0.00 O ATOM 1667 CB ASP B 55 85.713 -11.087 66.533 1.00 0.00 C ATOM 1668 CG ASP B 55 87.100 -11.665 66.245 1.00 0.00 C ATOM 1669 OD1 ASP B 55 87.633 -11.371 65.186 1.00 0.00 O ATOM 1670 OD2 ASP B 55 87.605 -12.388 67.086 1.00 0.00 O ATOM 1671 OXT ASP B 55 87.613 -8.816 65.727 1.00 0.00 O ATOM 0 H ASP B 55 86.415 -10.935 64.085 1.00 0.00 H new ATOM 0 HA ASP B 55 84.461 -9.500 65.788 1.00 0.00 H new ATOM 0 HB2 ASP B 55 85.627 -10.829 67.588 1.00 0.00 H new ATOM 0 HB3 ASP B 55 84.946 -11.833 66.324 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.853 -1.602 36.025 1.00 0.00 CD HETATM 1678 CD CD B 56 89.809 -21.729 38.631 1.00 0.00 CD