USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 119 CYS SG : rot -177:sc= -0.447 USER MOD Set 1.2: A 127 ASN : amide:sc= -0.875 K(o=-1.3,f=-8!) USER MOD Set 2.1: A 104 GLN : amide:sc= -6! C(o=-8.6!,f=-8.6!) USER MOD Set 2.2: A 108 ASN : amide:sc= -2.64 K(o=-8.6,f=-11!) USER MOD Set 3.1: A 64 ASN : amide:sc= -0.236 K(o=-0.71,f=-6.6!) USER MOD Set 3.2: A 72 MET CE :methyl -178:sc= -0.474 (180deg=-0.423) USER MOD Single : A 9 GLN : amide:sc= -0.693 K(o=-0.69,f=-0.19) USER MOD Single : A 13 GLN : amide:sc= 0.0598 X(o=0.06,f=-0.022) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -132:sc= -0.147 (180deg=-1.49) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.956 K(o=-0.96,f=-0.014) USER MOD Single : A 35 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -67:sc= -2.32 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.41! K(o=-3.4!,f=-1.4) USER MOD Single : A 63 MET CE :methyl -141:sc= -1.58 (180deg=-3.3!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc=-0.00573 (180deg=-0.281) USER MOD Single : A 74 MET CE :methyl -134:sc= -1.72 (180deg=-3.95!) USER MOD Single : A 76 SER OG : rot 28:sc= -0.13 USER MOD Single : A 79 CYS SG : rot 43:sc= 0.771 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 120:sc= 0.0284 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.32) USER MOD Single : A 105 THR OG1 : rot 87:sc= 0.993 USER MOD Single : A 106 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.0049) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-1) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 CYS SG : rot 31:sc= 0.519 USER MOD Single : A 129 THR OG1 : rot -16:sc= 1.17 USER MOD Single : A 135 HIS : no HD1:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : A 137 SER OG : rot 180:sc= -0.192 USER MOD Single : A 139 TYR OH : rot 165:sc= -3.04 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.003 22.431 4.204 1.00 0.00 N ATOM 67 CA GLU A 8 -2.718 21.340 5.129 1.00 0.00 C ATOM 68 C GLU A 8 -2.761 19.994 4.412 1.00 0.00 C ATOM 69 O GLU A 8 -1.970 19.098 4.705 1.00 0.00 O ATOM 70 CB GLU A 8 -3.720 21.347 6.285 1.00 0.00 C ATOM 71 CG GLU A 8 -5.161 21.151 5.843 1.00 0.00 C ATOM 72 CD GLU A 8 -6.150 21.337 6.978 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.252 20.430 7.830 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.821 22.389 7.013 1.00 0.00 O ATOM 0 HA GLU A 8 -1.714 21.488 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.455 20.559 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.638 22.293 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.392 21.857 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.276 20.151 5.426 1.00 0.00 H new ATOM 81 N GLN A 9 -3.691 19.861 3.472 1.00 0.00 N ATOM 82 CA GLN A 9 -3.839 18.624 2.714 1.00 0.00 C ATOM 83 C GLN A 9 -2.482 18.106 2.248 1.00 0.00 C ATOM 84 O GLN A 9 -2.142 16.944 2.467 1.00 0.00 O ATOM 85 CB GLN A 9 -4.756 18.845 1.510 1.00 0.00 C ATOM 86 CG GLN A 9 -5.326 17.558 0.935 1.00 0.00 C ATOM 87 CD GLN A 9 -6.402 17.810 -0.104 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.106 18.054 -1.274 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.659 17.752 0.320 1.00 0.00 N ATOM 0 H GLN A 9 -4.353 20.594 3.217 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.287 17.877 3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.578 19.497 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.200 19.366 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.521 16.977 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.740 16.955 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.858 17.547 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.426 17.913 -0.333 1.00 0.00 H new ATOM 98 N ALA A 10 -1.713 18.976 1.602 1.00 0.00 N ATOM 99 CA ALA A 10 -0.393 18.607 1.106 1.00 0.00 C ATOM 100 C ALA A 10 0.426 17.912 2.188 1.00 0.00 C ATOM 101 O ALA A 10 1.100 16.917 1.926 1.00 0.00 O ATOM 102 CB ALA A 10 0.342 19.838 0.595 1.00 0.00 C ATOM 0 H ALA A 10 -1.981 19.941 1.410 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.525 17.907 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.326 19.548 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.228 20.292 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.455 20.557 1.406 1.00 0.00 H new ATOM 108 N GLU A 11 0.363 18.443 3.405 1.00 0.00 N ATOM 109 CA GLU A 11 1.100 17.873 4.526 1.00 0.00 C ATOM 110 C GLU A 11 0.519 16.521 4.929 1.00 0.00 C ATOM 111 O GLU A 11 1.256 15.575 5.206 1.00 0.00 O ATOM 112 CB GLU A 11 1.073 18.828 5.722 1.00 0.00 C ATOM 113 CG GLU A 11 1.479 20.250 5.374 1.00 0.00 C ATOM 114 CD GLU A 11 1.673 21.119 6.602 1.00 0.00 C ATOM 115 OE1 GLU A 11 0.702 21.284 7.370 1.00 0.00 O ATOM 116 OE2 GLU A 11 2.794 21.633 6.795 1.00 0.00 O ATOM 0 H GLU A 11 -0.191 19.267 3.639 1.00 0.00 H new ATOM 0 HA GLU A 11 2.133 17.726 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.068 18.839 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.740 18.447 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.404 20.229 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.716 20.695 4.735 1.00 0.00 H new ATOM 123 N ALA A 12 -0.807 16.438 4.958 1.00 0.00 N ATOM 124 CA ALA A 12 -1.487 15.202 5.324 1.00 0.00 C ATOM 125 C ALA A 12 -0.890 14.008 4.588 1.00 0.00 C ATOM 126 O ALA A 12 -0.538 13.002 5.204 1.00 0.00 O ATOM 127 CB ALA A 12 -2.977 15.314 5.033 1.00 0.00 C ATOM 0 H ALA A 12 -1.432 17.212 4.732 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.348 15.042 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.473 14.384 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.399 16.137 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.127 15.501 3.970 1.00 0.00 H new ATOM 133 N GLN A 13 -0.780 14.126 3.269 1.00 0.00 N ATOM 134 CA GLN A 13 -0.226 13.054 2.450 1.00 0.00 C ATOM 135 C GLN A 13 1.260 12.865 2.733 1.00 0.00 C ATOM 136 O GLN A 13 1.679 11.822 3.238 1.00 0.00 O ATOM 137 CB GLN A 13 -0.440 13.356 0.966 1.00 0.00 C ATOM 138 CG GLN A 13 -1.888 13.225 0.521 1.00 0.00 C ATOM 139 CD GLN A 13 -2.116 13.743 -0.885 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.337 13.461 -1.797 1.00 0.00 O ATOM 141 NE2 GLN A 13 -3.187 14.506 -1.069 1.00 0.00 N ATOM 0 H GLN A 13 -1.067 14.953 2.745 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.746 12.130 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.094 14.368 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.176 12.680 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.186 12.178 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.528 13.772 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.806 14.714 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.391 14.884 -1.994 1.00 0.00 H new ATOM 150 N LEU A 14 2.054 13.879 2.405 1.00 0.00 N ATOM 151 CA LEU A 14 3.495 13.824 2.625 1.00 0.00 C ATOM 152 C LEU A 14 3.818 13.161 3.959 1.00 0.00 C ATOM 153 O LEU A 14 4.499 12.137 4.006 1.00 0.00 O ATOM 154 CB LEU A 14 4.090 15.233 2.585 1.00 0.00 C ATOM 155 CG LEU A 14 5.568 15.348 2.961 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.427 14.534 2.006 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.006 16.805 2.965 1.00 0.00 C ATOM 0 H LEU A 14 1.724 14.749 1.986 1.00 0.00 H new ATOM 0 HA LEU A 14 3.937 13.226 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.959 15.633 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.514 15.868 3.258 1.00 0.00 H new ATOM 0 HG LEU A 14 5.699 14.947 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.475 14.628 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.131 13.486 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.291 14.904 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.060 16.867 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.859 17.232 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.412 17.361 3.690 1.00 0.00 H new ATOM 169 N ALA A 15 3.323 13.750 5.043 1.00 0.00 N ATOM 170 CA ALA A 15 3.556 13.214 6.378 1.00 0.00 C ATOM 171 C ALA A 15 3.583 11.689 6.360 1.00 0.00 C ATOM 172 O ALA A 15 4.583 11.073 6.728 1.00 0.00 O ATOM 173 CB ALA A 15 2.489 13.714 7.341 1.00 0.00 C ATOM 0 H ALA A 15 2.758 14.599 5.022 1.00 0.00 H new ATOM 0 HA ALA A 15 4.530 13.565 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.675 13.306 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.519 14.803 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.507 13.392 6.995 1.00 0.00 H new ATOM 179 N GLU A 16 2.478 11.087 5.931 1.00 0.00 N ATOM 180 CA GLU A 16 2.376 9.634 5.867 1.00 0.00 C ATOM 181 C GLU A 16 3.546 9.040 5.087 1.00 0.00 C ATOM 182 O GLU A 16 4.268 8.178 5.589 1.00 0.00 O ATOM 183 CB GLU A 16 1.054 9.221 5.218 1.00 0.00 C ATOM 184 CG GLU A 16 0.702 7.759 5.431 1.00 0.00 C ATOM 185 CD GLU A 16 0.487 7.417 6.893 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.163 8.215 7.600 1.00 0.00 O ATOM 187 OE2 GLU A 16 0.970 6.351 7.330 1.00 0.00 O ATOM 0 H GLU A 16 1.642 11.583 5.623 1.00 0.00 H new ATOM 0 HA GLU A 16 2.408 9.248 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.253 9.841 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.106 9.421 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.202 7.521 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.500 7.135 5.029 1.00 0.00 H new ATOM 194 N LEU A 17 3.726 9.507 3.857 1.00 0.00 N ATOM 195 CA LEU A 17 4.807 9.023 3.005 1.00 0.00 C ATOM 196 C LEU A 17 6.129 8.996 3.766 1.00 0.00 C ATOM 197 O LEU A 17 6.711 7.933 3.981 1.00 0.00 O ATOM 198 CB LEU A 17 4.939 9.906 1.763 1.00 0.00 C ATOM 199 CG LEU A 17 3.849 9.740 0.703 1.00 0.00 C ATOM 200 CD1 LEU A 17 3.886 10.894 -0.286 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.006 8.410 -0.020 1.00 0.00 C ATOM 0 H LEU A 17 3.137 10.220 3.427 1.00 0.00 H new ATOM 0 HA LEU A 17 4.565 8.006 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.952 10.948 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.904 9.703 1.298 1.00 0.00 H new ATOM 0 HG LEU A 17 2.880 9.747 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.103 10.759 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.724 11.833 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.858 10.919 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.222 8.309 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.981 8.373 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.928 7.594 0.698 1.00 0.00 H new ATOM 213 N ASP A 18 6.596 10.172 4.172 1.00 0.00 N ATOM 214 CA ASP A 18 7.847 10.283 4.912 1.00 0.00 C ATOM 215 C ASP A 18 7.970 9.165 5.944 1.00 0.00 C ATOM 216 O ASP A 18 8.945 8.412 5.946 1.00 0.00 O ATOM 217 CB ASP A 18 7.937 11.644 5.603 1.00 0.00 C ATOM 218 CG ASP A 18 9.258 11.845 6.319 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.313 11.591 5.700 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.238 12.256 7.498 1.00 0.00 O ATOM 0 H ASP A 18 6.127 11.061 4.001 1.00 0.00 H new ATOM 0 HA ASP A 18 8.669 10.190 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.805 12.433 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.121 11.739 6.319 1.00 0.00 H new ATOM 225 N LEU A 19 6.976 9.064 6.819 1.00 0.00 N ATOM 226 CA LEU A 19 6.972 8.039 7.857 1.00 0.00 C ATOM 227 C LEU A 19 7.214 6.657 7.259 1.00 0.00 C ATOM 228 O LEU A 19 8.210 6.001 7.567 1.00 0.00 O ATOM 229 CB LEU A 19 5.642 8.055 8.612 1.00 0.00 C ATOM 230 CG LEU A 19 5.677 7.523 10.045 1.00 0.00 C ATOM 231 CD1 LEU A 19 4.522 8.093 10.855 1.00 0.00 C ATOM 232 CD2 LEU A 19 5.634 6.002 10.051 1.00 0.00 C ATOM 0 H LEU A 19 6.162 9.679 6.831 1.00 0.00 H new ATOM 0 HA LEU A 19 7.781 8.259 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.273 9.080 8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.919 7.469 8.046 1.00 0.00 H new ATOM 0 HG LEU A 19 6.611 7.842 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.563 7.703 11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.597 9.180 10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.577 7.805 10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.660 5.641 11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.717 5.662 9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.495 5.612 9.508 1.00 0.00 H new ATOM 244 N LEU A 20 6.298 6.221 6.401 1.00 0.00 N ATOM 245 CA LEU A 20 6.413 4.917 5.757 1.00 0.00 C ATOM 246 C LEU A 20 7.870 4.590 5.446 1.00 0.00 C ATOM 247 O LEU A 20 8.405 3.586 5.918 1.00 0.00 O ATOM 248 CB LEU A 20 5.586 4.888 4.470 1.00 0.00 C ATOM 249 CG LEU A 20 4.085 4.659 4.642 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.326 5.148 3.418 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.795 3.187 4.898 1.00 0.00 C ATOM 0 H LEU A 20 5.468 6.751 6.135 1.00 0.00 H new ATOM 0 HA LEU A 20 6.030 4.164 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.731 5.833 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.981 4.103 3.825 1.00 0.00 H new ATOM 0 HG LEU A 20 3.747 5.231 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.259 4.976 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.507 6.214 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.667 4.605 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.721 3.043 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.148 2.594 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.307 2.868 5.806 1.00 0.00 H new ATOM 263 N ALA A 21 8.507 5.444 4.652 1.00 0.00 N ATOM 264 CA ALA A 21 9.903 5.247 4.283 1.00 0.00 C ATOM 265 C ALA A 21 10.692 4.622 5.428 1.00 0.00 C ATOM 266 O ALA A 21 11.496 3.714 5.218 1.00 0.00 O ATOM 267 CB ALA A 21 10.531 6.570 3.868 1.00 0.00 C ATOM 0 H ALA A 21 8.079 6.279 4.252 1.00 0.00 H new ATOM 0 HA ALA A 21 9.935 4.560 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.574 6.408 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.991 6.977 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.479 7.274 4.698 1.00 0.00 H new ATOM 273 N SER A 22 10.456 5.114 6.640 1.00 0.00 N ATOM 274 CA SER A 22 11.148 4.606 7.819 1.00 0.00 C ATOM 275 C SER A 22 10.569 3.262 8.252 1.00 0.00 C ATOM 276 O SER A 22 11.302 2.357 8.649 1.00 0.00 O ATOM 277 CB SER A 22 11.047 5.611 8.968 1.00 0.00 C ATOM 278 OG SER A 22 12.147 5.485 9.853 1.00 0.00 O ATOM 0 H SER A 22 9.791 5.864 6.831 1.00 0.00 H new ATOM 0 HA SER A 22 12.197 4.464 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.013 6.624 8.567 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.117 5.452 9.514 1.00 0.00 H new ATOM 0 HG SER A 22 12.060 6.139 10.578 1.00 0.00 H new ATOM 284 N MET A 23 9.248 3.140 8.172 1.00 0.00 N ATOM 285 CA MET A 23 8.570 1.907 8.554 1.00 0.00 C ATOM 286 C MET A 23 9.165 0.710 7.820 1.00 0.00 C ATOM 287 O MET A 23 9.319 -0.369 8.393 1.00 0.00 O ATOM 288 CB MET A 23 7.073 2.010 8.256 1.00 0.00 C ATOM 289 CG MET A 23 6.315 2.883 9.243 1.00 0.00 C ATOM 290 SD MET A 23 6.369 2.236 10.926 1.00 0.00 S ATOM 291 CE MET A 23 5.400 0.741 10.745 1.00 0.00 C ATOM 0 H MET A 23 8.626 3.880 7.846 1.00 0.00 H new ATOM 0 HA MET A 23 8.711 1.761 9.625 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.938 2.410 7.251 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.640 1.010 8.262 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.736 3.888 9.231 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.276 2.968 8.924 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.662 0.687 11.545 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.891 0.752 9.781 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.057 -0.127 10.798 1.00 0.00 H new ATOM 301 N PHE A 24 9.498 0.906 6.548 1.00 0.00 N ATOM 302 CA PHE A 24 10.075 -0.158 5.736 1.00 0.00 C ATOM 303 C PHE A 24 11.549 0.114 5.451 1.00 0.00 C ATOM 304 O PHE A 24 11.928 0.543 4.361 1.00 0.00 O ATOM 305 CB PHE A 24 9.307 -0.298 4.420 1.00 0.00 C ATOM 306 CG PHE A 24 7.869 -0.691 4.604 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.961 0.197 5.159 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.425 -1.946 4.222 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.637 -0.163 5.330 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.103 -2.311 4.390 1.00 0.00 C ATOM 311 CZ PHE A 24 5.207 -1.417 4.944 1.00 0.00 C ATOM 0 H PHE A 24 9.378 1.792 6.058 1.00 0.00 H new ATOM 0 HA PHE A 24 9.997 -1.090 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.351 0.648 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.802 -1.043 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.291 1.180 5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.121 -2.648 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.939 0.537 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.771 -3.293 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.173 -1.698 5.075 1.00 0.00 H new ATOM 357 N ASN A 28 15.353 -3.822 0.084 1.00 0.00 N ATOM 358 CA ASN A 28 14.556 -3.973 -1.128 1.00 0.00 C ATOM 359 C ASN A 28 13.096 -4.252 -0.788 1.00 0.00 C ATOM 360 O ASN A 28 12.480 -5.158 -1.348 1.00 0.00 O ATOM 361 CB ASN A 28 15.115 -5.104 -1.993 1.00 0.00 C ATOM 362 CG ASN A 28 16.156 -4.615 -2.983 1.00 0.00 C ATOM 363 OD1 ASN A 28 15.863 -4.423 -4.163 1.00 0.00 O ATOM 364 ND2 ASN A 28 17.378 -4.413 -2.505 1.00 0.00 N ATOM 0 HA ASN A 28 14.608 -3.038 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.558 -5.864 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.298 -5.581 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.120 -4.085 -3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.575 -4.586 -1.519 1.00 0.00 H new ATOM 371 N GLU A 29 12.548 -3.466 0.134 1.00 0.00 N ATOM 372 CA GLU A 29 11.159 -3.629 0.549 1.00 0.00 C ATOM 373 C GLU A 29 10.251 -2.655 -0.196 1.00 0.00 C ATOM 374 O GLU A 29 9.495 -3.050 -1.085 1.00 0.00 O ATOM 375 CB GLU A 29 11.026 -3.415 2.058 1.00 0.00 C ATOM 376 CG GLU A 29 11.240 -4.680 2.873 1.00 0.00 C ATOM 377 CD GLU A 29 10.177 -5.728 2.614 1.00 0.00 C ATOM 378 OE1 GLU A 29 10.334 -6.506 1.649 1.00 0.00 O ATOM 379 OE2 GLU A 29 9.187 -5.772 3.374 1.00 0.00 O ATOM 0 H GLU A 29 13.044 -2.711 0.607 1.00 0.00 H new ATOM 0 HA GLU A 29 10.850 -4.646 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.748 -2.662 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.035 -3.017 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.220 -5.097 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.245 -4.428 3.933 1.00 0.00 H new ATOM 386 N LEU A 30 10.330 -1.382 0.173 1.00 0.00 N ATOM 387 CA LEU A 30 9.515 -0.350 -0.459 1.00 0.00 C ATOM 388 C LEU A 30 10.292 0.356 -1.566 1.00 0.00 C ATOM 389 O LEU A 30 11.414 0.818 -1.353 1.00 0.00 O ATOM 390 CB LEU A 30 9.050 0.669 0.582 1.00 0.00 C ATOM 391 CG LEU A 30 8.683 2.055 0.049 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.603 2.690 0.910 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.915 2.947 -0.009 1.00 0.00 C ATOM 0 H LEU A 30 10.950 -1.039 0.907 1.00 0.00 H new ATOM 0 HA LEU A 30 8.643 -0.831 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.182 0.260 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.839 0.785 1.325 1.00 0.00 H new ATOM 0 HG LEU A 30 8.292 1.942 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.355 3.675 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.713 2.061 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.965 2.790 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.636 3.929 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.335 3.052 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.658 2.499 -0.669 1.00 0.00 H new ATOM 405 N ILE A 31 9.688 0.437 -2.747 1.00 0.00 N ATOM 406 CA ILE A 31 10.323 1.089 -3.885 1.00 0.00 C ATOM 407 C ILE A 31 9.406 2.144 -4.495 1.00 0.00 C ATOM 408 O ILE A 31 8.249 1.868 -4.814 1.00 0.00 O ATOM 409 CB ILE A 31 10.710 0.071 -4.974 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.750 -0.914 -4.435 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.240 0.788 -6.206 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.144 -2.109 -3.734 1.00 0.00 C ATOM 0 H ILE A 31 8.760 0.059 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 31 11.227 1.568 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 31 9.820 -0.489 -5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.370 -1.263 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.408 -0.391 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.509 0.055 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.471 1.453 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.121 1.371 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.939 -2.764 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.547 -1.770 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.508 -2.656 -4.431 1.00 0.00 H new ATOM 424 N VAL A 32 9.931 3.355 -4.656 1.00 0.00 N ATOM 425 CA VAL A 32 9.161 4.451 -5.231 1.00 0.00 C ATOM 426 C VAL A 32 9.698 4.840 -6.604 1.00 0.00 C ATOM 427 O VAL A 32 10.883 5.136 -6.757 1.00 0.00 O ATOM 428 CB VAL A 32 9.179 5.690 -4.316 1.00 0.00 C ATOM 429 CG1 VAL A 32 10.606 6.047 -3.928 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.493 6.865 -4.996 1.00 0.00 C ATOM 0 H VAL A 32 10.886 3.601 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 32 8.135 4.097 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 32 8.628 5.455 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.599 6.925 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.059 5.210 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.184 6.263 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.515 7.731 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.013 7.103 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.458 6.604 -5.217 1.00 0.00 H new ATOM 440 N ASN A 33 8.819 4.837 -7.600 1.00 0.00 N ATOM 441 CA ASN A 33 9.205 5.189 -8.962 1.00 0.00 C ATOM 442 C ASN A 33 9.116 6.697 -9.179 1.00 0.00 C ATOM 443 O ASN A 33 10.063 7.322 -9.658 1.00 0.00 O ATOM 444 CB ASN A 33 8.312 4.464 -9.971 1.00 0.00 C ATOM 445 CG ASN A 33 8.649 2.990 -10.085 1.00 0.00 C ATOM 446 OD1 ASN A 33 8.975 2.498 -11.166 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.572 2.277 -8.968 1.00 0.00 N ATOM 0 H ASN A 33 7.834 4.595 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 33 10.239 4.878 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.269 4.574 -9.674 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.416 4.935 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.787 1.280 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.298 2.726 -8.094 1.00 0.00 H new ATOM 454 N ASP A 34 7.974 7.274 -8.824 1.00 0.00 N ATOM 455 CA ASP A 34 7.762 8.709 -8.978 1.00 0.00 C ATOM 456 C ASP A 34 8.235 9.465 -7.741 1.00 0.00 C ATOM 457 O ASP A 34 7.468 9.681 -6.804 1.00 0.00 O ATOM 458 CB ASP A 34 6.283 9.002 -9.236 1.00 0.00 C ATOM 459 CG ASP A 34 6.076 10.275 -10.033 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.792 11.264 -9.770 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.199 10.281 -10.922 1.00 0.00 O ATOM 0 H ASP A 34 7.180 6.771 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 34 8.347 9.048 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.838 8.164 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.760 9.084 -8.283 1.00 0.00 H new ATOM 466 N GLN A 35 9.504 9.862 -7.745 1.00 0.00 N ATOM 467 CA GLN A 35 10.079 10.591 -6.622 1.00 0.00 C ATOM 468 C GLN A 35 9.736 12.075 -6.703 1.00 0.00 C ATOM 469 O GLN A 35 9.463 12.717 -5.688 1.00 0.00 O ATOM 470 CB GLN A 35 11.598 10.408 -6.591 1.00 0.00 C ATOM 471 CG GLN A 35 12.250 10.944 -5.327 1.00 0.00 C ATOM 472 CD GLN A 35 11.425 10.673 -4.085 1.00 0.00 C ATOM 473 OE1 GLN A 35 11.120 11.586 -3.317 1.00 0.00 O ATOM 474 NE2 GLN A 35 11.059 9.413 -3.880 1.00 0.00 N ATOM 0 H GLN A 35 10.153 9.691 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 35 9.653 10.187 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.830 9.347 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.034 10.909 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.235 10.491 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.403 12.018 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.334 8.688 -4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.503 9.170 -3.060 1.00 0.00 H new ATOM 483 N LEU A 36 9.752 12.615 -7.917 1.00 0.00 N ATOM 484 CA LEU A 36 9.443 14.024 -8.131 1.00 0.00 C ATOM 485 C LEU A 36 8.198 14.433 -7.351 1.00 0.00 C ATOM 486 O LEU A 36 8.232 15.373 -6.557 1.00 0.00 O ATOM 487 CB LEU A 36 9.238 14.301 -9.622 1.00 0.00 C ATOM 488 CG LEU A 36 8.736 15.700 -9.982 1.00 0.00 C ATOM 489 CD1 LEU A 36 9.796 16.744 -9.667 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.342 15.763 -11.451 1.00 0.00 C ATOM 0 H LEU A 36 9.976 12.098 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 36 10.286 14.614 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.185 14.133 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.529 13.571 -10.013 1.00 0.00 H new ATOM 0 HG LEU A 36 7.853 15.915 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.422 17.733 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.030 16.715 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.697 16.533 -10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.987 16.766 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.207 15.527 -12.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.549 15.041 -11.646 1.00 0.00 H new ATOM 502 N ALA A 37 7.100 13.720 -7.580 1.00 0.00 N ATOM 503 CA ALA A 37 5.846 14.005 -6.896 1.00 0.00 C ATOM 504 C ALA A 37 6.082 14.305 -5.419 1.00 0.00 C ATOM 505 O ALA A 37 5.536 15.265 -4.875 1.00 0.00 O ATOM 506 CB ALA A 37 4.882 12.839 -7.052 1.00 0.00 C ATOM 0 H ALA A 37 7.054 12.940 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 37 5.405 14.890 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.949 13.066 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.680 12.673 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.325 11.941 -6.622 1.00 0.00 H new ATOM 512 N VAL A 38 6.899 13.477 -4.775 1.00 0.00 N ATOM 513 CA VAL A 38 7.207 13.654 -3.361 1.00 0.00 C ATOM 514 C VAL A 38 8.060 14.897 -3.136 1.00 0.00 C ATOM 515 O VAL A 38 7.655 15.820 -2.430 1.00 0.00 O ATOM 516 CB VAL A 38 7.946 12.428 -2.791 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.212 12.610 -1.304 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.148 11.159 -3.047 1.00 0.00 C ATOM 0 H VAL A 38 7.359 12.677 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 38 6.256 13.771 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 38 8.906 12.334 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.735 11.735 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.827 13.497 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.265 12.729 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.685 10.303 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.173 11.239 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.014 11.024 -4.120 1.00 0.00 H new ATOM 528 N ALA A 39 9.242 14.916 -3.743 1.00 0.00 N ATOM 529 CA ALA A 39 10.151 16.047 -3.611 1.00 0.00 C ATOM 530 C ALA A 39 9.391 17.369 -3.648 1.00 0.00 C ATOM 531 O ALA A 39 9.615 18.247 -2.815 1.00 0.00 O ATOM 532 CB ALA A 39 11.203 16.010 -4.709 1.00 0.00 C ATOM 0 H ALA A 39 9.592 14.160 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 39 10.648 15.971 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.875 16.861 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.774 15.084 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.715 16.058 -5.682 1.00 0.00 H new ATOM 538 N GLU A 40 8.494 17.503 -4.619 1.00 0.00 N ATOM 539 CA GLU A 40 7.703 18.719 -4.765 1.00 0.00 C ATOM 540 C GLU A 40 6.730 18.878 -3.600 1.00 0.00 C ATOM 541 O GLU A 40 6.493 19.988 -3.121 1.00 0.00 O ATOM 542 CB GLU A 40 6.933 18.699 -6.087 1.00 0.00 C ATOM 543 CG GLU A 40 7.801 18.981 -7.301 1.00 0.00 C ATOM 544 CD GLU A 40 8.565 20.285 -7.182 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.936 21.355 -7.325 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.790 20.237 -6.946 1.00 0.00 O ATOM 0 H GLU A 40 8.297 16.785 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 40 8.387 19.568 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.460 17.724 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.133 19.438 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.507 18.162 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.174 19.012 -8.192 1.00 0.00 H new ATOM 553 N LEU A 41 6.169 17.762 -3.149 1.00 0.00 N ATOM 554 CA LEU A 41 5.221 17.775 -2.040 1.00 0.00 C ATOM 555 C LEU A 41 5.838 18.421 -0.804 1.00 0.00 C ATOM 556 O LEU A 41 5.127 18.897 0.082 1.00 0.00 O ATOM 557 CB LEU A 41 4.767 16.351 -1.713 1.00 0.00 C ATOM 558 CG LEU A 41 3.418 16.222 -1.006 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.293 16.703 -1.909 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.178 14.783 -0.573 1.00 0.00 C ATOM 0 H LEU A 41 6.354 16.836 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 41 4.355 18.365 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.723 15.783 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.528 15.883 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 41 3.435 16.851 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.341 16.603 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.457 17.749 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.274 16.102 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.213 14.710 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.182 14.134 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.967 14.473 0.112 1.00 0.00 H new ATOM 572 N LYS A 42 7.165 18.436 -0.751 1.00 0.00 N ATOM 573 CA LYS A 42 7.880 19.027 0.374 1.00 0.00 C ATOM 574 C LYS A 42 8.016 20.536 0.200 1.00 0.00 C ATOM 575 O LYS A 42 7.929 21.293 1.168 1.00 0.00 O ATOM 576 CB LYS A 42 9.265 18.392 0.515 1.00 0.00 C ATOM 577 CG LYS A 42 9.284 17.169 1.416 1.00 0.00 C ATOM 578 CD LYS A 42 8.903 15.910 0.655 1.00 0.00 C ATOM 579 CE LYS A 42 10.034 15.440 -0.248 1.00 0.00 C ATOM 580 NZ LYS A 42 10.986 14.551 0.474 1.00 0.00 N ATOM 0 H LYS A 42 7.768 18.045 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 42 7.305 18.834 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.629 18.111 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.958 19.135 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.278 17.048 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.593 17.317 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.648 15.120 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.013 16.101 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.618 14.908 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.570 16.305 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.742 14.252 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.402 15.066 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.480 13.713 0.826 1.00 0.00 H new ATOM 594 N ASP A 43 8.230 20.968 -1.038 1.00 0.00 N ATOM 595 CA ASP A 43 8.376 22.387 -1.339 1.00 0.00 C ATOM 596 C ASP A 43 7.021 23.088 -1.321 1.00 0.00 C ATOM 597 O ASP A 43 6.855 24.123 -0.675 1.00 0.00 O ATOM 598 CB ASP A 43 9.044 22.575 -2.702 1.00 0.00 C ATOM 599 CG ASP A 43 9.609 23.971 -2.881 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.065 24.559 -1.879 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.595 24.474 -4.024 1.00 0.00 O ATOM 0 H ASP A 43 8.306 20.355 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 43 9.006 22.834 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.845 21.844 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.318 22.376 -3.490 1.00 0.00 H new ATOM 606 N CYS A 44 6.057 22.519 -2.036 1.00 0.00 N ATOM 607 CA CYS A 44 4.717 23.090 -2.104 1.00 0.00 C ATOM 608 C CYS A 44 4.270 23.595 -0.736 1.00 0.00 C ATOM 609 O CYS A 44 3.669 24.663 -0.623 1.00 0.00 O ATOM 610 CB CYS A 44 3.723 22.052 -2.628 1.00 0.00 C ATOM 611 SG CYS A 44 3.008 21.000 -1.342 1.00 0.00 S ATOM 0 H CYS A 44 6.178 21.663 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 44 4.744 23.935 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.917 22.568 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.226 21.421 -3.361 1.00 0.00 H new ATOM 0 HG CYS A 44 3.933 20.234 -0.844 1.00 0.00 H new ATOM 617 N ILE A 45 4.567 22.818 0.301 1.00 0.00 N ATOM 618 CA ILE A 45 4.196 23.186 1.661 1.00 0.00 C ATOM 619 C ILE A 45 4.965 24.418 2.127 1.00 0.00 C ATOM 620 O ILE A 45 4.376 25.380 2.618 1.00 0.00 O ATOM 621 CB ILE A 45 4.452 22.031 2.647 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.558 20.836 2.310 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.214 22.492 4.077 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.126 19.510 2.763 1.00 0.00 C ATOM 0 H ILE A 45 5.063 21.930 0.225 1.00 0.00 H new ATOM 0 HA ILE A 45 3.129 23.411 1.647 1.00 0.00 H new ATOM 0 HB ILE A 45 5.492 21.719 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.582 20.981 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.398 20.805 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.399 21.664 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.890 23.315 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.183 22.828 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.440 18.708 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.089 19.343 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.260 19.522 3.845 1.00 0.00 H new ATOM 636 N GLU A 46 6.284 24.380 1.968 1.00 0.00 N ATOM 637 CA GLU A 46 7.134 25.494 2.372 1.00 0.00 C ATOM 638 C GLU A 46 6.724 26.778 1.657 1.00 0.00 C ATOM 639 O GLU A 46 6.685 27.852 2.258 1.00 0.00 O ATOM 640 CB GLU A 46 8.602 25.178 2.075 1.00 0.00 C ATOM 641 CG GLU A 46 9.138 23.989 2.853 1.00 0.00 C ATOM 642 CD GLU A 46 9.540 24.352 4.270 1.00 0.00 C ATOM 643 OE1 GLU A 46 8.666 24.326 5.161 1.00 0.00 O ATOM 644 OE2 GLU A 46 10.731 24.661 4.487 1.00 0.00 O ATOM 0 H GLU A 46 6.787 23.591 1.563 1.00 0.00 H new ATOM 0 HA GLU A 46 7.011 25.641 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.714 24.984 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.207 26.055 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.379 23.208 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.000 23.576 2.329 1.00 0.00 H new ATOM 783 N SER A 55 2.168 15.476 -10.474 1.00 0.00 N ATOM 784 CA SER A 55 2.071 14.038 -10.696 1.00 0.00 C ATOM 785 C SER A 55 1.606 13.323 -9.432 1.00 0.00 C ATOM 786 O SER A 55 1.722 13.852 -8.326 1.00 0.00 O ATOM 787 CB SER A 55 3.423 13.478 -11.145 1.00 0.00 C ATOM 788 OG SER A 55 3.730 13.887 -12.467 1.00 0.00 O ATOM 0 HA SER A 55 1.335 13.865 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.205 13.817 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.405 12.389 -11.093 1.00 0.00 H new ATOM 0 HG SER A 55 4.599 13.518 -12.730 1.00 0.00 H new ATOM 794 N LYS A 56 1.079 12.115 -9.603 1.00 0.00 N ATOM 795 CA LYS A 56 0.597 11.324 -8.477 1.00 0.00 C ATOM 796 C LYS A 56 1.734 10.530 -7.843 1.00 0.00 C ATOM 797 O LYS A 56 2.491 9.849 -8.536 1.00 0.00 O ATOM 798 CB LYS A 56 -0.511 10.372 -8.934 1.00 0.00 C ATOM 799 CG LYS A 56 -1.893 11.003 -8.933 1.00 0.00 C ATOM 800 CD LYS A 56 -2.947 10.038 -9.452 1.00 0.00 C ATOM 801 CE LYS A 56 -4.352 10.513 -9.114 1.00 0.00 C ATOM 802 NZ LYS A 56 -5.373 9.905 -10.011 1.00 0.00 N ATOM 0 H LYS A 56 0.975 11.662 -10.511 1.00 0.00 H new ATOM 0 HA LYS A 56 0.195 12.008 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.283 10.018 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.519 9.498 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.151 11.315 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.885 11.901 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.847 9.935 -10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.782 9.051 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.582 10.261 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.398 11.599 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.317 10.253 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.169 10.166 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.347 8.870 -9.915 1.00 0.00 H new ATOM 816 N VAL A 57 1.849 10.620 -6.522 1.00 0.00 N ATOM 817 CA VAL A 57 2.892 9.907 -5.795 1.00 0.00 C ATOM 818 C VAL A 57 2.774 8.401 -5.999 1.00 0.00 C ATOM 819 O VAL A 57 1.989 7.733 -5.325 1.00 0.00 O ATOM 820 CB VAL A 57 2.836 10.216 -4.287 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.901 9.428 -3.540 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.996 11.709 -4.043 1.00 0.00 C ATOM 0 H VAL A 57 1.232 11.180 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 57 3.847 10.250 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 57 1.861 9.912 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.846 9.660 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.735 8.361 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.887 9.698 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.954 11.909 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.957 12.041 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.192 12.248 -4.545 1.00 0.00 H new ATOM 832 N TYR A 58 3.558 7.873 -6.931 1.00 0.00 N ATOM 833 CA TYR A 58 3.540 6.445 -7.226 1.00 0.00 C ATOM 834 C TYR A 58 4.674 5.725 -6.501 1.00 0.00 C ATOM 835 O TYR A 58 5.847 6.052 -6.679 1.00 0.00 O ATOM 836 CB TYR A 58 3.655 6.212 -8.733 1.00 0.00 C ATOM 837 CG TYR A 58 3.757 4.753 -9.115 1.00 0.00 C ATOM 838 CD1 TYR A 58 2.979 3.792 -8.480 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.630 4.334 -10.111 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.069 2.458 -8.824 1.00 0.00 C ATOM 841 CE2 TYR A 58 4.726 3.002 -10.464 1.00 0.00 C ATOM 842 CZ TYR A 58 3.944 2.067 -9.817 1.00 0.00 C ATOM 843 OH TYR A 58 4.036 0.739 -10.164 1.00 0.00 O ATOM 0 H TYR A 58 4.214 8.412 -7.496 1.00 0.00 H new ATOM 0 HA TYR A 58 2.592 6.039 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.787 6.648 -9.227 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.533 6.739 -9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.292 4.094 -7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.245 5.063 -10.618 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.458 1.725 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.409 2.694 -11.242 1.00 0.00 H new ATOM 0 HH TYR A 58 4.697 0.633 -10.880 1.00 0.00 H new ATOM 853 N PHE A 59 4.314 4.742 -5.683 1.00 0.00 N ATOM 854 CA PHE A 59 5.299 3.974 -4.930 1.00 0.00 C ATOM 855 C PHE A 59 4.755 2.595 -4.571 1.00 0.00 C ATOM 856 O PHE A 59 3.681 2.472 -3.980 1.00 0.00 O ATOM 857 CB PHE A 59 5.697 4.725 -3.657 1.00 0.00 C ATOM 858 CG PHE A 59 4.578 4.858 -2.665 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.622 5.851 -2.807 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.481 3.990 -1.589 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.591 5.975 -1.895 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.453 4.109 -0.673 1.00 0.00 C ATOM 863 CZ PHE A 59 2.506 5.103 -0.827 1.00 0.00 C ATOM 0 H PHE A 59 3.347 4.458 -5.524 1.00 0.00 H new ATOM 0 HA PHE A 59 6.180 3.845 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.531 4.206 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.052 5.719 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.683 6.536 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.218 3.211 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.852 6.753 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.390 3.426 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.701 5.198 -0.114 1.00 0.00 H new ATOM 873 N THR A 60 5.503 1.557 -4.932 1.00 0.00 N ATOM 874 CA THR A 60 5.097 0.186 -4.651 1.00 0.00 C ATOM 875 C THR A 60 5.750 -0.330 -3.374 1.00 0.00 C ATOM 876 O THR A 60 6.773 0.195 -2.933 1.00 0.00 O ATOM 877 CB THR A 60 5.457 -0.756 -5.815 1.00 0.00 C ATOM 878 OG1 THR A 60 4.950 -0.230 -7.046 1.00 0.00 O ATOM 879 CG2 THR A 60 4.888 -2.148 -5.580 1.00 0.00 C ATOM 0 H THR A 60 6.395 1.640 -5.420 1.00 0.00 H new ATOM 0 HA THR A 60 4.015 0.197 -4.523 1.00 0.00 H new ATOM 0 HB THR A 60 6.543 -0.829 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.185 -0.834 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.155 -2.796 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.298 -2.558 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.803 -2.089 -5.499 1.00 0.00 H new ATOM 887 N ILE A 61 5.153 -1.360 -2.784 1.00 0.00 N ATOM 888 CA ILE A 61 5.678 -1.947 -1.558 1.00 0.00 C ATOM 889 C ILE A 61 5.714 -3.469 -1.649 1.00 0.00 C ATOM 890 O ILE A 61 4.709 -4.106 -1.961 1.00 0.00 O ATOM 891 CB ILE A 61 4.840 -1.537 -0.333 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.839 -0.015 -0.175 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.378 -2.204 0.924 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.902 0.480 0.905 1.00 0.00 C ATOM 0 H ILE A 61 4.305 -1.805 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 61 6.693 -1.568 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 61 3.813 -1.869 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.851 0.319 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.559 0.441 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.775 -1.904 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.333 -3.287 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.412 -1.899 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.953 1.567 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.882 0.176 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.195 0.053 1.864 1.00 0.00 H new ATOM 906 N ASN A 62 6.879 -4.046 -1.372 1.00 0.00 N ATOM 907 CA ASN A 62 7.046 -5.494 -1.421 1.00 0.00 C ATOM 908 C ASN A 62 7.077 -6.086 -0.015 1.00 0.00 C ATOM 909 O ASN A 62 7.928 -5.729 0.800 1.00 0.00 O ATOM 910 CB ASN A 62 8.332 -5.855 -2.167 1.00 0.00 C ATOM 911 CG ASN A 62 8.369 -5.275 -3.568 1.00 0.00 C ATOM 912 OD1 ASN A 62 7.541 -5.614 -4.414 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.333 -4.396 -3.819 1.00 0.00 N ATOM 0 H ASN A 62 7.721 -3.533 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 62 6.194 -5.915 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.191 -5.491 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.424 -6.940 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.409 -3.972 -4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.997 -4.145 -3.087 1.00 0.00 H new ATOM 920 N MET A 63 6.145 -6.992 0.261 1.00 0.00 N ATOM 921 CA MET A 63 6.068 -7.635 1.567 1.00 0.00 C ATOM 922 C MET A 63 6.123 -9.153 1.430 1.00 0.00 C ATOM 923 O MET A 63 5.306 -9.753 0.733 1.00 0.00 O ATOM 924 CB MET A 63 4.782 -7.222 2.287 1.00 0.00 C ATOM 925 CG MET A 63 4.625 -5.718 2.436 1.00 0.00 C ATOM 926 SD MET A 63 3.608 -5.263 3.853 1.00 0.00 S ATOM 927 CE MET A 63 2.162 -6.281 3.574 1.00 0.00 C ATOM 0 H MET A 63 5.433 -7.297 -0.402 1.00 0.00 H new ATOM 0 HA MET A 63 6.926 -7.310 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.926 -7.616 1.739 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.766 -7.680 3.276 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.610 -5.262 2.539 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.179 -5.311 1.528 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.265 -5.719 3.835 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.117 -6.569 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.222 -7.176 4.193 1.00 0.00 H new ATOM 937 N ASN A 64 7.092 -9.768 2.100 1.00 0.00 N ATOM 938 CA ASN A 64 7.254 -11.217 2.052 1.00 0.00 C ATOM 939 C ASN A 64 6.362 -11.899 3.085 1.00 0.00 C ATOM 940 O ASN A 64 6.551 -11.733 4.291 1.00 0.00 O ATOM 941 CB ASN A 64 8.716 -11.596 2.295 1.00 0.00 C ATOM 942 CG ASN A 64 9.220 -11.122 3.645 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.751 -10.114 4.176 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.179 -11.848 4.207 1.00 0.00 N ATOM 0 H ASN A 64 7.777 -9.286 2.682 1.00 0.00 H new ATOM 0 HA ASN A 64 6.957 -11.558 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.823 -12.679 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.335 -11.166 1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.557 -11.578 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.538 -12.676 3.731 1.00 0.00 H new ATOM 951 N LEU A 65 5.389 -12.666 2.604 1.00 0.00 N ATOM 952 CA LEU A 65 4.467 -13.374 3.485 1.00 0.00 C ATOM 953 C LEU A 65 4.122 -14.748 2.921 1.00 0.00 C ATOM 954 O LEU A 65 4.321 -15.011 1.735 1.00 0.00 O ATOM 955 CB LEU A 65 3.190 -12.556 3.684 1.00 0.00 C ATOM 956 CG LEU A 65 3.379 -11.048 3.857 1.00 0.00 C ATOM 957 CD1 LEU A 65 2.182 -10.293 3.300 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.595 -10.703 5.323 1.00 0.00 C ATOM 0 H LEU A 65 5.219 -12.813 1.609 1.00 0.00 H new ATOM 0 HA LEU A 65 4.957 -13.510 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.537 -12.724 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.670 -12.940 4.561 1.00 0.00 H new ATOM 0 HG LEU A 65 4.265 -10.745 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.334 -9.222 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.073 -10.516 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.280 -10.599 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.728 -9.626 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.728 -11.020 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.484 -11.215 5.690 1.00 0.00 H new ATOM 970 N ASP A 66 3.602 -15.620 3.778 1.00 0.00 N ATOM 971 CA ASP A 66 3.225 -16.967 3.364 1.00 0.00 C ATOM 972 C ASP A 66 1.817 -16.982 2.777 1.00 0.00 C ATOM 973 O ASP A 66 0.975 -16.159 3.137 1.00 0.00 O ATOM 974 CB ASP A 66 3.307 -17.930 4.550 1.00 0.00 C ATOM 975 CG ASP A 66 2.419 -17.505 5.702 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.877 -16.698 6.538 1.00 0.00 O ATOM 977 OD2 ASP A 66 1.266 -17.978 5.768 1.00 0.00 O ATOM 0 H ASP A 66 3.432 -15.418 4.763 1.00 0.00 H new ATOM 0 HA ASP A 66 3.924 -17.292 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.020 -18.930 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.339 -17.991 4.894 1.00 0.00 H new ATOM 982 N VAL A 67 1.569 -17.921 1.870 1.00 0.00 N ATOM 983 CA VAL A 67 0.263 -18.043 1.233 1.00 0.00 C ATOM 984 C VAL A 67 -0.341 -19.421 1.478 1.00 0.00 C ATOM 985 O VAL A 67 -1.521 -19.543 1.808 1.00 0.00 O ATOM 986 CB VAL A 67 0.354 -17.796 -0.285 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.532 -16.314 -0.576 1.00 0.00 C ATOM 988 CG2 VAL A 67 1.492 -18.606 -0.889 1.00 0.00 C ATOM 0 H VAL A 67 2.255 -18.609 1.560 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.379 -17.284 1.679 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.579 -18.122 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.594 -16.160 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.319 -15.760 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.448 -15.958 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.542 -18.420 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.434 -18.312 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.317 -19.667 -0.713 1.00 0.00 H new ATOM 998 N SER A 68 0.475 -20.457 1.313 1.00 0.00 N ATOM 999 CA SER A 68 0.020 -21.828 1.513 1.00 0.00 C ATOM 1000 C SER A 68 1.185 -22.807 1.411 1.00 0.00 C ATOM 1001 O SER A 68 2.294 -22.432 1.029 1.00 0.00 O ATOM 1002 CB SER A 68 -1.054 -22.186 0.484 1.00 0.00 C ATOM 1003 OG SER A 68 -1.719 -23.386 0.839 1.00 0.00 O ATOM 0 H SER A 68 1.455 -20.373 1.041 1.00 0.00 H new ATOM 0 HA SER A 68 -0.407 -21.901 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.777 -21.374 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.598 -22.297 -0.500 1.00 0.00 H new ATOM 0 HG SER A 68 -2.402 -23.593 0.167 1.00 0.00 H new ATOM 1009 N ASP A 69 0.925 -24.064 1.754 1.00 0.00 N ATOM 1010 CA ASP A 69 1.951 -25.099 1.701 1.00 0.00 C ATOM 1011 C ASP A 69 3.222 -24.642 2.409 1.00 0.00 C ATOM 1012 O ASP A 69 4.331 -24.939 1.967 1.00 0.00 O ATOM 1013 CB ASP A 69 2.265 -25.461 0.248 1.00 0.00 C ATOM 1014 CG ASP A 69 1.170 -26.294 -0.390 1.00 0.00 C ATOM 1015 OD1 ASP A 69 1.044 -27.484 -0.033 1.00 0.00 O ATOM 1016 OD2 ASP A 69 0.438 -25.754 -1.246 1.00 0.00 O ATOM 0 H ASP A 69 0.012 -24.391 2.072 1.00 0.00 H new ATOM 0 HA ASP A 69 1.568 -25.981 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.405 -24.547 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.206 -26.011 0.208 1.00 0.00 H new ATOM 1021 N GLU A 70 3.052 -23.916 3.510 1.00 0.00 N ATOM 1022 CA GLU A 70 4.186 -23.416 4.278 1.00 0.00 C ATOM 1023 C GLU A 70 5.202 -22.734 3.367 1.00 0.00 C ATOM 1024 O GLU A 70 6.404 -22.750 3.635 1.00 0.00 O ATOM 1025 CB GLU A 70 4.857 -24.560 5.042 1.00 0.00 C ATOM 1026 CG GLU A 70 3.888 -25.392 5.867 1.00 0.00 C ATOM 1027 CD GLU A 70 3.712 -24.857 7.274 1.00 0.00 C ATOM 1028 OE1 GLU A 70 2.961 -23.874 7.445 1.00 0.00 O ATOM 1029 OE2 GLU A 70 4.326 -25.420 8.205 1.00 0.00 O ATOM 0 H GLU A 70 2.140 -23.661 3.890 1.00 0.00 H new ATOM 0 HA GLU A 70 3.813 -22.681 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.367 -25.210 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.621 -24.147 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.919 -25.416 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.247 -26.420 5.915 1.00 0.00 H new ATOM 1036 N LYS A 71 4.711 -22.136 2.287 1.00 0.00 N ATOM 1037 CA LYS A 71 5.574 -21.446 1.335 1.00 0.00 C ATOM 1038 C LYS A 71 5.523 -19.937 1.548 1.00 0.00 C ATOM 1039 O LYS A 71 4.686 -19.435 2.298 1.00 0.00 O ATOM 1040 CB LYS A 71 5.158 -21.784 -0.099 1.00 0.00 C ATOM 1041 CG LYS A 71 5.391 -23.238 -0.473 1.00 0.00 C ATOM 1042 CD LYS A 71 5.682 -23.391 -1.957 1.00 0.00 C ATOM 1043 CE LYS A 71 4.417 -23.252 -2.790 1.00 0.00 C ATOM 1044 NZ LYS A 71 4.159 -21.837 -3.174 1.00 0.00 N ATOM 0 H LYS A 71 3.719 -22.115 2.049 1.00 0.00 H new ATOM 0 HA LYS A 71 6.597 -21.783 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.101 -21.550 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.712 -21.147 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.226 -23.634 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.513 -23.828 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.407 -22.638 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.135 -24.365 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.505 -23.862 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.567 -23.636 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.239 -21.536 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.909 -21.230 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.148 -21.755 -4.211 1.00 0.00 H new ATOM 1058 N MET A 72 6.422 -19.219 0.882 1.00 0.00 N ATOM 1059 CA MET A 72 6.477 -17.767 0.998 1.00 0.00 C ATOM 1060 C MET A 72 6.477 -17.112 -0.380 1.00 0.00 C ATOM 1061 O MET A 72 6.918 -17.709 -1.361 1.00 0.00 O ATOM 1062 CB MET A 72 7.723 -17.342 1.777 1.00 0.00 C ATOM 1063 CG MET A 72 7.481 -17.180 3.269 1.00 0.00 C ATOM 1064 SD MET A 72 8.843 -16.347 4.107 1.00 0.00 S ATOM 1065 CE MET A 72 8.174 -14.695 4.281 1.00 0.00 C ATOM 0 H MET A 72 7.122 -19.619 0.257 1.00 0.00 H new ATOM 0 HA MET A 72 5.590 -17.437 1.539 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.508 -18.082 1.623 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.090 -16.399 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.563 -16.614 3.425 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.330 -18.162 3.717 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.916 -14.050 4.751 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.921 -14.300 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.278 -14.729 4.900 1.00 0.00 H new ATOM 1075 N ALA A 73 5.979 -15.881 -0.445 1.00 0.00 N ATOM 1076 CA ALA A 73 5.923 -15.145 -1.702 1.00 0.00 C ATOM 1077 C ALA A 73 5.866 -13.642 -1.456 1.00 0.00 C ATOM 1078 O ALA A 73 5.439 -13.193 -0.392 1.00 0.00 O ATOM 1079 CB ALA A 73 4.723 -15.594 -2.524 1.00 0.00 C ATOM 0 H ALA A 73 5.609 -15.373 0.358 1.00 0.00 H new ATOM 0 HA ALA A 73 6.833 -15.360 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.694 -15.036 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.807 -16.659 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.807 -15.409 -1.962 1.00 0.00 H new ATOM 1085 N MET A 74 6.298 -12.867 -2.446 1.00 0.00 N ATOM 1086 CA MET A 74 6.295 -11.413 -2.335 1.00 0.00 C ATOM 1087 C MET A 74 4.956 -10.837 -2.783 1.00 0.00 C ATOM 1088 O MET A 74 4.291 -11.393 -3.658 1.00 0.00 O ATOM 1089 CB MET A 74 7.427 -10.815 -3.173 1.00 0.00 C ATOM 1090 CG MET A 74 8.732 -10.660 -2.409 1.00 0.00 C ATOM 1091 SD MET A 74 10.102 -10.161 -3.469 1.00 0.00 S ATOM 1092 CE MET A 74 9.580 -8.516 -3.946 1.00 0.00 C ATOM 0 H MET A 74 6.654 -13.222 -3.334 1.00 0.00 H new ATOM 0 HA MET A 74 6.450 -11.152 -1.288 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.598 -11.449 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.116 -9.839 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.601 -9.920 -1.619 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.979 -11.604 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 74 9.715 -8.388 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.528 -8.381 -3.694 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.178 -7.776 -3.415 1.00 0.00 H new ATOM 1102 N PHE A 75 4.566 -9.720 -2.179 1.00 0.00 N ATOM 1103 CA PHE A 75 3.305 -9.069 -2.515 1.00 0.00 C ATOM 1104 C PHE A 75 3.516 -7.584 -2.794 1.00 0.00 C ATOM 1105 O PHE A 75 3.740 -6.795 -1.877 1.00 0.00 O ATOM 1106 CB PHE A 75 2.296 -9.247 -1.379 1.00 0.00 C ATOM 1107 CG PHE A 75 1.486 -10.508 -1.488 1.00 0.00 C ATOM 1108 CD1 PHE A 75 1.965 -11.701 -0.971 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.247 -10.499 -2.108 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.222 -12.862 -1.069 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.500 -11.658 -2.208 1.00 0.00 C ATOM 1112 CZ PHE A 75 -0.011 -12.841 -1.690 1.00 0.00 C ATOM 0 H PHE A 75 5.105 -9.246 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 75 2.913 -9.538 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.828 -9.248 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.621 -8.391 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.930 -11.724 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.139 -9.577 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.605 -13.785 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.466 -11.638 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.592 -13.748 -1.770 1.00 0.00 H new ATOM 1122 N SER A 76 3.445 -7.211 -4.068 1.00 0.00 N ATOM 1123 CA SER A 76 3.633 -5.822 -4.470 1.00 0.00 C ATOM 1124 C SER A 76 2.345 -5.024 -4.286 1.00 0.00 C ATOM 1125 O SER A 76 1.278 -5.429 -4.749 1.00 0.00 O ATOM 1126 CB SER A 76 4.088 -5.748 -5.929 1.00 0.00 C ATOM 1127 OG SER A 76 3.273 -6.558 -6.759 1.00 0.00 O ATOM 0 H SER A 76 3.259 -7.852 -4.840 1.00 0.00 H new ATOM 0 HA SER A 76 4.404 -5.387 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.049 -4.715 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.126 -6.071 -6.006 1.00 0.00 H new ATOM 0 HG SER A 76 2.378 -6.631 -6.367 1.00 0.00 H new ATOM 1133 N LEU A 77 2.453 -3.888 -3.606 1.00 0.00 N ATOM 1134 CA LEU A 77 1.299 -3.031 -3.360 1.00 0.00 C ATOM 1135 C LEU A 77 1.540 -1.624 -3.897 1.00 0.00 C ATOM 1136 O LEU A 77 2.135 -0.785 -3.222 1.00 0.00 O ATOM 1137 CB LEU A 77 0.993 -2.972 -1.862 1.00 0.00 C ATOM 1138 CG LEU A 77 0.108 -4.091 -1.313 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.914 -5.367 -1.128 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.533 -3.668 0.001 1.00 0.00 C ATOM 0 H LEU A 77 3.328 -3.539 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 77 0.443 -3.457 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.937 -2.983 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.513 -2.018 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.685 -4.288 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.267 -6.152 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.325 -5.680 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.728 -5.185 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.159 -4.477 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.246 -3.443 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.145 -2.781 -0.162 1.00 0.00 H new ATOM 1152 N ALA A 78 1.072 -1.374 -5.116 1.00 0.00 N ATOM 1153 CA ALA A 78 1.233 -0.068 -5.742 1.00 0.00 C ATOM 1154 C ALA A 78 0.317 0.967 -5.096 1.00 0.00 C ATOM 1155 O ALA A 78 -0.842 1.114 -5.486 1.00 0.00 O ATOM 1156 CB ALA A 78 0.957 -0.161 -7.235 1.00 0.00 C ATOM 0 H ALA A 78 0.579 -2.059 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 78 2.264 0.254 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.081 0.822 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.655 -0.863 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.063 -0.509 -7.395 1.00 0.00 H new ATOM 1162 N CYS A 79 0.845 1.682 -4.109 1.00 0.00 N ATOM 1163 CA CYS A 79 0.074 2.703 -3.408 1.00 0.00 C ATOM 1164 C CYS A 79 0.282 4.073 -4.044 1.00 0.00 C ATOM 1165 O CYS A 79 1.414 4.536 -4.188 1.00 0.00 O ATOM 1166 CB CYS A 79 0.470 2.747 -1.931 1.00 0.00 C ATOM 1167 SG CYS A 79 0.591 1.121 -1.150 1.00 0.00 S ATOM 0 H CYS A 79 1.803 1.574 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.982 2.443 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.430 3.255 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.261 3.346 -1.388 1.00 0.00 H new ATOM 0 HG CYS A 79 1.190 0.296 -1.956 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.817 4.716 -4.424 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.755 6.033 -5.045 1.00 0.00 C ATOM 1175 C ILE A 80 -1.636 7.033 -4.304 1.00 0.00 C ATOM 1176 O ILE A 80 -2.724 6.693 -3.838 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.189 5.980 -6.522 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.250 5.075 -7.320 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.216 7.380 -7.117 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.724 4.806 -8.731 1.00 0.00 C ATOM 0 H ILE A 80 -1.761 4.346 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 80 0.284 6.358 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.195 5.564 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.738 5.534 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.140 4.126 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.524 7.326 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.922 7.998 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.221 7.821 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.009 4.157 -9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.698 4.318 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.807 5.748 -9.273 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.159 8.269 -4.198 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.904 9.320 -3.515 1.00 0.00 C ATOM 1194 C LEU A 81 -2.341 10.404 -4.496 1.00 0.00 C ATOM 1195 O LEU A 81 -1.521 11.103 -5.092 1.00 0.00 O ATOM 1196 CB LEU A 81 -1.052 9.936 -2.404 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.499 8.961 -1.363 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.497 9.661 -0.452 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.632 8.351 -0.550 1.00 0.00 C ATOM 0 H LEU A 81 -0.260 8.567 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.796 8.872 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.214 10.459 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.651 10.686 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 81 0.021 8.158 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.880 8.952 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.324 10.049 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.003 10.485 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.221 7.660 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.180 9.142 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.308 7.813 -1.215 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.663 10.549 -4.667 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.239 11.548 -5.573 1.00 0.00 C ATOM 1213 C PRO A 82 -4.050 12.972 -5.061 1.00 0.00 C ATOM 1214 O PRO A 82 -3.297 13.208 -4.116 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.725 11.184 -5.603 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.970 10.484 -4.311 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.698 9.750 -3.989 1.00 0.00 C ATOM 0 HA PRO A 82 -3.762 11.533 -6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.349 12.073 -5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.958 10.541 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.220 11.195 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.809 9.793 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.525 9.697 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.721 8.725 -4.359 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.738 13.918 -5.691 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.645 15.320 -5.300 1.00 0.00 C ATOM 1227 C PHE A 83 -5.872 15.742 -4.496 1.00 0.00 C ATOM 1228 O PHE A 83 -6.244 16.916 -4.480 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.501 16.208 -6.537 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.409 15.766 -7.468 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.117 15.581 -7.004 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.675 15.535 -8.808 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.110 15.175 -7.859 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.672 15.128 -9.669 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.388 14.947 -9.193 1.00 0.00 C ATOM 0 H PHE A 83 -5.366 13.740 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.762 15.439 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.447 16.219 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.304 17.232 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.894 15.756 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.678 15.674 -9.185 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.107 15.036 -7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.892 14.952 -10.712 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.603 14.628 -9.862 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.497 14.777 -3.830 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.681 15.047 -3.024 1.00 0.00 C ATOM 1247 C LYS A 84 -7.490 14.551 -1.594 1.00 0.00 C ATOM 1248 O LYS A 84 -7.856 15.232 -0.636 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.910 14.380 -3.646 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.877 14.340 -5.164 1.00 0.00 C ATOM 1251 CD LYS A 84 -10.269 14.480 -5.756 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.214 14.815 -7.238 1.00 0.00 C ATOM 1253 NZ LYS A 84 -10.113 16.283 -7.471 1.00 0.00 N ATOM 0 H LYS A 84 -6.203 13.800 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.834 16.126 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.992 13.362 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.804 14.913 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.240 15.142 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.433 13.401 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.822 13.551 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.814 15.261 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.358 14.315 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.106 14.429 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.078 16.471 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.942 16.758 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.248 16.647 -7.022 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.913 13.362 -1.457 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.674 12.775 -0.144 1.00 0.00 C ATOM 1269 C TYR A 85 -6.478 13.860 0.910 1.00 0.00 C ATOM 1270 O TYR A 85 -5.854 14.893 0.667 1.00 0.00 O ATOM 1271 CB TYR A 85 -5.448 11.861 -0.186 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.533 10.689 0.765 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.649 9.861 0.779 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -4.500 10.411 1.650 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.732 8.789 1.647 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -4.573 9.340 2.520 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.691 8.532 2.515 1.00 0.00 C ATOM 1278 OH TYR A 85 -5.769 7.466 3.381 1.00 0.00 O ATOM 0 H TYR A 85 -6.602 12.786 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.549 12.185 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.320 11.486 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.560 12.447 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.465 10.059 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.624 11.043 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.607 8.156 1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.759 9.137 3.200 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.030 6.847 3.206 1.00 0.00 H new ATOM 1288 N PRO A 86 -7.023 13.621 2.112 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.768 12.395 2.414 1.00 0.00 C ATOM 1290 C PRO A 86 -9.107 12.337 1.687 1.00 0.00 C ATOM 1291 O PRO A 86 -9.792 11.315 1.710 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.984 12.475 3.927 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.933 13.930 4.241 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.954 14.529 3.270 1.00 0.00 C ATOM 0 HA PRO A 86 -7.231 11.502 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.942 12.042 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.212 11.926 4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.917 14.387 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.614 14.096 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.230 15.548 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.948 14.571 3.688 1.00 0.00 H new ATOM 1302 N ALA A 87 -9.473 13.439 1.042 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.729 13.512 0.305 1.00 0.00 C ATOM 1304 C ALA A 87 -11.099 12.155 -0.284 1.00 0.00 C ATOM 1305 O ALA A 87 -11.973 11.460 0.235 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.636 14.560 -0.794 1.00 0.00 C ATOM 0 H ALA A 87 -8.918 14.294 1.015 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.515 13.802 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.581 14.604 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.426 15.534 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.834 14.294 -1.483 1.00 0.00 H new ATOM 1312 N VAL A 88 -10.430 11.785 -1.371 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.689 10.510 -2.031 1.00 0.00 C ATOM 1314 C VAL A 88 -9.647 9.468 -1.641 1.00 0.00 C ATOM 1315 O VAL A 88 -8.443 9.701 -1.766 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.698 10.663 -3.563 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.442 11.927 -3.969 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.277 10.674 -4.106 1.00 0.00 C ATOM 0 H VAL A 88 -9.705 12.349 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.673 10.177 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.220 9.808 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.438 12.019 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.471 11.874 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.951 12.795 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.303 10.783 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.728 11.509 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.781 9.738 -3.847 1.00 0.00 H new ATOM 1328 N LEU A 89 -10.115 8.319 -1.169 1.00 0.00 N ATOM 1329 CA LEU A 89 -9.223 7.238 -0.762 1.00 0.00 C ATOM 1330 C LEU A 89 -8.084 7.067 -1.761 1.00 0.00 C ATOM 1331 O LEU A 89 -8.157 7.512 -2.906 1.00 0.00 O ATOM 1332 CB LEU A 89 -10.003 5.929 -0.630 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.621 5.650 0.740 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -9.661 4.849 1.605 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -11.002 6.953 1.428 1.00 0.00 C ATOM 0 H LEU A 89 -11.107 8.111 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.796 7.498 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.801 5.929 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.335 5.105 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.526 5.060 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.118 4.660 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.438 3.900 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.738 5.412 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.440 6.736 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.112 7.569 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.727 7.489 0.816 1.00 0.00 H new ATOM 1347 N PRO A 90 -7.004 6.404 -1.319 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.829 6.156 -2.160 1.00 0.00 C ATOM 1349 C PRO A 90 -6.113 5.151 -3.271 1.00 0.00 C ATOM 1350 O PRO A 90 -7.155 4.497 -3.277 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.802 5.590 -1.176 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.617 4.990 -0.082 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.848 5.846 0.034 1.00 0.00 C ATOM 0 HA PRO A 90 -5.496 7.059 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.167 4.843 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.144 6.372 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.880 3.958 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.062 4.976 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.718 5.260 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.723 6.631 0.780 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.179 5.034 -4.209 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.331 4.108 -5.326 1.00 0.00 C ATOM 1363 C GLU A 91 -4.338 2.954 -5.214 1.00 0.00 C ATOM 1364 O GLU A 91 -3.434 2.818 -6.039 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.132 4.839 -6.655 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.242 5.825 -6.979 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.538 5.137 -7.363 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -7.485 4.162 -8.141 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -8.606 5.576 -6.885 1.00 0.00 O ATOM 0 H GLU A 91 -4.310 5.568 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.341 3.701 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.181 5.371 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.064 4.105 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.417 6.466 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.922 6.471 -7.796 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.514 2.127 -4.189 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.635 0.985 -3.970 1.00 0.00 C ATOM 1378 C ILE A 92 -4.001 -0.175 -4.889 1.00 0.00 C ATOM 1379 O ILE A 92 -5.151 -0.617 -4.923 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.690 0.505 -2.508 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.278 1.634 -1.561 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.794 -0.710 -2.315 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.366 1.258 -0.098 1.00 0.00 C ATOM 0 H ILE A 92 -5.257 2.226 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.622 1.318 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.715 0.217 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.255 1.934 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.913 2.501 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.844 -1.037 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.130 -1.517 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.766 -0.447 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.059 2.106 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.393 0.986 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.709 0.411 0.100 1.00 0.00 H new ATOM 1395 N THR A 93 -3.016 -0.668 -5.633 1.00 0.00 N ATOM 1396 CA THR A 93 -3.234 -1.778 -6.552 1.00 0.00 C ATOM 1397 C THR A 93 -2.316 -2.951 -6.225 1.00 0.00 C ATOM 1398 O THR A 93 -1.117 -2.908 -6.498 1.00 0.00 O ATOM 1399 CB THR A 93 -3.001 -1.351 -8.013 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.816 -0.216 -8.328 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.322 -2.492 -8.968 1.00 0.00 C ATOM 0 H THR A 93 -2.059 -0.316 -5.617 1.00 0.00 H new ATOM 0 HA THR A 93 -4.272 -2.088 -6.433 1.00 0.00 H new ATOM 0 HB THR A 93 -1.950 -1.086 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.661 0.050 -9.258 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.150 -2.167 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.680 -3.345 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.366 -2.783 -8.850 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.888 -3.998 -5.639 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.122 -5.184 -5.276 1.00 0.00 C ATOM 1411 C VAL A 94 -1.853 -6.059 -6.496 1.00 0.00 C ATOM 1412 O VAL A 94 -2.726 -6.245 -7.344 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.853 -6.021 -4.210 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -1.952 -7.132 -3.693 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.327 -5.133 -3.069 1.00 0.00 C ATOM 0 H VAL A 94 -3.880 -4.049 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.174 -4.835 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.728 -6.480 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.486 -7.713 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.667 -7.783 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.057 -6.697 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.842 -5.741 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.469 -4.644 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.011 -4.377 -3.456 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.639 -6.593 -6.577 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.254 -7.448 -7.694 1.00 0.00 C ATOM 1427 C ARG A 95 0.584 -8.629 -7.211 1.00 0.00 C ATOM 1428 O ARG A 95 1.311 -8.524 -6.223 1.00 0.00 O ATOM 1429 CB ARG A 95 0.530 -6.644 -8.733 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.221 -5.431 -9.258 1.00 0.00 C ATOM 1431 CD ARG A 95 0.179 -5.104 -10.688 1.00 0.00 C ATOM 1432 NE ARG A 95 -0.814 -4.266 -11.356 1.00 0.00 N ATOM 1433 CZ ARG A 95 -0.928 -4.173 -12.676 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -0.115 -4.862 -13.465 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -1.857 -3.389 -13.209 1.00 0.00 N ATOM 0 H ARG A 95 0.095 -6.449 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.164 -7.834 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.471 -6.315 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.781 -7.295 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.294 -5.618 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.020 -4.572 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.142 -4.594 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.309 -6.030 -11.249 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.455 -3.723 -10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.600 -5.465 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.205 -4.789 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.484 -2.858 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.944 -3.318 -14.223 1.00 0.00 H new ATOM 1449 N SER A 96 0.476 -9.751 -7.915 1.00 0.00 N ATOM 1450 CA SER A 96 1.220 -10.953 -7.556 1.00 0.00 C ATOM 1451 C SER A 96 1.075 -12.024 -8.633 1.00 0.00 C ATOM 1452 O SER A 96 0.010 -12.181 -9.229 1.00 0.00 O ATOM 1453 CB SER A 96 0.733 -11.497 -6.211 1.00 0.00 C ATOM 1454 OG SER A 96 1.609 -12.496 -5.718 1.00 0.00 O ATOM 0 H SER A 96 -0.119 -9.853 -8.737 1.00 0.00 H new ATOM 0 HA SER A 96 2.274 -10.687 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.662 -10.683 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.269 -11.911 -6.324 1.00 0.00 H new ATOM 0 HG SER A 96 1.277 -12.826 -4.857 1.00 0.00 H new ATOM 1460 N VAL A 97 2.156 -12.758 -8.878 1.00 0.00 N ATOM 1461 CA VAL A 97 2.151 -13.815 -9.882 1.00 0.00 C ATOM 1462 C VAL A 97 1.235 -14.961 -9.468 1.00 0.00 C ATOM 1463 O VAL A 97 0.599 -15.597 -10.310 1.00 0.00 O ATOM 1464 CB VAL A 97 3.568 -14.367 -10.123 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.945 -15.364 -9.038 1.00 0.00 C ATOM 1466 CG2 VAL A 97 3.664 -15.004 -11.501 1.00 0.00 C ATOM 0 H VAL A 97 3.046 -12.640 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 97 1.780 -13.372 -10.806 1.00 0.00 H new ATOM 0 HB VAL A 97 4.274 -13.538 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.950 -15.743 -9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.919 -14.871 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.237 -16.193 -9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.672 -15.389 -11.655 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.948 -15.823 -11.574 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.441 -14.258 -12.263 1.00 0.00 H new ATOM 1476 N LEU A 98 1.171 -15.220 -8.167 1.00 0.00 N ATOM 1477 CA LEU A 98 0.331 -16.290 -7.640 1.00 0.00 C ATOM 1478 C LEU A 98 -1.138 -16.039 -7.964 1.00 0.00 C ATOM 1479 O LEU A 98 -1.821 -16.905 -8.514 1.00 0.00 O ATOM 1480 CB LEU A 98 0.518 -16.414 -6.127 1.00 0.00 C ATOM 1481 CG LEU A 98 1.954 -16.295 -5.616 1.00 0.00 C ATOM 1482 CD1 LEU A 98 1.997 -16.442 -4.103 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.844 -17.336 -6.280 1.00 0.00 C ATOM 0 H LEU A 98 1.691 -14.704 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 98 0.634 -17.223 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.084 -15.645 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.119 -17.378 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 98 2.330 -15.305 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.027 -16.354 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.393 -15.659 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.602 -17.418 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.862 -17.237 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.469 -18.334 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.839 -17.184 -7.359 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.619 -14.849 -7.621 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.007 -14.482 -7.877 1.00 0.00 C ATOM 1497 C LEU A 99 -3.349 -14.643 -9.355 1.00 0.00 C ATOM 1498 O LEU A 99 -2.480 -14.940 -10.175 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.264 -13.040 -7.437 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.506 -12.828 -5.942 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.024 -11.451 -5.513 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.981 -13.006 -5.610 1.00 0.00 C ATOM 0 H LEU A 99 -1.068 -14.122 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.646 -15.151 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.410 -12.432 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.130 -12.664 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.937 -13.577 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.205 -11.318 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.957 -11.360 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.565 -10.686 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.135 -12.852 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.570 -12.280 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.296 -14.014 -5.880 1.00 0.00 H new ATOM 1514 N SER A 100 -4.620 -14.443 -9.688 1.00 0.00 N ATOM 1515 CA SER A 100 -5.078 -14.567 -11.067 1.00 0.00 C ATOM 1516 C SER A 100 -5.829 -13.313 -11.505 1.00 0.00 C ATOM 1517 O SER A 100 -6.280 -12.525 -10.675 1.00 0.00 O ATOM 1518 CB SER A 100 -5.979 -15.794 -11.219 1.00 0.00 C ATOM 1519 OG SER A 100 -5.951 -16.286 -12.548 1.00 0.00 O ATOM 0 H SER A 100 -5.351 -14.194 -9.022 1.00 0.00 H new ATOM 0 HA SER A 100 -4.203 -14.687 -11.705 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.654 -16.575 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.002 -15.534 -10.946 1.00 0.00 H new ATOM 0 HG SER A 100 -6.533 -17.071 -12.619 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.959 -13.137 -12.816 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.654 -11.979 -13.366 1.00 0.00 C ATOM 1527 C ARG A 101 -7.945 -11.706 -12.600 1.00 0.00 C ATOM 1528 O ARG A 101 -8.282 -10.554 -12.323 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.964 -12.200 -14.848 1.00 0.00 C ATOM 1530 CG ARG A 101 -7.793 -11.088 -15.469 1.00 0.00 C ATOM 1531 CD ARG A 101 -7.088 -9.744 -15.366 1.00 0.00 C ATOM 1532 NE ARG A 101 -7.811 -8.691 -16.074 1.00 0.00 N ATOM 1533 CZ ARG A 101 -7.747 -8.510 -17.388 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -6.996 -9.308 -18.134 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -8.434 -7.530 -17.959 1.00 0.00 N ATOM 0 H ARG A 101 -5.592 -13.781 -13.517 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.001 -11.112 -13.264 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.027 -12.293 -15.397 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.495 -13.145 -14.962 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.987 -11.319 -16.516 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.761 -11.032 -14.970 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.983 -9.469 -14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.081 -9.830 -15.775 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.398 -8.059 -15.529 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.466 -10.063 -17.699 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.948 -9.167 -19.143 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.013 -6.914 -17.389 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.383 -7.393 -18.968 1.00 0.00 H new ATOM 1549 N SER A 102 -8.663 -12.771 -12.261 1.00 0.00 N ATOM 1550 CA SER A 102 -9.919 -12.646 -11.531 1.00 0.00 C ATOM 1551 C SER A 102 -9.663 -12.340 -10.058 1.00 0.00 C ATOM 1552 O SER A 102 -9.951 -11.242 -9.583 1.00 0.00 O ATOM 1553 CB SER A 102 -10.740 -13.931 -11.662 1.00 0.00 C ATOM 1554 OG SER A 102 -11.554 -13.900 -12.821 1.00 0.00 O ATOM 0 H SER A 102 -8.397 -13.731 -12.480 1.00 0.00 H new ATOM 0 HA SER A 102 -10.481 -11.819 -11.964 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.071 -14.791 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.365 -14.059 -10.778 1.00 0.00 H new ATOM 0 HG SER A 102 -12.067 -14.733 -12.883 1.00 0.00 H new ATOM 1560 N GLN A 103 -9.121 -13.320 -9.343 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.827 -13.156 -7.924 1.00 0.00 C ATOM 1562 C GLN A 103 -8.238 -11.778 -7.646 1.00 0.00 C ATOM 1563 O GLN A 103 -8.832 -10.972 -6.930 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.858 -14.243 -7.454 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.513 -15.601 -7.261 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.753 -15.533 -6.391 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -9.728 -14.965 -5.298 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -10.847 -16.112 -6.871 1.00 0.00 N ATOM 0 H GLN A 103 -8.877 -14.235 -9.722 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.762 -13.249 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.052 -14.338 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.404 -13.931 -6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.779 -16.013 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.795 -16.286 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.823 -16.571 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.711 -16.097 -6.329 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.066 -11.514 -8.216 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.397 -10.233 -8.028 1.00 0.00 C ATOM 1579 C GLN A 104 -7.409 -9.094 -7.962 1.00 0.00 C ATOM 1580 O GLN A 104 -7.548 -8.431 -6.933 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.402 -9.981 -9.162 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.500 -8.781 -8.926 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.696 -8.898 -7.647 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.583 -9.426 -7.646 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.254 -8.404 -6.548 1.00 0.00 N ATOM 0 H GLN A 104 -6.561 -12.170 -8.811 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.857 -10.270 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.784 -10.869 -9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.953 -9.834 -10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.819 -8.672 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.107 -7.877 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.178 -7.975 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.758 -8.454 -5.658 1.00 0.00 H new ATOM 1594 N THR A 105 -8.115 -8.871 -9.066 1.00 0.00 N ATOM 1595 CA THR A 105 -9.114 -7.812 -9.134 1.00 0.00 C ATOM 1596 C THR A 105 -9.936 -7.748 -7.852 1.00 0.00 C ATOM 1597 O THR A 105 -9.902 -6.751 -7.131 1.00 0.00 O ATOM 1598 CB THR A 105 -10.063 -8.011 -10.330 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.313 -8.050 -11.550 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.092 -6.892 -10.397 1.00 0.00 C ATOM 0 H THR A 105 -8.013 -9.410 -9.926 1.00 0.00 H new ATOM 0 HA THR A 105 -8.572 -6.875 -9.262 1.00 0.00 H new ATOM 0 HB THR A 105 -10.587 -8.957 -10.196 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.019 -8.968 -11.724 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.751 -7.054 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.681 -6.884 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.582 -5.935 -10.509 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.674 -8.818 -7.574 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.505 -8.882 -6.378 1.00 0.00 C ATOM 1610 C GLN A 106 -10.743 -8.378 -5.158 1.00 0.00 C ATOM 1611 O GLN A 106 -11.285 -7.637 -4.336 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.982 -10.316 -6.139 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.062 -10.429 -5.075 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.411 -9.935 -5.559 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.210 -10.703 -6.096 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.674 -8.647 -5.370 1.00 0.00 N ATOM 0 H GLN A 106 -10.713 -9.652 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.371 -8.239 -6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.362 -10.724 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.130 -10.929 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.151 -11.469 -4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.763 -9.856 -4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.983 -8.046 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.567 -8.259 -5.674 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.483 -8.783 -5.044 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.645 -8.372 -3.923 1.00 0.00 C ATOM 1627 C LEU A 107 -8.427 -6.863 -3.931 1.00 0.00 C ATOM 1628 O LEU A 107 -8.492 -6.211 -2.890 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.298 -9.094 -3.976 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.332 -8.799 -2.828 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.352 -9.948 -2.645 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.588 -7.496 -3.078 1.00 0.00 C ATOM 0 H LEU A 107 -9.019 -9.396 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.158 -8.641 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.485 -10.168 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.806 -8.835 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.911 -8.693 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.673 -9.720 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.901 -10.862 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.779 -10.087 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.905 -7.302 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.021 -7.573 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.304 -6.678 -3.157 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.169 -6.313 -5.113 1.00 0.00 N ATOM 1645 CA ASN A 108 -7.943 -4.880 -5.257 1.00 0.00 C ATOM 1646 C ASN A 108 -9.135 -4.086 -4.732 1.00 0.00 C ATOM 1647 O ASN A 108 -8.979 -3.176 -3.917 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.686 -4.528 -6.724 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.239 -4.736 -7.124 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.463 -3.784 -7.209 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.869 -5.987 -7.374 1.00 0.00 N ATOM 0 H ASN A 108 -8.111 -6.839 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.065 -4.614 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.327 -5.140 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -7.962 -3.488 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.908 -6.189 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.546 -6.745 -7.291 1.00 0.00 H new ATOM 1658 N THR A 109 -10.327 -4.436 -5.205 1.00 0.00 N ATOM 1659 CA THR A 109 -11.546 -3.757 -4.785 1.00 0.00 C ATOM 1660 C THR A 109 -11.696 -3.785 -3.268 1.00 0.00 C ATOM 1661 O THR A 109 -11.723 -2.740 -2.618 1.00 0.00 O ATOM 1662 CB THR A 109 -12.794 -4.394 -5.425 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.654 -4.422 -6.849 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.049 -3.622 -5.048 1.00 0.00 C ATOM 0 H THR A 109 -10.474 -5.187 -5.880 1.00 0.00 H new ATOM 0 HA THR A 109 -11.463 -2.723 -5.120 1.00 0.00 H new ATOM 0 HB THR A 109 -12.888 -5.413 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.451 -4.830 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 109 -14.917 -4.090 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.168 -3.628 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 109 -13.962 -2.593 -5.397 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.792 -4.986 -2.710 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.937 -5.150 -1.268 1.00 0.00 C ATOM 1674 C ASP A 110 -10.934 -4.280 -0.518 1.00 0.00 C ATOM 1675 O ASP A 110 -11.314 -3.425 0.283 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.750 -6.618 -0.879 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.982 -7.454 -1.164 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.170 -7.855 -2.332 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.758 -7.708 -0.219 1.00 0.00 O ATOM 0 H ASP A 110 -11.772 -5.861 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.943 -4.834 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.901 -7.030 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.509 -6.682 0.182 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.651 -4.504 -0.782 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.592 -3.741 -0.131 1.00 0.00 C ATOM 1686 C LEU A 111 -9.034 -2.304 0.125 1.00 0.00 C ATOM 1687 O LEU A 111 -9.061 -1.846 1.268 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.327 -3.751 -0.992 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.244 -2.744 -0.605 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.927 -2.844 0.879 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -4.988 -2.965 -1.436 1.00 0.00 C ATOM 0 H LEU A 111 -9.319 -5.207 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.376 -4.212 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.895 -4.751 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.615 -3.565 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.619 -1.741 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.154 -2.120 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.827 -2.635 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.573 -3.849 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.228 -2.239 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.611 -3.973 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.224 -2.841 -2.493 1.00 0.00 H new ATOM 1703 N THR A 112 -9.383 -1.598 -0.945 1.00 0.00 N ATOM 1704 CA THR A 112 -9.826 -0.213 -0.837 1.00 0.00 C ATOM 1705 C THR A 112 -11.003 -0.086 0.124 1.00 0.00 C ATOM 1706 O THR A 112 -10.959 0.695 1.074 1.00 0.00 O ATOM 1707 CB THR A 112 -10.234 0.356 -2.209 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.149 0.227 -3.135 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.636 1.818 -2.090 1.00 0.00 C ATOM 0 H THR A 112 -9.368 -1.962 -1.898 1.00 0.00 H new ATOM 0 HA THR A 112 -8.982 0.359 -0.452 1.00 0.00 H new ATOM 0 HB THR A 112 -11.091 -0.211 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.417 0.589 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.920 2.198 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.481 1.909 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.796 2.396 -1.706 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.053 -0.860 -0.129 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.241 -0.836 0.715 1.00 0.00 C ATOM 1719 C ALA A 113 -12.866 -0.691 2.186 1.00 0.00 C ATOM 1720 O ALA A 113 -13.354 0.205 2.876 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.067 -2.095 0.500 1.00 0.00 C ATOM 0 H ALA A 113 -12.105 -1.512 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.840 0.030 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.951 -2.063 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.374 -2.155 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.469 -2.970 0.753 1.00 0.00 H new ATOM 1727 N PHE A 114 -11.998 -1.578 2.660 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.559 -1.550 4.051 1.00 0.00 C ATOM 1729 C PHE A 114 -11.314 -0.117 4.515 1.00 0.00 C ATOM 1730 O PHE A 114 -11.970 0.370 5.436 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.284 -2.379 4.222 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.429 -1.931 5.372 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -9.921 -1.949 6.667 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.132 -1.492 5.159 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.136 -1.539 7.728 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.342 -1.081 6.216 1.00 0.00 C ATOM 1737 CZ PHE A 114 -7.845 -1.103 7.502 1.00 0.00 C ATOM 0 H PHE A 114 -11.584 -2.325 2.102 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.350 -1.982 4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.556 -3.424 4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.700 -2.327 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.930 -2.288 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.734 -1.471 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.532 -1.559 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.332 -0.743 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.230 -0.780 8.329 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.364 0.552 3.871 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.030 1.930 4.217 1.00 0.00 C ATOM 1749 C LEU A 115 -11.232 2.847 4.019 1.00 0.00 C ATOM 1750 O LEU A 115 -11.640 3.558 4.937 1.00 0.00 O ATOM 1751 CB LEU A 115 -8.856 2.419 3.368 1.00 0.00 C ATOM 1752 CG LEU A 115 -7.591 1.561 3.414 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -6.721 1.826 2.195 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -6.813 1.825 4.695 1.00 0.00 C ATOM 0 H LEU A 115 -9.811 0.163 3.107 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.746 1.956 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.187 2.488 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.598 3.429 3.688 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.887 0.512 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.826 1.206 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.279 1.584 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.434 2.877 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.916 1.206 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.529 2.876 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.436 1.582 5.556 1.00 0.00 H new ATOM 1766 N GLN A 116 -11.796 2.825 2.815 1.00 0.00 N ATOM 1767 CA GLN A 116 -12.952 3.654 2.498 1.00 0.00 C ATOM 1768 C GLN A 116 -13.878 3.781 3.703 1.00 0.00 C ATOM 1769 O GLN A 116 -14.427 4.851 3.969 1.00 0.00 O ATOM 1770 CB GLN A 116 -13.718 3.067 1.311 1.00 0.00 C ATOM 1771 CG GLN A 116 -12.969 3.171 -0.008 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.298 4.441 -0.767 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -13.910 5.361 -0.225 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -12.892 4.497 -2.030 1.00 0.00 N ATOM 0 H GLN A 116 -11.471 2.242 2.044 1.00 0.00 H new ATOM 0 HA GLN A 116 -12.592 4.648 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -13.937 2.019 1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -14.675 3.580 1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.897 3.134 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.212 2.308 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.387 3.710 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -13.085 5.327 -2.591 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.049 2.681 4.429 1.00 0.00 N ATOM 1784 CA LYS A 117 -14.908 2.668 5.608 1.00 0.00 C ATOM 1785 C LYS A 117 -14.098 2.919 6.875 1.00 0.00 C ATOM 1786 O LYS A 117 -14.278 3.934 7.549 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.641 1.329 5.715 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.996 1.429 6.394 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.417 0.099 6.996 1.00 0.00 C ATOM 1790 CE LYS A 117 -18.032 -0.817 5.949 1.00 0.00 C ATOM 1791 NZ LYS A 117 -18.246 -2.194 6.474 1.00 0.00 N ATOM 0 H LYS A 117 -13.604 1.787 4.222 1.00 0.00 H new ATOM 0 HA LYS A 117 -15.640 3.469 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.775 0.917 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.018 0.627 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.957 2.187 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.743 1.755 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.552 -0.389 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.136 0.272 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.984 -0.402 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.381 -0.858 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.666 -2.787 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.334 -2.600 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.887 -2.158 7.292 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.203 1.988 7.194 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.363 2.110 8.380 1.00 0.00 C ATOM 1807 C HIS A 118 -11.631 3.448 8.392 1.00 0.00 C ATOM 1808 O HIS A 118 -11.794 4.248 9.314 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.354 0.963 8.436 1.00 0.00 C ATOM 1810 CG HIS A 118 -11.969 -0.360 8.776 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.674 -1.053 9.931 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.870 -1.116 8.105 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -12.365 -2.178 9.955 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.099 -2.241 8.859 1.00 0.00 N ATOM 0 H HIS A 118 -13.041 1.142 6.648 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.007 2.061 9.258 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -10.852 0.884 7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.588 1.199 9.175 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.324 -0.879 7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.335 -2.921 10.738 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.733 -3.001 8.613 1.00 0.00 H new ATOM 1823 N CYS A 119 -10.824 3.685 7.363 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.065 4.926 7.256 1.00 0.00 C ATOM 1825 C CYS A 119 -10.683 5.853 6.215 1.00 0.00 C ATOM 1826 O CYS A 119 -10.419 5.724 5.019 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.610 4.628 6.892 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.613 4.018 8.272 1.00 0.00 S ATOM 0 H CYS A 119 -10.679 3.034 6.591 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.095 5.426 8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.591 3.890 6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.152 5.536 6.500 1.00 0.00 H new ATOM 0 HG CYS A 119 -6.385 3.849 7.879 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.509 6.787 6.678 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.166 7.736 5.786 1.00 0.00 C ATOM 1836 C HIS A 120 -11.975 9.167 6.279 1.00 0.00 C ATOM 1837 O HIS A 120 -12.123 9.450 7.467 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.657 7.416 5.677 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.371 8.233 4.644 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.255 9.242 4.961 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.325 8.187 3.292 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -15.724 9.780 3.850 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.175 9.157 2.822 1.00 0.00 N ATOM 0 H HIS A 120 -11.739 6.907 7.665 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.710 7.647 4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.777 6.359 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.127 7.580 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.730 7.512 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -16.435 10.591 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.354 9.363 1.839 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.643 10.066 5.357 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.436 11.456 5.718 1.00 0.00 C ATOM 1854 C GLY A 121 -10.061 11.704 6.304 1.00 0.00 C ATOM 1855 O GLY A 121 -9.666 12.851 6.514 1.00 0.00 O ATOM 0 H GLY A 121 -11.514 9.856 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.569 12.081 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.195 11.758 6.440 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.330 10.628 6.571 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.990 10.733 7.137 1.00 0.00 C ATOM 1861 C ASP A 122 -6.959 10.089 6.217 1.00 0.00 C ATOM 1862 O ASP A 122 -7.306 9.506 5.189 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.943 10.075 8.517 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.252 10.214 9.269 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.972 11.206 9.030 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.557 9.331 10.099 1.00 0.00 O ATOM 0 H ASP A 122 -9.643 9.672 6.404 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.748 11.791 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.702 9.018 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.141 10.524 9.103 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.688 10.199 6.592 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.605 9.627 5.800 1.00 0.00 C ATOM 1873 C VAL A 123 -3.919 8.489 6.548 1.00 0.00 C ATOM 1874 O VAL A 123 -3.307 8.701 7.595 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.555 10.692 5.433 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -4.183 11.796 4.597 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.914 11.263 6.690 1.00 0.00 C ATOM 0 H VAL A 123 -5.383 10.679 7.439 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.053 9.239 4.885 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.775 10.218 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.426 12.539 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -4.590 11.371 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.984 12.271 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.174 12.014 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.681 11.722 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.427 10.462 7.246 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.026 7.282 6.004 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.416 6.109 6.620 1.00 0.00 C ATOM 1889 C CYS A 124 -3.180 5.013 5.587 1.00 0.00 C ATOM 1890 O CYS A 124 -4.121 4.363 5.130 1.00 0.00 O ATOM 1891 CB CYS A 124 -4.303 5.580 7.748 1.00 0.00 C ATOM 1892 SG CYS A 124 -3.993 6.350 9.355 1.00 0.00 S ATOM 0 H CYS A 124 -4.529 7.090 5.138 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.453 6.407 7.034 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.347 5.736 7.478 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.154 4.504 7.838 1.00 0.00 H new ATOM 0 HG CYS A 124 -3.604 7.578 9.180 1.00 0.00 H new ATOM 1898 N ILE A 125 -1.918 4.814 5.221 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.558 3.797 4.241 1.00 0.00 C ATOM 1900 C ILE A 125 -1.258 2.463 4.917 1.00 0.00 C ATOM 1901 O ILE A 125 -1.661 1.405 4.432 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.334 4.225 3.409 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.594 5.574 2.737 1.00 0.00 C ATOM 1904 CG2 ILE A 125 -0.004 3.164 2.370 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.583 5.500 1.595 1.00 0.00 C ATOM 0 H ILE A 125 -1.128 5.344 5.589 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.415 3.681 3.578 1.00 0.00 H new ATOM 0 HB ILE A 125 0.522 4.332 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.965 6.277 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.349 5.973 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.863 3.480 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.218 2.222 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.857 3.029 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.718 6.493 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.205 4.823 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.540 5.131 1.965 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.551 2.521 6.039 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.198 1.318 6.785 1.00 0.00 C ATOM 1919 C LEU A 126 -1.416 0.419 6.976 1.00 0.00 C ATOM 1920 O LEU A 126 -1.336 -0.796 6.803 1.00 0.00 O ATOM 1921 CB LEU A 126 0.393 1.692 8.145 1.00 0.00 C ATOM 1922 CG LEU A 126 1.909 1.891 8.187 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.341 2.416 9.547 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.626 0.588 7.864 1.00 0.00 C ATOM 0 H LEU A 126 -0.210 3.389 6.453 1.00 0.00 H new ATOM 0 HA LEU A 126 0.549 0.770 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.083 2.611 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.129 0.913 8.860 1.00 0.00 H new ATOM 0 HG LEU A 126 2.181 2.629 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.423 2.551 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.854 3.372 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.057 1.702 10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.704 0.748 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.348 -0.171 8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.340 0.253 6.867 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.543 1.027 7.332 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.778 0.282 7.545 1.00 0.00 C ATOM 1938 C ASN A 127 -4.006 -0.726 6.423 1.00 0.00 C ATOM 1939 O ASN A 127 -4.475 -1.839 6.660 1.00 0.00 O ATOM 1940 CB ASN A 127 -4.967 1.240 7.634 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.205 1.737 9.047 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -5.043 2.923 9.336 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -5.591 0.829 9.936 1.00 0.00 N ATOM 0 H ASN A 127 -2.626 2.033 7.479 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.687 -0.262 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.794 2.092 6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.864 0.736 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.766 1.104 10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -5.713 -0.143 9.652 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.670 -0.328 5.200 1.00 0.00 N ATOM 1951 CA ALA A 128 -3.835 -1.197 4.041 1.00 0.00 C ATOM 1952 C ALA A 128 -2.890 -2.391 4.112 1.00 0.00 C ATOM 1953 O ALA A 128 -3.327 -3.542 4.130 1.00 0.00 O ATOM 1954 CB ALA A 128 -3.604 -0.413 2.757 1.00 0.00 C ATOM 0 H ALA A 128 -3.282 0.591 4.986 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.857 -1.576 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.730 -1.074 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.323 0.404 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.593 -0.006 2.756 1.00 0.00 H new ATOM 1960 N THR A 129 -1.591 -2.111 4.151 1.00 0.00 N ATOM 1961 CA THR A 129 -0.584 -3.163 4.217 1.00 0.00 C ATOM 1962 C THR A 129 -0.880 -4.136 5.352 1.00 0.00 C ATOM 1963 O THR A 129 -0.496 -5.304 5.296 1.00 0.00 O ATOM 1964 CB THR A 129 0.827 -2.577 4.413 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.884 -1.831 5.634 1.00 0.00 O ATOM 1966 CG2 THR A 129 1.207 -1.678 3.245 1.00 0.00 C ATOM 0 H THR A 129 -1.212 -1.164 4.138 1.00 0.00 H new ATOM 0 HA THR A 129 -0.620 -3.696 3.267 1.00 0.00 H new ATOM 0 HB THR A 129 1.536 -3.404 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.026 -1.642 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.207 -1.276 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.193 -2.256 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.494 -0.857 3.170 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.564 -3.647 6.382 1.00 0.00 N ATOM 1975 CA GLU A 130 -1.910 -4.476 7.531 1.00 0.00 C ATOM 1976 C GLU A 130 -3.145 -5.323 7.238 1.00 0.00 C ATOM 1977 O GLU A 130 -3.342 -6.380 7.838 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.158 -3.602 8.762 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.907 -2.915 9.283 1.00 0.00 C ATOM 1980 CD GLU A 130 -1.196 -1.973 10.436 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.894 -0.961 10.214 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -0.724 -2.247 11.559 1.00 0.00 O ATOM 0 H GLU A 130 -1.889 -2.682 6.444 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.072 -5.143 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.902 -2.845 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.581 -4.218 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.190 -3.670 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.439 -2.358 8.472 1.00 0.00 H new ATOM 1989 N TRP A 131 -3.972 -4.852 6.313 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.189 -5.565 5.940 1.00 0.00 C ATOM 1991 C TRP A 131 -4.928 -6.512 4.774 1.00 0.00 C ATOM 1992 O TRP A 131 -5.682 -7.459 4.550 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.294 -4.574 5.572 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.509 -5.229 4.988 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.714 -5.416 5.603 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.635 -5.785 3.675 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.582 -6.054 4.750 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -8.945 -6.291 3.561 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -6.771 -5.903 2.584 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.407 -6.905 2.400 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.231 -6.513 1.432 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.539 -7.007 1.347 1.00 0.00 C ATOM 0 H TRP A 131 -3.823 -3.979 5.807 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.512 -6.155 6.798 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.583 -4.016 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -5.901 -3.851 4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -8.950 -5.108 6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.545 -6.310 4.967 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -5.761 -5.524 2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.415 -7.287 2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -6.571 -6.610 0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -8.869 -7.478 0.433 1.00 0.00 H new ATOM 2013 N VAL A 132 -3.857 -6.250 4.032 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.497 -7.080 2.889 1.00 0.00 C ATOM 2015 C VAL A 132 -2.692 -8.299 3.326 1.00 0.00 C ATOM 2016 O VAL A 132 -3.078 -9.438 3.062 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.681 -6.285 1.852 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -1.983 -7.228 0.884 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.578 -5.309 1.105 1.00 0.00 C ATOM 0 H VAL A 132 -3.223 -5.469 4.202 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.430 -7.409 2.431 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.917 -5.713 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.412 -6.648 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.309 -7.883 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.727 -7.830 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.986 -4.755 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.365 -5.860 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.026 -4.612 1.813 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.571 -8.051 3.996 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.711 -9.128 4.470 1.00 0.00 C ATOM 2031 C ARG A 133 -1.538 -10.336 4.900 1.00 0.00 C ATOM 2032 O ARG A 133 -1.110 -11.479 4.749 1.00 0.00 O ATOM 2033 CB ARG A 133 0.151 -8.645 5.639 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.630 -8.438 6.926 1.00 0.00 C ATOM 2035 CD ARG A 133 0.296 -8.170 8.102 1.00 0.00 C ATOM 2036 NE ARG A 133 -0.366 -8.397 9.383 1.00 0.00 N ATOM 2037 CZ ARG A 133 0.286 -8.578 10.526 1.00 0.00 C ATOM 2038 NH1 ARG A 133 1.611 -8.558 10.547 1.00 0.00 N ATOM 2039 NH2 ARG A 133 -0.388 -8.778 11.652 1.00 0.00 N ATOM 0 H ARG A 133 -1.238 -7.114 4.222 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.062 -9.428 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.945 -9.370 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.633 -7.707 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.318 -7.601 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.235 -9.321 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.172 -8.814 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.652 -7.141 8.056 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.386 -8.418 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.132 -8.403 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.109 -8.697 11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.408 -8.793 11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.114 -8.917 12.529 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.725 -10.073 5.438 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.612 -11.139 5.891 1.00 0.00 C ATOM 2055 C GLU A 134 -4.562 -11.566 4.776 1.00 0.00 C ATOM 2056 O GLU A 134 -4.470 -12.680 4.259 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.412 -10.682 7.112 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.369 -11.737 7.641 1.00 0.00 C ATOM 2059 CD GLU A 134 -4.652 -12.888 8.319 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -4.181 -13.797 7.603 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -4.560 -12.881 9.564 1.00 0.00 O ATOM 0 H GLU A 134 -3.095 -9.132 5.571 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.998 -11.996 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.719 -10.401 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.978 -9.788 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.057 -11.275 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.970 -12.123 6.817 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.477 -10.673 4.411 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.446 -10.957 3.358 1.00 0.00 C ATOM 2070 C HIS A 135 -5.776 -11.653 2.178 1.00 0.00 C ATOM 2071 O HIS A 135 -6.218 -12.714 1.738 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.115 -9.664 2.890 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.360 -9.326 3.651 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.625 -9.451 3.117 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.529 -8.865 4.912 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.519 -9.080 4.017 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -9.880 -8.721 5.116 1.00 0.00 N ATOM 0 H HIS A 135 -5.568 -9.747 4.829 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.206 -11.623 3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.406 -8.842 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.359 -9.753 1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.747 -8.650 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.590 -9.072 3.878 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.318 -8.391 5.976 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.708 -11.048 1.668 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.977 -11.611 0.540 1.00 0.00 C ATOM 2088 C ALA A 136 -3.967 -13.135 0.597 1.00 0.00 C ATOM 2089 O ALA A 136 -4.584 -13.801 -0.234 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.554 -11.073 0.511 1.00 0.00 C ATOM 0 H ALA A 136 -4.330 -10.168 2.018 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.486 -11.311 -0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.020 -11.502 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.577 -9.988 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.044 -11.343 1.436 1.00 0.00 H new ATOM 2096 N SER A 137 -3.261 -13.681 1.582 1.00 0.00 N ATOM 2097 CA SER A 137 -3.167 -15.127 1.745 1.00 0.00 C ATOM 2098 C SER A 137 -4.471 -15.805 1.336 1.00 0.00 C ATOM 2099 O SER A 137 -4.463 -16.872 0.723 1.00 0.00 O ATOM 2100 CB SER A 137 -2.829 -15.477 3.195 1.00 0.00 C ATOM 2101 OG SER A 137 -2.109 -16.696 3.271 1.00 0.00 O ATOM 0 H SER A 137 -2.746 -13.144 2.279 1.00 0.00 H new ATOM 0 HA SER A 137 -2.370 -15.490 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.239 -14.674 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 137 -3.747 -15.556 3.777 1.00 0.00 H new ATOM 0 HG SER A 137 -1.904 -16.897 4.208 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.591 -15.177 1.681 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.888 -15.734 1.342 1.00 0.00 C ATOM 2109 C GLY A 138 -7.151 -15.725 -0.150 1.00 0.00 C ATOM 2110 O GLY A 138 -7.419 -16.768 -0.747 1.00 0.00 O ATOM 0 H GLY A 138 -5.624 -14.293 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.948 -16.757 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.668 -15.165 1.849 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.076 -14.545 -0.756 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.312 -14.404 -2.187 1.00 0.00 C ATOM 2116 C TYR A 139 -6.446 -15.378 -2.981 1.00 0.00 C ATOM 2117 O TYR A 139 -6.742 -15.691 -4.134 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.026 -12.969 -2.634 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.066 -11.973 -2.175 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.196 -11.717 -2.942 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.920 -11.288 -0.975 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.150 -10.807 -2.527 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.869 -10.377 -0.552 1.00 0.00 C ATOM 2124 CZ TYR A 139 -9.982 -10.140 -1.332 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.929 -9.233 -0.914 1.00 0.00 O ATOM 0 H TYR A 139 -6.853 -13.672 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.359 -14.636 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.051 -12.666 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -6.964 -12.942 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.331 -12.238 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.050 -11.471 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.022 -10.619 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.740 -9.854 0.384 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.794 -9.033 0.036 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.375 -15.854 -2.354 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.466 -16.793 -2.999 1.00 0.00 C ATOM 2137 C VAL A 140 -4.766 -18.227 -2.575 1.00 0.00 C ATOM 2138 O VAL A 140 -5.452 -18.460 -1.580 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.997 -16.469 -2.670 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -2.078 -16.979 -3.770 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.816 -14.973 -2.463 1.00 0.00 C ATOM 0 H VAL A 140 -5.116 -15.604 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.620 -16.695 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.730 -16.976 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -1.044 -16.741 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.189 -18.059 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -2.342 -16.503 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.772 -14.761 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.101 -14.443 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.445 -14.641 -1.637 1.00 0.00 H new