USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0933 K(o=-0.093,f=-0.65) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.0067) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 25 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.18) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.0931 K(o=-0.093,f=-0.62) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : B 25 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=-0.2) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : B 41 MET CE :methyl -146:sc= 0 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.224 -18.308 -19.399 1.00 0.77 N ATOM 2 CA GLY A 1 130.885 -18.146 -18.762 1.00 0.81 C ATOM 3 C GLY A 1 130.732 -16.824 -18.029 1.00 0.65 C ATOM 4 O GLY A 1 130.530 -15.783 -18.656 1.00 0.70 O ATOM 0 H1 GLY A 1 132.269 -19.227 -19.883 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.374 -17.545 -20.090 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.963 -18.265 -18.669 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.113 -18.222 -19.528 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.721 -18.965 -18.061 1.00 0.81 H new ATOM 10 N SER A 2 130.824 -16.868 -16.698 1.00 0.55 N ATOM 11 CA SER A 2 130.689 -15.664 -15.873 1.00 0.48 C ATOM 12 C SER A 2 132.040 -14.998 -15.615 1.00 0.47 C ATOM 13 O SER A 2 132.087 -13.820 -15.260 1.00 0.71 O ATOM 14 CB SER A 2 130.008 -16.001 -14.542 1.00 0.54 C ATOM 15 OG SER A 2 128.622 -16.236 -14.720 1.00 0.67 O ATOM 0 H SER A 2 130.991 -17.723 -16.168 1.00 0.55 H new ATOM 0 HA SER A 2 130.069 -14.958 -16.426 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.476 -16.883 -14.104 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.153 -15.181 -13.839 1.00 0.54 H new ATOM 0 HG SER A 2 128.213 -16.450 -13.856 1.00 0.67 H new ATOM 21 N LEU A 3 133.135 -15.741 -15.815 1.00 0.38 N ATOM 22 CA LEU A 3 134.480 -15.193 -15.624 1.00 0.43 C ATOM 23 C LEU A 3 134.842 -14.307 -16.818 1.00 0.53 C ATOM 24 O LEU A 3 135.765 -14.600 -17.582 1.00 0.88 O ATOM 25 CB LEU A 3 135.521 -16.314 -15.436 1.00 0.48 C ATOM 26 CG LEU A 3 135.265 -17.612 -16.219 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.562 -18.149 -16.809 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.619 -18.661 -15.322 1.00 1.42 C ATOM 0 H LEU A 3 133.115 -16.718 -16.107 1.00 0.38 H new ATOM 0 HA LEU A 3 134.487 -14.591 -14.715 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.498 -15.927 -15.724 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.575 -16.558 -14.375 1.00 0.48 H new ATOM 0 HG LEU A 3 134.581 -17.386 -17.037 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.359 -19.068 -17.359 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.988 -17.408 -17.485 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.269 -18.356 -16.006 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.446 -19.572 -15.894 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.280 -18.879 -14.483 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.669 -18.283 -14.946 1.00 1.42 H new ATOM 40 N THR A 4 134.077 -13.224 -16.970 1.00 0.41 N ATOM 41 CA THR A 4 134.248 -12.270 -18.058 1.00 0.49 C ATOM 42 C THR A 4 133.864 -10.869 -17.573 1.00 0.39 C ATOM 43 O THR A 4 133.908 -10.600 -16.376 1.00 0.39 O ATOM 44 CB THR A 4 133.389 -12.684 -19.264 1.00 0.65 C ATOM 45 OG1 THR A 4 132.016 -12.733 -18.910 1.00 0.64 O ATOM 46 CG2 THR A 4 133.761 -14.036 -19.842 1.00 0.80 C ATOM 0 H THR A 4 133.316 -12.986 -16.334 1.00 0.41 H new ATOM 0 HA THR A 4 135.292 -12.260 -18.372 1.00 0.49 H new ATOM 0 HB THR A 4 133.579 -11.923 -20.021 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.486 -12.997 -19.691 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.113 -14.260 -20.689 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.799 -14.016 -20.175 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.639 -14.804 -19.078 1.00 0.80 H new ATOM 54 N TYR A 5 133.531 -9.972 -18.503 1.00 0.48 N ATOM 55 CA TYR A 5 133.173 -8.586 -18.173 1.00 0.46 C ATOM 56 C TYR A 5 132.284 -8.451 -16.930 1.00 0.42 C ATOM 57 O TYR A 5 132.483 -7.530 -16.136 1.00 0.47 O ATOM 58 CB TYR A 5 132.479 -7.930 -19.369 1.00 0.59 C ATOM 59 CG TYR A 5 132.264 -6.435 -19.221 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.175 -5.642 -18.532 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.149 -5.818 -19.776 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.980 -4.281 -18.400 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.948 -4.456 -19.647 1.00 0.90 C ATOM 64 CZ TYR A 5 131.867 -3.693 -18.959 1.00 0.65 C ATOM 65 OH TYR A 5 131.673 -2.337 -18.831 1.00 0.79 O ATOM 0 H TYR A 5 133.501 -10.181 -19.501 1.00 0.48 H new ATOM 0 HA TYR A 5 134.110 -8.079 -17.941 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.073 -8.113 -20.265 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.513 -8.411 -19.523 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.050 -6.098 -18.093 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.428 -6.412 -20.317 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.697 -3.680 -17.861 1.00 0.69 H new ATOM 0 HE2 TYR A 5 130.075 -3.992 -20.083 1.00 0.90 H new ATOM 0 HH TYR A 5 130.842 -2.081 -19.283 1.00 0.79 H new ATOM 75 N GLU A 6 131.306 -9.348 -16.748 1.00 0.48 N ATOM 76 CA GLU A 6 130.415 -9.275 -15.586 1.00 0.50 C ATOM 77 C GLU A 6 131.123 -9.681 -14.291 1.00 0.38 C ATOM 78 O GLU A 6 130.650 -9.365 -13.196 1.00 0.47 O ATOM 79 CB GLU A 6 129.187 -10.164 -15.803 1.00 0.60 C ATOM 80 CG GLU A 6 127.881 -9.511 -15.383 1.00 0.65 C ATOM 81 CD GLU A 6 126.689 -10.432 -15.551 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.376 -11.178 -14.599 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.070 -10.410 -16.635 1.00 1.16 O ATOM 0 H GLU A 6 131.114 -10.123 -17.383 1.00 0.48 H new ATOM 0 HA GLU A 6 130.103 -8.236 -15.484 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.126 -10.434 -16.857 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.316 -11.091 -15.244 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.952 -9.202 -14.340 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.724 -8.608 -15.973 1.00 0.65 H new ATOM 90 N GLU A 7 132.258 -10.369 -14.416 1.00 0.30 N ATOM 91 CA GLU A 7 133.028 -10.799 -13.252 1.00 0.29 C ATOM 92 C GLU A 7 133.802 -9.625 -12.662 1.00 0.28 C ATOM 93 O GLU A 7 133.762 -9.391 -11.453 1.00 0.46 O ATOM 94 CB GLU A 7 133.997 -11.925 -13.625 1.00 0.40 C ATOM 95 CG GLU A 7 134.231 -12.922 -12.502 1.00 0.56 C ATOM 96 CD GLU A 7 135.129 -12.371 -11.410 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.361 -12.327 -11.618 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.601 -11.980 -10.347 1.00 0.81 O ATOM 0 H GLU A 7 132.663 -10.640 -15.312 1.00 0.30 H new ATOM 0 HA GLU A 7 132.328 -11.175 -12.506 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.608 -12.455 -14.495 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.952 -11.489 -13.918 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.272 -13.208 -12.069 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.678 -13.828 -12.912 1.00 0.56 H new ATOM 105 N VAL A 8 134.493 -8.880 -13.528 1.00 0.34 N ATOM 106 CA VAL A 8 135.265 -7.718 -13.099 1.00 0.36 C ATOM 107 C VAL A 8 134.342 -6.571 -12.680 1.00 0.28 C ATOM 108 O VAL A 8 134.667 -5.807 -11.771 1.00 0.39 O ATOM 109 CB VAL A 8 136.224 -7.241 -14.215 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.454 -6.659 -15.394 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.226 -6.232 -13.672 1.00 0.77 C ATOM 0 H VAL A 8 134.532 -9.063 -14.531 1.00 0.34 H new ATOM 0 HA VAL A 8 135.860 -8.022 -12.237 1.00 0.36 H new ATOM 0 HB VAL A 8 136.775 -8.110 -14.574 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.156 -6.333 -16.162 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.792 -7.420 -15.807 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.863 -5.807 -15.058 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.890 -5.911 -14.474 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.693 -5.368 -13.274 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.813 -6.694 -12.878 1.00 0.77 H new ATOM 121 N LEU A 9 133.190 -6.458 -13.348 1.00 0.36 N ATOM 122 CA LEU A 9 132.220 -5.408 -13.038 1.00 0.49 C ATOM 123 C LEU A 9 131.884 -5.409 -11.548 1.00 0.53 C ATOM 124 O LEU A 9 132.039 -4.389 -10.873 1.00 0.73 O ATOM 125 CB LEU A 9 130.942 -5.588 -13.864 1.00 0.66 C ATOM 126 CG LEU A 9 130.741 -4.552 -14.973 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.798 -5.087 -16.040 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.213 -3.244 -14.396 1.00 0.72 C ATOM 0 H LEU A 9 132.908 -7.080 -14.105 1.00 0.36 H new ATOM 0 HA LEU A 9 132.669 -4.449 -13.296 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.953 -6.581 -14.312 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.084 -5.551 -13.192 1.00 0.66 H new ATOM 0 HG LEU A 9 131.707 -4.355 -15.438 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.667 -4.337 -16.820 1.00 0.86 H new ATOM 0 HD12 LEU A 9 130.218 -5.994 -16.476 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.832 -5.315 -15.590 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.077 -2.521 -15.200 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.257 -3.423 -13.903 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.927 -2.851 -13.672 1.00 0.72 H new ATOM 140 N GLN A 10 131.423 -6.556 -11.040 1.00 0.42 N ATOM 141 CA GLN A 10 131.060 -6.692 -9.628 1.00 0.49 C ATOM 142 C GLN A 10 132.264 -6.499 -8.701 1.00 0.43 C ATOM 143 O GLN A 10 132.092 -6.215 -7.514 1.00 0.50 O ATOM 144 CB GLN A 10 130.432 -8.067 -9.377 1.00 0.60 C ATOM 145 CG GLN A 10 128.921 -8.087 -9.543 1.00 0.69 C ATOM 146 CD GLN A 10 128.187 -7.729 -8.263 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.794 -6.581 -8.062 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.999 -8.714 -7.389 1.00 0.84 N ATOM 0 H GLN A 10 131.292 -7.406 -11.589 1.00 0.42 H new ATOM 0 HA GLN A 10 130.338 -5.907 -9.402 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.874 -8.789 -10.063 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.682 -8.392 -8.367 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.636 -7.387 -10.328 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.609 -9.078 -9.871 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.342 -9.652 -7.596 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.512 -8.531 -6.512 1.00 0.84 H new ATOM 157 N GLU A 11 133.479 -6.650 -9.236 1.00 0.41 N ATOM 158 CA GLU A 11 134.689 -6.481 -8.436 1.00 0.44 C ATOM 159 C GLU A 11 134.836 -5.029 -7.989 1.00 0.40 C ATOM 160 O GLU A 11 134.986 -4.756 -6.799 1.00 0.56 O ATOM 161 CB GLU A 11 135.927 -6.921 -9.220 1.00 0.52 C ATOM 162 CG GLU A 11 136.113 -8.430 -9.265 1.00 0.63 C ATOM 163 CD GLU A 11 137.403 -8.841 -9.947 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.487 -8.548 -9.397 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.329 -9.456 -11.032 1.00 1.64 O ATOM 0 H GLU A 11 133.647 -6.887 -10.214 1.00 0.41 H new ATOM 0 HA GLU A 11 134.600 -7.112 -7.552 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.856 -6.541 -10.239 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.811 -6.467 -8.772 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.103 -8.824 -8.249 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.270 -8.880 -9.789 1.00 0.63 H new ATOM 172 N LEU A 12 134.795 -4.098 -8.948 1.00 0.34 N ATOM 173 CA LEU A 12 134.926 -2.671 -8.649 1.00 0.34 C ATOM 174 C LEU A 12 133.874 -2.199 -7.640 1.00 0.31 C ATOM 175 O LEU A 12 134.176 -1.379 -6.771 1.00 0.39 O ATOM 176 CB LEU A 12 134.820 -1.851 -9.943 1.00 0.36 C ATOM 177 CG LEU A 12 135.762 -0.643 -10.047 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.224 0.529 -9.240 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.168 -1.009 -9.590 1.00 0.59 C ATOM 0 H LEU A 12 134.672 -4.309 -9.938 1.00 0.34 H new ATOM 0 HA LEU A 12 135.906 -2.517 -8.198 1.00 0.34 H new ATOM 0 HB2 LEU A 12 135.014 -2.513 -10.787 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.794 -1.498 -10.044 1.00 0.36 H new ATOM 0 HG LEU A 12 135.813 -0.344 -11.094 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.906 1.375 -9.327 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.243 0.813 -9.621 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.136 0.240 -8.193 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.816 -0.137 -9.673 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.138 -1.341 -8.552 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.557 -1.811 -10.217 1.00 0.59 H new ATOM 191 N VAL A 13 132.647 -2.727 -7.737 1.00 0.26 N ATOM 192 CA VAL A 13 131.579 -2.350 -6.804 1.00 0.26 C ATOM 193 C VAL A 13 131.786 -3.006 -5.432 1.00 0.22 C ATOM 194 O VAL A 13 131.234 -2.551 -4.428 1.00 0.24 O ATOM 195 CB VAL A 13 130.176 -2.708 -7.352 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.890 -4.200 -7.230 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.104 -1.894 -6.638 1.00 0.53 C ATOM 0 H VAL A 13 132.372 -3.409 -8.444 1.00 0.26 H new ATOM 0 HA VAL A 13 131.630 -1.267 -6.691 1.00 0.26 H new ATOM 0 HB VAL A 13 130.158 -2.457 -8.413 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.897 -4.414 -7.625 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.634 -4.761 -7.796 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.935 -4.495 -6.182 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.123 -2.157 -7.034 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.134 -2.110 -5.570 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.287 -0.831 -6.798 1.00 0.53 H new ATOM 207 N LYS A 14 132.610 -4.057 -5.396 1.00 0.24 N ATOM 208 CA LYS A 14 132.924 -4.753 -4.152 1.00 0.23 C ATOM 209 C LYS A 14 134.019 -3.987 -3.419 1.00 0.21 C ATOM 210 O LYS A 14 133.877 -3.655 -2.241 1.00 0.28 O ATOM 211 CB LYS A 14 133.379 -6.188 -4.435 1.00 0.30 C ATOM 212 CG LYS A 14 133.295 -7.108 -3.228 1.00 0.84 C ATOM 213 CD LYS A 14 133.004 -8.542 -3.641 1.00 0.68 C ATOM 214 CE LYS A 14 133.296 -9.519 -2.512 1.00 0.73 C ATOM 215 NZ LYS A 14 132.916 -10.915 -2.869 1.00 0.75 N ATOM 0 H LYS A 14 133.072 -4.443 -6.219 1.00 0.24 H new ATOM 0 HA LYS A 14 132.030 -4.801 -3.531 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.768 -6.601 -5.238 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.408 -6.169 -4.794 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.233 -7.071 -2.675 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.513 -6.756 -2.555 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.959 -8.631 -3.939 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.607 -8.800 -4.512 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.358 -9.484 -2.268 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.753 -9.213 -1.618 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.132 -11.548 -2.072 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.898 -10.955 -3.077 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.453 -11.218 -3.707 1.00 0.75 H new ATOM 229 N HIS A 15 135.105 -3.698 -4.144 1.00 0.25 N ATOM 230 CA HIS A 15 136.230 -2.951 -3.593 1.00 0.27 C ATOM 231 C HIS A 15 135.745 -1.618 -3.029 1.00 0.23 C ATOM 232 O HIS A 15 135.890 -1.357 -1.835 1.00 0.43 O ATOM 233 CB HIS A 15 137.298 -2.713 -4.667 1.00 0.33 C ATOM 234 CG HIS A 15 138.129 -3.922 -4.975 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.506 -3.896 -5.017 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.770 -5.198 -5.256 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.958 -5.102 -5.308 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.925 -5.911 -5.459 1.00 0.72 N ATOM 0 H HIS A 15 135.224 -3.974 -5.119 1.00 0.25 H new ATOM 0 HA HIS A 15 136.675 -3.537 -2.789 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.811 -2.376 -5.582 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.954 -1.906 -4.340 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.762 -5.583 -5.310 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.997 -5.380 -5.406 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.977 -6.903 -5.689 1.00 0.72 H new ATOM 247 N LYS A 16 135.191 -0.769 -3.904 1.00 0.21 N ATOM 248 CA LYS A 16 134.694 0.553 -3.513 1.00 0.25 C ATOM 249 C LYS A 16 133.904 0.519 -2.202 1.00 0.32 C ATOM 250 O LYS A 16 134.145 1.344 -1.319 1.00 0.62 O ATOM 251 CB LYS A 16 133.823 1.143 -4.625 1.00 0.37 C ATOM 252 CG LYS A 16 134.602 1.975 -5.633 1.00 0.50 C ATOM 253 CD LYS A 16 133.758 2.306 -6.856 1.00 0.57 C ATOM 254 CE LYS A 16 132.935 3.571 -6.646 1.00 0.59 C ATOM 255 NZ LYS A 16 131.470 3.316 -6.762 1.00 0.66 N ATOM 0 H LYS A 16 135.076 -0.979 -4.896 1.00 0.21 H new ATOM 0 HA LYS A 16 135.568 1.184 -3.353 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.319 0.331 -5.149 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.047 1.764 -4.177 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.938 2.898 -5.161 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.495 1.431 -5.942 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.407 2.433 -7.722 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.093 1.471 -7.076 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.153 3.985 -5.662 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.231 4.321 -7.380 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 130.950 4.204 -6.612 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.256 2.945 -7.710 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.181 2.620 -6.045 1.00 0.66 H new ATOM 269 N GLU A 17 132.960 -0.426 -2.065 1.00 0.32 N ATOM 270 CA GLU A 17 132.157 -0.532 -0.847 1.00 0.39 C ATOM 271 C GLU A 17 133.014 -0.966 0.342 1.00 0.32 C ATOM 272 O GLU A 17 132.811 -0.498 1.463 1.00 0.40 O ATOM 273 CB GLU A 17 131.004 -1.519 -1.054 1.00 0.51 C ATOM 274 CG GLU A 17 129.804 -1.252 -0.159 1.00 0.80 C ATOM 275 CD GLU A 17 129.038 -2.516 0.183 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.114 -2.875 -0.577 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.362 -3.146 1.211 1.00 1.47 O ATOM 0 H GLU A 17 132.739 -1.120 -2.779 1.00 0.32 H new ATOM 0 HA GLU A 17 131.746 0.454 -0.628 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.685 -1.479 -2.096 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.366 -2.531 -0.870 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.141 -0.776 0.762 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.135 -0.549 -0.655 1.00 0.80 H new ATOM 284 N LEU A 18 133.984 -1.847 0.086 1.00 0.32 N ATOM 285 CA LEU A 18 134.886 -2.319 1.133 1.00 0.34 C ATOM 286 C LEU A 18 135.676 -1.145 1.703 1.00 0.33 C ATOM 287 O LEU A 18 135.881 -1.051 2.915 1.00 0.66 O ATOM 288 CB LEU A 18 135.844 -3.382 0.585 1.00 0.53 C ATOM 289 CG LEU A 18 135.580 -4.808 1.073 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.150 -5.822 0.091 1.00 0.86 C ATOM 291 CD2 LEU A 18 136.169 -5.015 2.463 1.00 0.79 C ATOM 0 H LEU A 18 134.163 -2.246 -0.836 1.00 0.32 H new ATOM 0 HA LEU A 18 134.291 -2.771 1.927 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.789 -3.371 -0.504 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.863 -3.105 0.856 1.00 0.53 H new ATOM 0 HG LEU A 18 134.502 -4.958 1.133 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.953 -6.831 0.454 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.680 -5.689 -0.883 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.226 -5.673 -0.002 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.972 -6.035 2.794 1.00 0.79 H new ATOM 0 HD22 LEU A 18 137.245 -4.846 2.431 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.712 -4.313 3.160 1.00 0.79 H new ATOM 303 N LEU A 19 136.099 -0.238 0.816 1.00 0.43 N ATOM 304 CA LEU A 19 136.843 0.949 1.222 1.00 0.44 C ATOM 305 C LEU A 19 135.953 1.888 2.035 1.00 0.30 C ATOM 306 O LEU A 19 136.430 2.565 2.948 1.00 0.45 O ATOM 307 CB LEU A 19 137.393 1.683 -0.006 1.00 0.57 C ATOM 308 CG LEU A 19 138.876 1.441 -0.295 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.179 1.686 -1.765 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.744 2.329 0.586 1.00 0.94 C ATOM 0 H LEU A 19 135.936 -0.308 -0.189 1.00 0.43 H new ATOM 0 HA LEU A 19 137.679 0.631 1.845 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.815 1.382 -0.879 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.235 2.753 0.128 1.00 0.57 H new ATOM 0 HG LEU A 19 139.106 0.401 -0.065 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.238 1.509 -1.953 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.584 1.008 -2.377 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.932 2.717 -2.020 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.795 2.143 0.366 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.512 3.376 0.389 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.547 2.105 1.634 1.00 0.94 H new ATOM 322 N ARG A 20 134.654 1.919 1.703 1.00 0.32 N ATOM 323 CA ARG A 20 133.699 2.767 2.416 1.00 0.50 C ATOM 324 C ARG A 20 133.669 2.384 3.891 1.00 0.40 C ATOM 325 O ARG A 20 133.975 3.209 4.751 1.00 0.47 O ATOM 326 CB ARG A 20 132.295 2.647 1.807 1.00 0.78 C ATOM 327 CG ARG A 20 132.108 3.451 0.530 1.00 0.89 C ATOM 328 CD ARG A 20 132.133 4.945 0.807 1.00 0.98 C ATOM 329 NE ARG A 20 132.267 5.731 -0.419 1.00 1.06 N ATOM 330 CZ ARG A 20 131.237 6.172 -1.149 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.984 5.891 -0.794 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.464 6.896 -2.240 1.00 1.60 N ATOM 0 H ARG A 20 134.246 1.368 0.948 1.00 0.32 H new ATOM 0 HA ARG A 20 134.020 3.804 2.321 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.089 1.597 1.598 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.561 2.976 2.543 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.895 3.198 -0.180 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.160 3.182 0.064 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.217 5.233 1.323 1.00 0.98 H new ATOM 0 HD3 ARG A 20 132.962 5.175 1.477 1.00 0.98 H new ATOM 0 HE ARG A 20 133.209 5.958 -0.739 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.803 5.335 0.042 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.205 6.232 -1.358 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.421 7.113 -2.518 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.681 7.234 -2.800 1.00 1.60 H new ATOM 346 N ARG A 21 133.310 1.126 4.179 1.00 0.36 N ATOM 347 CA ARG A 21 133.256 0.628 5.554 1.00 0.37 C ATOM 348 C ARG A 21 134.541 0.967 6.311 1.00 0.35 C ATOM 349 O ARG A 21 134.492 1.342 7.479 1.00 0.49 O ATOM 350 CB ARG A 21 133.030 -0.889 5.553 1.00 0.47 C ATOM 351 CG ARG A 21 133.011 -1.517 6.941 1.00 0.71 C ATOM 352 CD ARG A 21 133.339 -3.003 6.882 1.00 0.94 C ATOM 353 NE ARG A 21 132.574 -3.778 7.858 1.00 0.95 N ATOM 354 CZ ARG A 21 131.323 -4.206 7.662 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.678 -3.924 6.531 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.710 -4.914 8.606 1.00 1.50 N ATOM 0 H ARG A 21 133.053 0.435 3.474 1.00 0.36 H new ATOM 0 HA ARG A 21 132.424 1.115 6.062 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.084 -1.104 5.056 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.815 -1.362 4.963 1.00 0.47 H new ATOM 0 HG2 ARG A 21 133.731 -1.009 7.582 1.00 0.71 H new ATOM 0 HG3 ARG A 21 132.029 -1.377 7.392 1.00 0.71 H new ATOM 0 HD2 ARG A 21 133.132 -3.379 5.880 1.00 0.94 H new ATOM 0 HD3 ARG A 21 134.404 -3.145 7.063 1.00 0.94 H new ATOM 0 HE ARG A 21 133.024 -4.006 8.745 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.139 -3.376 5.804 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.724 -4.256 6.392 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.194 -5.129 9.477 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.755 -5.242 8.459 1.00 1.50 H new ATOM 370 N LYS A 22 135.689 0.839 5.637 1.00 0.33 N ATOM 371 CA LYS A 22 136.985 1.146 6.257 1.00 0.41 C ATOM 372 C LYS A 22 136.996 2.553 6.878 1.00 0.34 C ATOM 373 O LYS A 22 137.747 2.816 7.818 1.00 0.36 O ATOM 374 CB LYS A 22 138.118 1.004 5.234 1.00 0.56 C ATOM 375 CG LYS A 22 139.027 -0.185 5.512 1.00 0.77 C ATOM 376 CD LYS A 22 140.274 -0.164 4.642 1.00 0.95 C ATOM 377 CE LYS A 22 141.314 0.811 5.173 1.00 0.76 C ATOM 378 NZ LYS A 22 142.257 0.158 6.125 1.00 0.71 N ATOM 0 H LYS A 22 135.749 0.527 4.668 1.00 0.33 H new ATOM 0 HA LYS A 22 137.144 0.427 7.061 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.689 0.901 4.237 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.714 1.917 5.231 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.318 -0.181 6.563 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.478 -1.110 5.336 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.703 -1.165 4.597 1.00 0.95 H new ATOM 0 HD3 LYS A 22 140.002 0.113 3.623 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.875 1.233 4.339 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.812 1.640 5.671 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.949 0.857 6.463 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.726 -0.222 6.934 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.755 -0.617 5.643 1.00 0.71 H new ATOM 392 N ASP A 23 136.108 3.426 6.389 1.00 0.34 N ATOM 393 CA ASP A 23 135.958 4.772 6.938 1.00 0.32 C ATOM 394 C ASP A 23 134.858 4.758 8.005 1.00 0.29 C ATOM 395 O ASP A 23 135.095 5.052 9.174 1.00 0.34 O ATOM 396 CB ASP A 23 135.615 5.775 5.830 1.00 0.37 C ATOM 397 CG ASP A 23 136.787 6.049 4.909 1.00 0.78 C ATOM 398 OD1 ASP A 23 136.934 5.321 3.904 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.557 6.992 5.192 1.00 1.15 O ATOM 0 H ASP A 23 135.481 3.220 5.611 1.00 0.34 H new ATOM 0 HA ASP A 23 136.900 5.082 7.390 1.00 0.32 H new ATOM 0 HB2 ASP A 23 134.779 5.392 5.244 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.286 6.711 6.281 1.00 0.37 H new ATOM 404 N THR A 24 133.643 4.418 7.560 1.00 0.27 N ATOM 405 CA THR A 24 132.465 4.356 8.429 1.00 0.28 C ATOM 406 C THR A 24 132.767 3.614 9.737 1.00 0.27 C ATOM 407 O THR A 24 132.326 4.037 10.807 1.00 0.32 O ATOM 408 CB THR A 24 131.300 3.678 7.696 1.00 0.31 C ATOM 409 OG1 THR A 24 131.164 4.201 6.386 1.00 0.52 O ATOM 410 CG2 THR A 24 129.961 3.842 8.392 1.00 0.53 C ATOM 0 H THR A 24 133.450 4.178 6.588 1.00 0.27 H new ATOM 0 HA THR A 24 132.185 5.379 8.682 1.00 0.28 H new ATOM 0 HB THR A 24 131.552 2.618 7.682 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.418 3.757 5.932 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.187 3.336 7.815 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.014 3.406 9.389 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.720 4.902 8.472 1.00 0.53 H new ATOM 418 N HIS A 25 133.503 2.501 9.638 1.00 0.27 N ATOM 419 CA HIS A 25 133.851 1.684 10.808 1.00 0.31 C ATOM 420 C HIS A 25 134.770 2.425 11.782 1.00 0.33 C ATOM 421 O HIS A 25 134.542 2.390 12.991 1.00 0.43 O ATOM 422 CB HIS A 25 134.501 0.367 10.368 1.00 0.37 C ATOM 423 CG HIS A 25 134.269 -0.762 11.324 1.00 0.38 C ATOM 424 ND1 HIS A 25 135.041 -0.971 12.449 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.337 -1.744 11.323 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.592 -2.033 13.096 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.560 -2.519 12.434 1.00 0.75 N ATOM 0 H HIS A 25 133.871 2.144 8.756 1.00 0.27 H new ATOM 0 HA HIS A 25 132.922 1.470 11.336 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.113 0.089 9.388 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.574 0.521 10.253 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.562 -1.890 10.585 1.00 0.92 H new ATOM 0 HE1 HIS A 25 135.001 -2.434 14.011 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.016 -3.338 12.704 1.00 0.75 H new ATOM 436 N ILE A 26 135.803 3.102 11.271 1.00 0.31 N ATOM 437 CA ILE A 26 136.705 3.846 12.150 1.00 0.35 C ATOM 438 C ILE A 26 135.945 5.008 12.790 1.00 0.34 C ATOM 439 O ILE A 26 136.053 5.242 13.995 1.00 0.46 O ATOM 440 CB ILE A 26 137.979 4.364 11.427 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.629 5.160 10.166 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.895 3.199 11.078 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.814 5.868 9.542 1.00 0.68 C ATOM 0 H ILE A 26 136.031 3.150 10.278 1.00 0.31 H new ATOM 0 HA ILE A 26 137.053 3.154 12.917 1.00 0.35 H new ATOM 0 HB ILE A 26 138.498 5.037 12.109 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.193 4.484 9.430 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.866 5.898 10.413 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.784 3.574 10.572 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.189 2.681 11.991 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.369 2.506 10.421 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.488 6.410 8.654 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.238 6.570 10.260 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.570 5.134 9.262 1.00 0.68 H new ATOM 455 N ARG A 27 135.165 5.724 11.970 1.00 0.29 N ATOM 456 CA ARG A 27 134.367 6.856 12.440 1.00 0.35 C ATOM 457 C ARG A 27 133.383 6.428 13.531 1.00 0.34 C ATOM 458 O ARG A 27 133.233 7.122 14.537 1.00 0.39 O ATOM 459 CB ARG A 27 133.606 7.489 11.271 1.00 0.44 C ATOM 460 CG ARG A 27 133.131 8.908 11.548 1.00 0.52 C ATOM 461 CD ARG A 27 131.660 8.947 11.941 1.00 0.81 C ATOM 462 NE ARG A 27 130.945 10.056 11.306 1.00 0.91 N ATOM 463 CZ ARG A 27 129.781 10.549 11.744 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.186 10.032 12.817 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.208 11.564 11.103 1.00 1.68 N ATOM 0 H ARG A 27 135.072 5.535 10.972 1.00 0.29 H new ATOM 0 HA ARG A 27 135.049 7.591 12.867 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.249 7.496 10.391 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.744 6.867 11.031 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.732 9.343 12.347 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.287 9.523 10.661 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.187 8.005 11.663 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.578 9.037 13.024 1.00 0.81 H new ATOM 0 HE ARG A 27 131.361 10.480 10.477 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.618 9.252 13.314 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.299 10.415 13.143 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.656 11.965 10.279 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.321 11.941 11.435 1.00 1.68 H new ATOM 479 N GLU A 28 132.718 5.282 13.338 1.00 0.33 N ATOM 480 CA GLU A 28 131.765 4.789 14.333 1.00 0.38 C ATOM 481 C GLU A 28 132.495 4.430 15.628 1.00 0.37 C ATOM 482 O GLU A 28 132.089 4.853 16.712 1.00 0.47 O ATOM 483 CB GLU A 28 130.953 3.596 13.801 1.00 0.48 C ATOM 484 CG GLU A 28 131.789 2.405 13.365 1.00 0.81 C ATOM 485 CD GLU A 28 130.960 1.302 12.736 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.491 1.489 11.592 1.00 1.66 O ATOM 487 OE2 GLU A 28 130.786 0.248 13.382 1.00 1.85 O ATOM 0 H GLU A 28 132.821 4.689 12.515 1.00 0.33 H new ATOM 0 HA GLU A 28 131.053 5.587 14.545 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.259 3.271 14.576 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.352 3.931 12.955 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.543 2.738 12.652 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.321 2.005 14.228 1.00 0.81 H new ATOM 494 N LEU A 29 133.584 3.656 15.509 1.00 0.34 N ATOM 495 CA LEU A 29 134.383 3.253 16.670 1.00 0.38 C ATOM 496 C LEU A 29 134.975 4.466 17.398 1.00 0.42 C ATOM 497 O LEU A 29 135.444 4.343 18.531 1.00 0.80 O ATOM 498 CB LEU A 29 135.510 2.309 16.239 1.00 0.48 C ATOM 499 CG LEU A 29 135.478 0.923 16.888 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.686 -0.051 16.028 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.893 0.408 17.118 1.00 0.58 C ATOM 0 H LEU A 29 133.930 3.298 14.619 1.00 0.34 H new ATOM 0 HA LEU A 29 133.718 2.734 17.360 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.468 2.188 15.157 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.466 2.780 16.470 1.00 0.48 H new ATOM 0 HG LEU A 29 134.983 1.007 17.855 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.674 -1.031 16.505 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.664 0.311 15.916 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.152 -0.131 15.046 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.851 -0.578 17.580 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.415 0.339 16.164 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.427 1.094 17.775 1.00 0.58 H new ATOM 513 N GLU A 30 134.928 5.641 16.760 1.00 0.42 N ATOM 514 CA GLU A 30 135.435 6.859 17.376 1.00 0.46 C ATOM 515 C GLU A 30 134.463 7.308 18.465 1.00 0.46 C ATOM 516 O GLU A 30 134.850 7.464 19.624 1.00 0.61 O ATOM 517 CB GLU A 30 135.642 7.958 16.328 1.00 0.51 C ATOM 518 CG GLU A 30 137.107 8.256 16.044 1.00 0.57 C ATOM 519 CD GLU A 30 137.761 9.076 17.142 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.163 8.486 18.166 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.869 10.310 16.975 1.00 1.24 O ATOM 0 H GLU A 30 134.545 5.768 15.823 1.00 0.42 H new ATOM 0 HA GLU A 30 136.407 6.659 17.827 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.153 7.661 15.400 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.153 8.871 16.668 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.648 7.317 15.926 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.188 8.792 15.098 1.00 0.57 H new ATOM 528 N ASP A 31 133.193 7.501 18.084 1.00 0.43 N ATOM 529 CA ASP A 31 132.150 7.911 19.031 1.00 0.58 C ATOM 530 C ASP A 31 132.099 6.963 20.233 1.00 0.59 C ATOM 531 O ASP A 31 131.784 7.383 21.349 1.00 0.78 O ATOM 532 CB ASP A 31 130.778 7.951 18.349 1.00 0.71 C ATOM 533 CG ASP A 31 130.169 9.339 18.367 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.617 9.734 19.417 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.243 10.033 17.331 1.00 1.73 O ATOM 0 H ASP A 31 132.864 7.379 17.126 1.00 0.43 H new ATOM 0 HA ASP A 31 132.400 8.912 19.382 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.877 7.613 17.317 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.105 7.255 18.849 1.00 0.71 H new ATOM 540 N TYR A 32 132.423 5.685 20.002 1.00 0.51 N ATOM 541 CA TYR A 32 132.428 4.688 21.072 1.00 0.56 C ATOM 542 C TYR A 32 133.509 5.021 22.099 1.00 0.55 C ATOM 543 O TYR A 32 133.263 4.992 23.305 1.00 0.64 O ATOM 544 CB TYR A 32 132.654 3.281 20.507 1.00 0.61 C ATOM 545 CG TYR A 32 131.378 2.582 20.094 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.409 2.256 21.034 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.144 2.250 18.766 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.242 1.618 20.662 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.978 1.612 18.385 1.00 1.19 C ATOM 550 CZ TYR A 32 129.031 1.298 19.337 1.00 1.23 C ATOM 551 OH TYR A 32 127.867 0.665 18.961 1.00 1.55 O ATOM 0 H TYR A 32 132.684 5.321 19.086 1.00 0.51 H new ATOM 0 HA TYR A 32 131.454 4.709 21.561 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.318 3.347 19.645 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.164 2.675 21.256 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.571 2.505 22.072 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.885 2.494 18.019 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.498 1.371 21.405 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.810 1.361 17.348 1.00 1.19 H new ATOM 0 HH TYR A 32 127.876 0.512 17.993 1.00 1.55 H new ATOM 561 N ILE A 33 134.704 5.354 21.604 1.00 0.53 N ATOM 562 CA ILE A 33 135.829 5.717 22.464 1.00 0.62 C ATOM 563 C ILE A 33 135.661 7.135 23.029 1.00 0.58 C ATOM 564 O ILE A 33 136.384 7.536 23.944 1.00 0.77 O ATOM 565 CB ILE A 33 137.171 5.628 21.700 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.344 4.239 21.079 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.342 5.942 22.621 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.293 4.220 19.899 1.00 0.85 C ATOM 0 H ILE A 33 134.916 5.379 20.607 1.00 0.53 H new ATOM 0 HA ILE A 33 135.842 5.004 23.289 1.00 0.62 H new ATOM 0 HB ILE A 33 137.154 6.369 20.901 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.711 3.552 21.841 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.370 3.869 20.758 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.274 5.873 22.061 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.232 6.951 23.019 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.359 5.227 23.444 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.368 3.205 19.509 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.917 4.882 19.119 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.278 4.560 20.219 1.00 0.85 H new ATOM 580 N ASP A 34 134.695 7.888 22.487 1.00 0.49 N ATOM 581 CA ASP A 34 134.429 9.250 22.944 1.00 0.54 C ATOM 582 C ASP A 34 133.898 9.251 24.376 1.00 0.44 C ATOM 583 O ASP A 34 134.206 10.150 25.146 1.00 0.47 O ATOM 584 CB ASP A 34 133.432 9.949 22.010 1.00 0.75 C ATOM 585 CG ASP A 34 134.049 11.133 21.291 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.398 12.128 21.970 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.181 11.068 20.048 1.00 1.49 O ATOM 0 H ASP A 34 134.087 7.573 21.731 1.00 0.49 H new ATOM 0 HA ASP A 34 135.370 9.800 22.925 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.063 9.233 21.276 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.571 10.286 22.588 1.00 0.75 H new ATOM 592 N ASN A 35 133.109 8.231 24.727 1.00 0.53 N ATOM 593 CA ASN A 35 132.540 8.107 26.074 1.00 0.57 C ATOM 594 C ASN A 35 133.580 8.429 27.148 1.00 0.47 C ATOM 595 O ASN A 35 133.271 9.086 28.143 1.00 0.58 O ATOM 596 CB ASN A 35 131.984 6.697 26.291 1.00 0.74 C ATOM 597 CG ASN A 35 130.622 6.507 25.647 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.592 6.799 26.254 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.611 6.017 24.411 1.00 1.32 N ATOM 0 H ASN A 35 132.848 7.475 24.094 1.00 0.53 H new ATOM 0 HA ASN A 35 131.728 8.829 26.159 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.682 5.967 25.881 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.908 6.500 27.360 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.724 5.870 23.929 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.489 5.789 23.945 1.00 1.32 H new ATOM 606 N LEU A 36 134.818 7.979 26.928 1.00 0.42 N ATOM 607 CA LEU A 36 135.910 8.237 27.866 1.00 0.47 C ATOM 608 C LEU A 36 136.236 9.731 27.911 1.00 0.42 C ATOM 609 O LEU A 36 136.392 10.308 28.989 1.00 0.53 O ATOM 610 CB LEU A 36 137.161 7.445 27.468 1.00 0.66 C ATOM 611 CG LEU A 36 136.934 5.959 27.174 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.181 5.346 26.554 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.542 5.213 28.443 1.00 1.66 C ATOM 0 H LEU A 36 135.088 7.435 26.109 1.00 0.42 H new ATOM 0 HA LEU A 36 135.589 7.915 28.857 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.598 7.910 26.584 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.895 7.531 28.269 1.00 0.66 H new ATOM 0 HG LEU A 36 136.114 5.869 26.461 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.005 4.290 26.351 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.415 5.861 25.622 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.018 5.448 27.245 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.385 4.159 28.212 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.338 5.308 29.182 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.622 5.637 28.845 1.00 1.66 H new ATOM 625 N LEU A 37 136.328 10.351 26.730 1.00 0.36 N ATOM 626 CA LEU A 37 136.623 11.780 26.625 1.00 0.40 C ATOM 627 C LEU A 37 135.485 12.520 25.907 1.00 0.32 C ATOM 628 O LEU A 37 135.691 13.152 24.868 1.00 0.42 O ATOM 629 CB LEU A 37 137.953 11.991 25.887 1.00 0.56 C ATOM 630 CG LEU A 37 138.064 11.298 24.522 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.553 12.275 23.461 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.992 10.093 24.609 1.00 0.63 C ATOM 0 H LEU A 37 136.202 9.883 25.833 1.00 0.36 H new ATOM 0 HA LEU A 37 136.711 12.190 27.631 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.105 13.061 25.746 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.763 11.635 26.524 1.00 0.56 H new ATOM 0 HG LEU A 37 137.073 10.949 24.233 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.625 11.764 22.501 1.00 0.73 H new ATOM 0 HD12 LEU A 37 137.851 13.104 23.379 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.534 12.657 23.743 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.059 9.614 23.632 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.984 10.419 24.922 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.598 9.382 25.336 1.00 0.63 H new ATOM 644 N VAL A 38 134.282 12.423 26.483 1.00 0.29 N ATOM 645 CA VAL A 38 133.077 13.060 25.940 1.00 0.41 C ATOM 646 C VAL A 38 132.004 13.163 27.032 1.00 0.38 C ATOM 647 O VAL A 38 132.239 12.757 28.173 1.00 0.61 O ATOM 648 CB VAL A 38 132.525 12.299 24.703 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.459 11.280 25.095 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.983 13.278 23.668 1.00 0.99 C ATOM 0 H VAL A 38 134.116 11.899 27.342 1.00 0.29 H new ATOM 0 HA VAL A 38 133.350 14.061 25.606 1.00 0.41 H new ATOM 0 HB VAL A 38 133.354 11.748 24.259 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.098 10.769 24.202 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.888 10.551 25.782 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.628 11.791 25.581 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.601 12.725 22.810 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.178 13.865 24.109 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.782 13.945 23.344 1.00 0.99 H new ATOM 660 N ARG A 39 130.825 13.687 26.689 1.00 0.44 N ATOM 661 CA ARG A 39 129.735 13.810 27.657 1.00 0.47 C ATOM 662 C ARG A 39 129.111 12.439 27.931 1.00 0.53 C ATOM 663 O ARG A 39 128.598 11.789 27.017 1.00 0.86 O ATOM 664 CB ARG A 39 128.668 14.786 27.140 1.00 0.59 C ATOM 665 CG ARG A 39 127.321 14.674 27.846 1.00 0.75 C ATOM 666 CD ARG A 39 127.359 15.293 29.237 1.00 0.97 C ATOM 667 NE ARG A 39 127.137 16.739 29.205 1.00 0.93 N ATOM 668 CZ ARG A 39 127.583 17.588 30.135 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.273 17.144 31.183 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.335 18.889 30.017 1.00 1.48 N ATOM 0 H ARG A 39 130.602 14.030 25.755 1.00 0.44 H new ATOM 0 HA ARG A 39 130.142 14.201 28.589 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.040 15.805 27.251 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.522 14.615 26.074 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.555 15.169 27.249 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.037 13.624 27.923 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.599 14.824 29.862 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.324 15.085 29.699 1.00 0.97 H new ATOM 0 HE ARG A 39 126.608 17.123 28.422 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.466 16.147 31.282 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.609 17.801 31.888 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.805 19.237 29.218 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.674 19.539 30.726 1.00 1.48 H new ATOM 684 N VAL A 40 129.161 12.007 29.191 1.00 0.46 N ATOM 685 CA VAL A 40 128.601 10.712 29.581 1.00 0.53 C ATOM 686 C VAL A 40 127.193 10.862 30.155 1.00 0.53 C ATOM 687 O VAL A 40 126.895 11.838 30.847 1.00 0.66 O ATOM 688 CB VAL A 40 129.493 9.982 30.612 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.773 9.485 29.956 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.811 10.883 31.800 1.00 0.78 C ATOM 0 H VAL A 40 129.582 12.532 29.957 1.00 0.46 H new ATOM 0 HA VAL A 40 128.557 10.113 28.671 1.00 0.53 H new ATOM 0 HB VAL A 40 128.940 9.120 30.985 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.387 8.974 30.698 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.524 8.793 29.152 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.325 10.332 29.548 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.439 10.343 32.508 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.337 11.772 31.452 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.884 11.179 32.290 1.00 0.78 H new ATOM 700 N MET A 41 126.334 9.885 29.862 1.00 0.53 N ATOM 701 CA MET A 41 124.954 9.899 30.347 1.00 0.60 C ATOM 702 C MET A 41 124.703 8.738 31.306 1.00 0.86 C ATOM 703 O MET A 41 125.201 8.731 32.431 1.00 1.20 O ATOM 704 CB MET A 41 123.970 9.832 29.174 1.00 0.75 C ATOM 705 CG MET A 41 124.158 8.617 28.276 1.00 0.56 C ATOM 706 SD MET A 41 122.751 8.336 27.184 1.00 0.67 S ATOM 707 CE MET A 41 123.029 9.596 25.942 1.00 0.54 C ATOM 0 H MET A 41 126.570 9.074 29.291 1.00 0.53 H new ATOM 0 HA MET A 41 124.797 10.834 30.885 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.953 9.827 29.566 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.075 10.735 28.573 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.058 8.750 27.676 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.315 7.733 28.895 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.238 9.550 25.193 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.025 10.579 26.413 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.993 9.428 25.462 1.00 0.54 H new ATOM 718 N GLY B 1 135.232 4.462 -27.517 1.00 0.61 N ATOM 719 CA GLY B 1 136.455 3.800 -28.052 1.00 0.61 C ATOM 720 C GLY B 1 136.869 2.591 -27.236 1.00 0.52 C ATOM 721 O GLY B 1 136.637 1.453 -27.645 1.00 0.60 O ATOM 0 H1 GLY B 1 134.993 5.282 -28.111 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.441 3.787 -27.523 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.408 4.780 -26.543 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.276 3.494 -29.083 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.274 4.519 -28.070 1.00 0.61 H new ATOM 727 N SER B 2 137.478 2.838 -26.077 1.00 0.50 N ATOM 728 CA SER B 2 137.923 1.759 -25.196 1.00 0.49 C ATOM 729 C SER B 2 137.110 1.718 -23.903 1.00 0.47 C ATOM 730 O SER B 2 137.549 1.137 -22.910 1.00 0.63 O ATOM 731 CB SER B 2 139.413 1.917 -24.880 1.00 0.55 C ATOM 732 OG SER B 2 140.200 1.819 -26.055 1.00 0.67 O ATOM 0 H SER B 2 137.674 3.775 -25.726 1.00 0.50 H new ATOM 0 HA SER B 2 137.765 0.815 -25.718 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.586 2.882 -24.403 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.720 1.150 -24.169 1.00 0.55 H new ATOM 0 HG SER B 2 141.147 1.925 -25.825 1.00 0.67 H new ATOM 738 N LEU B 3 135.909 2.306 -23.926 1.00 0.48 N ATOM 739 CA LEU B 3 135.034 2.295 -22.759 1.00 0.55 C ATOM 740 C LEU B 3 134.285 0.963 -22.711 1.00 0.65 C ATOM 741 O LEU B 3 133.060 0.913 -22.839 1.00 1.02 O ATOM 742 CB LEU B 3 134.051 3.474 -22.809 1.00 0.62 C ATOM 743 CG LEU B 3 134.467 4.704 -21.994 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.497 5.530 -22.752 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.250 5.553 -21.653 1.00 0.76 C ATOM 0 H LEU B 3 135.526 2.792 -24.737 1.00 0.48 H new ATOM 0 HA LEU B 3 135.632 2.403 -21.854 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.920 3.774 -23.849 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.080 3.132 -22.451 1.00 0.62 H new ATOM 0 HG LEU B 3 134.922 4.360 -21.065 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.778 6.398 -22.155 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.380 4.921 -22.946 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.071 5.863 -23.699 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.563 6.422 -21.074 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.768 5.884 -22.573 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.546 4.962 -21.067 1.00 0.76 H new ATOM 757 N THR B 4 135.048 -0.117 -22.546 1.00 0.46 N ATOM 758 CA THR B 4 134.502 -1.468 -22.500 1.00 0.55 C ATOM 759 C THR B 4 135.326 -2.334 -21.540 1.00 0.42 C ATOM 760 O THR B 4 135.990 -1.810 -20.648 1.00 0.43 O ATOM 761 CB THR B 4 134.498 -2.078 -23.911 1.00 0.72 C ATOM 762 OG1 THR B 4 135.811 -2.123 -24.445 1.00 0.70 O ATOM 763 CG2 THR B 4 133.630 -1.317 -24.892 1.00 0.90 C ATOM 0 H THR B 4 136.062 -0.077 -22.441 1.00 0.46 H new ATOM 0 HA THR B 4 133.476 -1.429 -22.135 1.00 0.55 H new ATOM 0 HB THR B 4 134.087 -3.080 -23.788 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.786 -2.516 -25.342 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.673 -1.801 -25.868 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.600 -1.309 -24.536 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.992 -0.293 -24.979 1.00 0.90 H new ATOM 771 N TYR B 5 135.245 -3.655 -21.702 1.00 0.50 N ATOM 772 CA TYR B 5 135.953 -4.615 -20.841 1.00 0.45 C ATOM 773 C TYR B 5 137.393 -4.206 -20.502 1.00 0.41 C ATOM 774 O TYR B 5 137.829 -4.402 -19.366 1.00 0.46 O ATOM 775 CB TYR B 5 135.959 -5.995 -21.505 1.00 0.57 C ATOM 776 CG TYR B 5 136.466 -7.113 -20.614 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.244 -7.096 -19.242 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.165 -8.189 -21.150 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.703 -8.116 -18.431 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.628 -9.212 -20.344 1.00 0.92 C ATOM 781 CZ TYR B 5 137.394 -9.171 -18.986 1.00 0.67 C ATOM 782 OH TYR B 5 137.850 -10.188 -18.180 1.00 0.84 O ATOM 0 H TYR B 5 134.687 -4.095 -22.434 1.00 0.50 H new ATOM 0 HA TYR B 5 135.408 -4.636 -19.897 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.946 -6.234 -21.828 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.578 -5.951 -22.401 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.703 -6.271 -18.802 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.349 -8.226 -22.214 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.521 -8.087 -17.367 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.171 -10.040 -20.776 1.00 0.92 H new ATOM 0 HH TYR B 5 138.316 -10.855 -18.727 1.00 0.84 H new ATOM 792 N GLU B 6 138.138 -3.649 -21.464 1.00 0.49 N ATOM 793 CA GLU B 6 139.525 -3.241 -21.212 1.00 0.50 C ATOM 794 C GLU B 6 139.606 -1.991 -20.331 1.00 0.38 C ATOM 795 O GLU B 6 140.654 -1.706 -19.747 1.00 0.44 O ATOM 796 CB GLU B 6 140.252 -2.986 -22.534 1.00 0.62 C ATOM 797 CG GLU B 6 141.656 -3.564 -22.578 1.00 0.68 C ATOM 798 CD GLU B 6 142.376 -3.244 -23.873 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.037 -2.186 -23.939 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.278 -4.050 -24.822 1.00 1.14 O ATOM 0 H GLU B 6 137.809 -3.472 -22.413 1.00 0.49 H new ATOM 0 HA GLU B 6 140.009 -4.059 -20.678 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.667 -3.413 -23.349 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.305 -1.911 -22.708 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.233 -3.173 -21.740 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.604 -4.646 -22.453 1.00 0.68 H new ATOM 807 N GLU B 7 138.497 -1.258 -20.224 1.00 0.32 N ATOM 808 CA GLU B 7 138.451 -0.053 -19.399 1.00 0.29 C ATOM 809 C GLU B 7 138.348 -0.422 -17.923 1.00 0.27 C ATOM 810 O GLU B 7 139.095 0.098 -17.093 1.00 0.43 O ATOM 811 CB GLU B 7 137.267 0.833 -19.796 1.00 0.43 C ATOM 812 CG GLU B 7 137.538 2.319 -19.628 1.00 0.57 C ATOM 813 CD GLU B 7 137.510 2.756 -18.175 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.401 2.903 -17.619 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.598 2.950 -17.593 1.00 0.80 O ATOM 0 H GLU B 7 137.621 -1.478 -20.698 1.00 0.32 H new ATOM 0 HA GLU B 7 139.374 0.503 -19.563 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.008 0.634 -20.836 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.401 0.559 -19.194 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.511 2.558 -20.057 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.795 2.886 -20.189 1.00 0.57 H new ATOM 822 N VAL B 8 137.427 -1.337 -17.606 1.00 0.35 N ATOM 823 CA VAL B 8 137.234 -1.791 -16.233 1.00 0.37 C ATOM 824 C VAL B 8 138.410 -2.654 -15.771 1.00 0.28 C ATOM 825 O VAL B 8 138.782 -2.629 -14.598 1.00 0.40 O ATOM 826 CB VAL B 8 135.911 -2.579 -16.084 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.977 -3.909 -16.824 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.570 -2.791 -14.616 1.00 0.78 C ATOM 0 H VAL B 8 136.805 -1.776 -18.285 1.00 0.35 H new ATOM 0 HA VAL B 8 137.181 -0.904 -15.601 1.00 0.37 H new ATOM 0 HB VAL B 8 135.116 -1.986 -16.535 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.033 -4.441 -16.702 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.156 -3.727 -17.884 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.789 -4.512 -16.417 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.636 -3.347 -14.536 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.370 -3.354 -14.134 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.460 -1.824 -14.125 1.00 0.78 H new ATOM 838 N LEU B 9 138.993 -3.417 -16.702 1.00 0.35 N ATOM 839 CA LEU B 9 140.129 -4.282 -16.388 1.00 0.49 C ATOM 840 C LEU B 9 141.237 -3.490 -15.694 1.00 0.52 C ATOM 841 O LEU B 9 141.659 -3.840 -14.590 1.00 0.74 O ATOM 842 CB LEU B 9 140.676 -4.943 -17.658 1.00 0.65 C ATOM 843 CG LEU B 9 140.392 -6.443 -17.778 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.473 -6.889 -19.230 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.362 -7.242 -16.916 1.00 0.76 C ATOM 0 H LEU B 9 138.695 -3.451 -17.677 1.00 0.35 H new ATOM 0 HA LEU B 9 139.779 -5.061 -15.711 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.251 -4.437 -18.525 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.754 -4.788 -17.695 1.00 0.65 H new ATOM 0 HG LEU B 9 139.380 -6.630 -17.419 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.268 -7.958 -19.294 1.00 0.85 H new ATOM 0 HD12 LEU B 9 139.737 -6.342 -19.820 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.472 -6.687 -19.618 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.145 -8.306 -17.014 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.384 -7.049 -17.243 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.252 -6.944 -15.873 1.00 0.76 H new ATOM 857 N GLN B 10 141.702 -2.420 -16.347 1.00 0.41 N ATOM 858 CA GLN B 10 142.762 -1.572 -15.797 1.00 0.48 C ATOM 859 C GLN B 10 142.334 -0.881 -14.498 1.00 0.42 C ATOM 860 O GLN B 10 143.184 -0.445 -13.720 1.00 0.48 O ATOM 861 CB GLN B 10 143.182 -0.520 -16.826 1.00 0.58 C ATOM 862 CG GLN B 10 144.313 -0.973 -17.735 1.00 0.66 C ATOM 863 CD GLN B 10 145.683 -0.677 -17.154 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.308 -1.540 -16.538 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.160 0.549 -17.348 1.00 0.83 N ATOM 0 H GLN B 10 141.359 -2.121 -17.260 1.00 0.41 H new ATOM 0 HA GLN B 10 143.607 -2.221 -15.565 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.319 -0.258 -17.438 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.489 0.386 -16.303 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.223 -2.044 -17.915 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.218 -0.478 -18.702 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.609 1.235 -17.865 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.077 0.804 -16.980 1.00 0.83 H new ATOM 874 N GLU B 11 141.023 -0.781 -14.261 1.00 0.40 N ATOM 875 CA GLU B 11 140.515 -0.145 -13.048 1.00 0.42 C ATOM 876 C GLU B 11 140.888 -0.966 -11.817 1.00 0.37 C ATOM 877 O GLU B 11 141.476 -0.439 -10.872 1.00 0.54 O ATOM 878 CB GLU B 11 138.997 0.038 -13.122 1.00 0.48 C ATOM 879 CG GLU B 11 138.569 1.220 -13.978 1.00 0.62 C ATOM 880 CD GLU B 11 137.071 1.453 -13.947 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.547 1.816 -12.871 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.422 1.271 -14.999 1.00 1.61 O ATOM 0 H GLU B 11 140.300 -1.131 -14.890 1.00 0.40 H new ATOM 0 HA GLU B 11 140.976 0.839 -12.965 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.549 -0.871 -13.522 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.605 0.169 -12.113 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.080 2.118 -13.631 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.885 1.051 -15.007 1.00 0.62 H new ATOM 889 N LEU B 12 140.541 -2.258 -11.827 1.00 0.32 N ATOM 890 CA LEU B 12 140.841 -3.150 -10.707 1.00 0.30 C ATOM 891 C LEU B 12 142.339 -3.178 -10.381 1.00 0.28 C ATOM 892 O LEU B 12 142.715 -3.227 -9.210 1.00 0.36 O ATOM 893 CB LEU B 12 140.341 -4.568 -11.016 1.00 0.32 C ATOM 894 CG LEU B 12 139.720 -5.329 -9.837 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.804 -5.891 -8.929 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.771 -4.433 -9.050 1.00 0.54 C ATOM 0 H LEU B 12 140.051 -2.707 -12.601 1.00 0.32 H new ATOM 0 HA LEU B 12 140.322 -2.764 -9.830 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.601 -4.506 -11.814 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.177 -5.152 -11.401 1.00 0.32 H new ATOM 0 HG LEU B 12 139.143 -6.162 -10.239 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.342 -6.427 -8.100 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.435 -6.575 -9.496 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.412 -5.074 -8.540 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.344 -4.996 -8.220 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.319 -3.574 -8.662 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.970 -4.088 -9.704 1.00 0.54 H new ATOM 908 N VAL B 13 143.193 -3.129 -11.412 1.00 0.25 N ATOM 909 CA VAL B 13 144.644 -3.132 -11.201 1.00 0.26 C ATOM 910 C VAL B 13 145.136 -1.768 -10.696 1.00 0.22 C ATOM 911 O VAL B 13 146.221 -1.665 -10.120 1.00 0.26 O ATOM 912 CB VAL B 13 145.418 -3.525 -12.483 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.468 -2.373 -13.480 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.823 -3.996 -12.132 1.00 0.52 C ATOM 0 H VAL B 13 142.907 -3.087 -12.390 1.00 0.25 H new ATOM 0 HA VAL B 13 144.844 -3.886 -10.440 1.00 0.26 H new ATOM 0 HB VAL B 13 144.883 -4.347 -12.958 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.019 -2.684 -14.368 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.453 -2.092 -13.762 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.968 -1.518 -13.024 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.354 -4.269 -13.044 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.360 -3.194 -11.626 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.762 -4.863 -11.475 1.00 0.52 H new ATOM 924 N LYS B 14 144.309 -0.736 -10.882 1.00 0.24 N ATOM 925 CA LYS B 14 144.631 0.608 -10.414 1.00 0.25 C ATOM 926 C LYS B 14 144.279 0.716 -8.936 1.00 0.22 C ATOM 927 O LYS B 14 145.108 1.119 -8.117 1.00 0.29 O ATOM 928 CB LYS B 14 143.863 1.660 -11.220 1.00 0.34 C ATOM 929 CG LYS B 14 144.452 3.057 -11.124 1.00 0.87 C ATOM 930 CD LYS B 14 144.218 3.848 -12.400 1.00 0.75 C ATOM 931 CE LYS B 14 144.448 5.337 -12.186 1.00 0.70 C ATOM 932 NZ LYS B 14 144.323 6.110 -13.454 1.00 0.72 N ATOM 0 H LYS B 14 143.409 -0.810 -11.356 1.00 0.24 H new ATOM 0 HA LYS B 14 145.697 0.791 -10.552 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.840 1.357 -12.267 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.830 1.687 -10.873 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.006 3.584 -10.281 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.522 2.989 -10.927 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.885 3.485 -13.182 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.199 3.683 -12.749 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.728 5.714 -11.459 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.440 5.493 -11.763 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.487 7.119 -13.263 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.027 5.769 -14.140 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.368 5.983 -13.846 1.00 0.72 H new ATOM 946 N HIS B 15 143.041 0.333 -8.607 1.00 0.24 N ATOM 947 CA HIS B 15 142.560 0.358 -7.230 1.00 0.27 C ATOM 948 C HIS B 15 143.490 -0.457 -6.336 1.00 0.25 C ATOM 949 O HIS B 15 144.084 0.079 -5.402 1.00 0.45 O ATOM 950 CB HIS B 15 141.132 -0.195 -7.147 1.00 0.33 C ATOM 951 CG HIS B 15 140.084 0.760 -7.630 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.946 1.054 -6.910 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.004 1.491 -8.768 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.214 1.923 -7.583 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.833 2.205 -8.714 1.00 0.76 N ATOM 0 H HIS B 15 142.353 0.001 -9.283 1.00 0.24 H new ATOM 0 HA HIS B 15 142.551 1.392 -6.885 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.073 -1.112 -7.734 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.916 -0.464 -6.113 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.728 1.509 -9.569 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.268 2.334 -7.262 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.496 2.848 -9.431 1.00 0.76 H new ATOM 964 N LYS B 16 143.594 -1.762 -6.621 1.00 0.21 N ATOM 965 CA LYS B 16 144.438 -2.673 -5.842 1.00 0.27 C ATOM 966 C LYS B 16 145.808 -2.071 -5.515 1.00 0.36 C ATOM 967 O LYS B 16 146.244 -2.129 -4.363 1.00 0.69 O ATOM 968 CB LYS B 16 144.623 -3.996 -6.592 1.00 0.35 C ATOM 969 CG LYS B 16 143.567 -5.038 -6.258 1.00 0.46 C ATOM 970 CD LYS B 16 143.624 -6.219 -7.216 1.00 0.49 C ATOM 971 CE LYS B 16 144.621 -7.273 -6.752 1.00 0.53 C ATOM 972 NZ LYS B 16 145.704 -7.505 -7.752 1.00 0.61 N ATOM 0 H LYS B 16 143.099 -2.211 -7.392 1.00 0.21 H new ATOM 0 HA LYS B 16 143.924 -2.850 -4.897 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.603 -3.802 -7.664 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.608 -4.401 -6.359 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.712 -5.390 -5.237 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.578 -4.582 -6.300 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.634 -6.667 -7.301 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.901 -5.868 -8.210 1.00 0.49 H new ATOM 0 HE2 LYS B 16 145.063 -6.960 -5.806 1.00 0.53 H new ATOM 0 HE3 LYS B 16 144.096 -8.209 -6.564 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.358 -8.230 -7.393 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.286 -7.829 -8.648 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.224 -6.619 -7.913 1.00 0.61 H new ATOM 986 N GLU B 17 146.492 -1.494 -6.514 1.00 0.30 N ATOM 987 CA GLU B 17 147.808 -0.893 -6.291 1.00 0.38 C ATOM 988 C GLU B 17 147.704 0.352 -5.410 1.00 0.32 C ATOM 989 O GLU B 17 148.573 0.600 -4.573 1.00 0.40 O ATOM 990 CB GLU B 17 148.463 -0.537 -7.628 1.00 0.51 C ATOM 991 CG GLU B 17 149.982 -0.511 -7.577 1.00 0.80 C ATOM 992 CD GLU B 17 150.584 0.476 -8.558 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.850 0.080 -9.713 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.790 1.646 -8.172 1.00 1.49 O ATOM 0 H GLU B 17 146.156 -1.433 -7.475 1.00 0.30 H new ATOM 0 HA GLU B 17 148.428 -1.625 -5.774 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.146 -1.258 -8.381 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.102 0.440 -7.950 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.303 -0.255 -6.567 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.366 -1.509 -7.790 1.00 0.80 H new ATOM 1001 N LEU B 18 146.625 1.118 -5.587 1.00 0.32 N ATOM 1002 CA LEU B 18 146.397 2.319 -4.786 1.00 0.34 C ATOM 1003 C LEU B 18 146.270 1.943 -3.311 1.00 0.35 C ATOM 1004 O LEU B 18 146.797 2.633 -2.437 1.00 0.66 O ATOM 1005 CB LEU B 18 145.135 3.051 -5.254 1.00 0.51 C ATOM 1006 CG LEU B 18 145.384 4.372 -5.984 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.203 4.716 -6.880 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.648 5.493 -4.987 1.00 0.75 C ATOM 0 H LEU B 18 145.898 0.927 -6.277 1.00 0.32 H new ATOM 0 HA LEU B 18 147.248 2.988 -4.913 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.574 2.389 -5.914 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.504 3.246 -4.387 1.00 0.51 H new ATOM 0 HG LEU B 18 146.268 4.258 -6.611 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.397 5.659 -7.392 1.00 0.81 H new ATOM 0 HD12 LEU B 18 144.063 3.925 -7.617 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.302 4.811 -6.274 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.823 6.425 -5.525 1.00 0.75 H new ATOM 0 HD22 LEU B 18 144.784 5.609 -4.332 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.526 5.249 -4.389 1.00 0.75 H new ATOM 1020 N LEU B 19 145.584 0.826 -3.052 1.00 0.45 N ATOM 1021 CA LEU B 19 145.403 0.330 -1.692 1.00 0.47 C ATOM 1022 C LEU B 19 146.738 -0.135 -1.110 1.00 0.33 C ATOM 1023 O LEU B 19 146.973 -0.002 0.093 1.00 0.45 O ATOM 1024 CB LEU B 19 144.394 -0.821 -1.669 1.00 0.63 C ATOM 1025 CG LEU B 19 142.987 -0.441 -1.201 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.961 -1.419 -1.751 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.924 -0.394 0.320 1.00 0.96 C ATOM 0 H LEU B 19 145.146 0.250 -3.770 1.00 0.45 H new ATOM 0 HA LEU B 19 145.018 1.146 -1.081 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.325 -1.243 -2.671 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.777 -1.607 -1.018 1.00 0.63 H new ATOM 0 HG LEU B 19 142.753 0.552 -1.583 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.966 -1.134 -1.408 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.989 -1.401 -2.841 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.192 -2.424 -1.399 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.916 -0.122 0.634 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.179 -1.373 0.725 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.632 0.347 0.691 1.00 0.96 H new ATOM 1039 N ARG B 20 147.614 -0.671 -1.973 1.00 0.35 N ATOM 1040 CA ARG B 20 148.929 -1.140 -1.538 1.00 0.49 C ATOM 1041 C ARG B 20 149.715 0.015 -0.927 1.00 0.40 C ATOM 1042 O ARG B 20 150.085 -0.041 0.245 1.00 0.49 O ATOM 1043 CB ARG B 20 149.710 -1.750 -2.712 1.00 0.76 C ATOM 1044 CG ARG B 20 149.283 -3.166 -3.064 1.00 0.85 C ATOM 1045 CD ARG B 20 149.667 -4.149 -1.971 1.00 0.96 C ATOM 1046 NE ARG B 20 149.004 -5.443 -2.134 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.507 -6.464 -2.835 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.676 -6.347 -3.463 1.00 1.68 N ATOM 1049 NH2 ARG B 20 148.834 -7.608 -2.909 1.00 1.59 N ATOM 0 H ARG B 20 147.433 -0.788 -2.970 1.00 0.35 H new ATOM 0 HA ARG B 20 148.787 -1.916 -0.785 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.585 -1.114 -3.589 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.772 -1.751 -2.468 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.204 -3.195 -3.218 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.748 -3.465 -4.004 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.747 -4.293 -1.977 1.00 0.96 H new ATOM 0 HD3 ARG B 20 149.407 -3.729 -0.999 1.00 0.96 H new ATOM 0 HE ARG B 20 148.099 -5.575 -1.683 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.197 -5.472 -3.412 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.050 -7.133 -3.995 1.00 1.68 H new ATOM 0 HH21 ARG B 20 147.938 -7.704 -2.432 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.214 -8.390 -3.443 1.00 1.59 H new ATOM 1063 N ARG B 21 149.957 1.066 -1.722 1.00 0.35 N ATOM 1064 CA ARG B 21 150.685 2.245 -1.251 1.00 0.35 C ATOM 1065 C ARG B 21 150.121 2.744 0.081 1.00 0.34 C ATOM 1066 O ARG B 21 150.876 3.129 0.969 1.00 0.47 O ATOM 1067 CB ARG B 21 150.614 3.358 -2.303 1.00 0.45 C ATOM 1068 CG ARG B 21 151.300 4.653 -1.887 1.00 0.70 C ATOM 1069 CD ARG B 21 150.752 5.845 -2.662 1.00 0.98 C ATOM 1070 NE ARG B 21 151.789 6.827 -2.971 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.624 6.736 -4.011 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.563 5.696 -4.841 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.531 7.686 -4.218 1.00 1.53 N ATOM 0 H ARG B 21 149.657 1.121 -2.695 1.00 0.35 H new ATOM 0 HA ARG B 21 151.726 1.964 -1.094 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.068 2.999 -3.227 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.567 3.569 -2.523 1.00 0.45 H new ATOM 0 HG2 ARG B 21 151.158 4.815 -0.819 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.373 4.569 -2.057 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.297 5.495 -3.589 1.00 0.98 H new ATOM 0 HD3 ARG B 21 149.963 6.323 -2.081 1.00 0.98 H new ATOM 0 HE ARG B 21 151.882 7.634 -2.354 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.875 4.960 -4.686 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.205 5.636 -5.632 1.00 2.12 H new ATOM 0 HH21 ARG B 21 153.589 8.483 -3.584 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.169 7.618 -5.011 1.00 1.53 H new ATOM 1087 N LYS B 22 148.790 2.728 0.215 1.00 0.30 N ATOM 1088 CA LYS B 22 148.135 3.173 1.452 1.00 0.36 C ATOM 1089 C LYS B 22 148.704 2.453 2.688 1.00 0.31 C ATOM 1090 O LYS B 22 148.664 2.988 3.797 1.00 0.36 O ATOM 1091 CB LYS B 22 146.620 2.961 1.364 1.00 0.47 C ATOM 1092 CG LYS B 22 145.838 4.264 1.277 1.00 0.69 C ATOM 1093 CD LYS B 22 144.342 4.042 1.441 1.00 0.86 C ATOM 1094 CE LYS B 22 143.956 3.857 2.902 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.614 5.152 3.556 1.00 0.70 N ATOM 0 H LYS B 22 148.148 2.414 -0.513 1.00 0.30 H new ATOM 0 HA LYS B 22 148.338 4.238 1.565 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.395 2.350 0.490 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.286 2.402 2.238 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.189 4.950 2.048 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.031 4.739 0.315 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.801 4.892 1.027 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.040 3.163 0.871 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.104 3.180 2.969 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.780 3.386 3.438 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.357 4.982 4.549 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.435 5.789 3.515 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.811 5.590 3.061 1.00 0.70 H new ATOM 1109 N ASP B 23 149.301 1.276 2.466 1.00 0.32 N ATOM 1110 CA ASP B 23 149.957 0.524 3.534 1.00 0.32 C ATOM 1111 C ASP B 23 151.444 0.892 3.569 1.00 0.30 C ATOM 1112 O ASP B 23 151.953 1.411 4.559 1.00 0.37 O ATOM 1113 CB ASP B 23 149.784 -0.984 3.320 1.00 0.36 C ATOM 1114 CG ASP B 23 148.363 -1.448 3.570 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.560 -1.441 2.613 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.053 -1.819 4.723 1.00 1.11 O ATOM 0 H ASP B 23 149.341 0.825 1.552 1.00 0.32 H new ATOM 0 HA ASP B 23 149.497 0.782 4.488 1.00 0.32 H new ATOM 0 HB2 ASP B 23 150.071 -1.238 2.300 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.460 -1.522 3.985 1.00 0.36 H new ATOM 1121 N THR B 24 152.125 0.596 2.457 1.00 0.28 N ATOM 1122 CA THR B 24 153.558 0.866 2.305 1.00 0.29 C ATOM 1123 C THR B 24 153.922 2.282 2.770 1.00 0.27 C ATOM 1124 O THR B 24 154.947 2.477 3.423 1.00 0.32 O ATOM 1125 CB THR B 24 153.981 0.672 0.842 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.447 -0.535 0.325 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.485 0.625 0.641 1.00 0.55 C ATOM 0 H THR B 24 151.699 0.163 1.638 1.00 0.28 H new ATOM 0 HA THR B 24 154.095 0.158 2.936 1.00 0.29 H new ATOM 0 HB THR B 24 153.591 1.544 0.317 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.725 -0.642 -0.609 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.706 0.486 -0.417 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.927 1.560 0.984 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.903 -0.205 1.211 1.00 0.55 H new ATOM 1135 N HIS B 25 153.081 3.263 2.419 1.00 0.26 N ATOM 1136 CA HIS B 25 153.313 4.664 2.786 1.00 0.29 C ATOM 1137 C HIS B 25 153.235 4.891 4.298 1.00 0.31 C ATOM 1138 O HIS B 25 154.091 5.572 4.863 1.00 0.41 O ATOM 1139 CB HIS B 25 152.320 5.580 2.064 1.00 0.34 C ATOM 1140 CG HIS B 25 152.853 6.956 1.807 1.00 0.34 C ATOM 1141 ND1 HIS B 25 152.820 7.968 2.745 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.445 7.483 0.710 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.368 9.056 2.234 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.756 8.788 1.001 1.00 0.74 N ATOM 0 H HIS B 25 152.230 3.110 1.878 1.00 0.26 H new ATOM 0 HA HIS B 25 154.327 4.911 2.471 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.042 5.124 1.114 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.410 5.657 2.659 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.637 6.972 -0.222 1.00 0.94 H new ATOM 0 HE1 HIS B 25 153.480 10.004 2.739 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.213 9.444 0.367 1.00 0.74 H new ATOM 1153 N ILE B 26 152.224 4.322 4.962 1.00 0.29 N ATOM 1154 CA ILE B 26 152.107 4.487 6.411 1.00 0.35 C ATOM 1155 C ILE B 26 153.276 3.779 7.097 1.00 0.35 C ATOM 1156 O ILE B 26 153.901 4.334 8.004 1.00 0.47 O ATOM 1157 CB ILE B 26 150.755 3.975 6.980 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.468 2.534 6.546 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.621 4.892 6.545 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.275 1.913 7.243 1.00 0.68 C ATOM 0 H ILE B 26 151.492 3.757 4.531 1.00 0.29 H new ATOM 0 HA ILE B 26 152.137 5.557 6.618 1.00 0.35 H new ATOM 0 HB ILE B 26 150.827 3.985 8.068 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.299 2.515 5.469 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.350 1.923 6.741 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.679 4.523 6.950 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.805 5.900 6.916 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.566 4.911 5.457 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.134 0.893 6.884 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.449 1.898 8.319 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.382 2.500 7.028 1.00 0.68 H new ATOM 1172 N ARG B 27 153.571 2.554 6.646 1.00 0.31 N ATOM 1173 CA ARG B 27 154.672 1.763 7.193 1.00 0.37 C ATOM 1174 C ARG B 27 156.009 2.493 7.049 1.00 0.34 C ATOM 1175 O ARG B 27 156.810 2.511 7.984 1.00 0.39 O ATOM 1176 CB ARG B 27 154.743 0.401 6.495 1.00 0.46 C ATOM 1177 CG ARG B 27 155.521 -0.647 7.278 1.00 0.53 C ATOM 1178 CD ARG B 27 156.942 -0.807 6.754 1.00 0.80 C ATOM 1179 NE ARG B 27 157.353 -2.212 6.686 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.626 -2.620 6.629 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.623 -1.737 6.624 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.904 -3.919 6.574 1.00 1.67 N ATOM 0 H ARG B 27 153.056 2.089 5.898 1.00 0.31 H new ATOM 0 HA ARG B 27 154.480 1.614 8.256 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.730 0.037 6.324 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.205 0.528 5.516 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.552 -0.365 8.331 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.002 -1.604 7.219 1.00 0.53 H new ATOM 0 HD2 ARG B 27 157.014 -0.361 5.762 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.629 -0.260 7.400 1.00 0.80 H new ATOM 0 HE ARG B 27 156.622 -2.924 6.682 1.00 0.90 H new ATOM 0 HH11 ARG B 27 159.420 -0.738 6.664 1.00 1.21 H new ATOM 0 HH12 ARG B 27 160.590 -2.060 6.580 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.147 -4.603 6.575 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.874 -4.232 6.530 1.00 1.67 H new ATOM 1196 N GLU B 28 156.250 3.100 5.880 1.00 0.33 N ATOM 1197 CA GLU B 28 157.497 3.831 5.655 1.00 0.36 C ATOM 1198 C GLU B 28 157.568 5.050 6.575 1.00 0.35 C ATOM 1199 O GLU B 28 158.575 5.261 7.255 1.00 0.44 O ATOM 1200 CB GLU B 28 157.661 4.237 4.180 1.00 0.47 C ATOM 1201 CG GLU B 28 156.539 5.104 3.635 1.00 0.78 C ATOM 1202 CD GLU B 28 156.675 5.382 2.150 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.449 4.450 1.349 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.002 6.532 1.789 1.00 1.79 O ATOM 0 H GLU B 28 155.607 3.099 5.088 1.00 0.33 H new ATOM 0 HA GLU B 28 158.326 3.165 5.896 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.604 4.772 4.067 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.732 3.334 3.574 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.584 4.613 3.821 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.522 6.050 4.176 1.00 0.78 H new ATOM 1211 N LEU B 29 156.488 5.841 6.608 1.00 0.33 N ATOM 1212 CA LEU B 29 156.420 7.030 7.463 1.00 0.38 C ATOM 1213 C LEU B 29 156.544 6.669 8.950 1.00 0.42 C ATOM 1214 O LEU B 29 156.775 7.545 9.783 1.00 0.79 O ATOM 1215 CB LEU B 29 155.106 7.781 7.226 1.00 0.46 C ATOM 1216 CG LEU B 29 155.261 9.223 6.737 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.262 9.274 5.217 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.155 10.104 7.305 1.00 0.59 C ATOM 0 H LEU B 29 155.649 5.678 6.051 1.00 0.33 H new ATOM 0 HA LEU B 29 157.261 7.670 7.197 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.516 7.228 6.495 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.537 7.788 8.156 1.00 0.46 H new ATOM 0 HG LEU B 29 156.218 9.606 7.093 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.373 10.307 4.888 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.091 8.680 4.834 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.322 8.872 4.839 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.283 11.125 6.946 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.186 9.724 6.982 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.205 10.094 8.394 1.00 0.59 H new ATOM 1230 N GLU B 30 156.425 5.376 9.272 1.00 0.43 N ATOM 1231 CA GLU B 30 156.562 4.922 10.648 1.00 0.45 C ATOM 1232 C GLU B 30 158.035 4.976 11.049 1.00 0.44 C ATOM 1233 O GLU B 30 158.393 5.637 12.023 1.00 0.58 O ATOM 1234 CB GLU B 30 155.994 3.511 10.821 1.00 0.51 C ATOM 1235 CG GLU B 30 154.694 3.474 11.613 1.00 0.58 C ATOM 1236 CD GLU B 30 154.913 3.647 13.105 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.060 4.803 13.555 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.939 2.624 13.824 1.00 1.26 O ATOM 0 H GLU B 30 156.235 4.634 8.598 1.00 0.43 H new ATOM 0 HA GLU B 30 155.990 5.581 11.301 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.824 3.073 9.837 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.734 2.889 11.323 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.031 4.261 11.253 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.189 2.525 11.431 1.00 0.58 H new ATOM 1245 N ASP B 31 158.887 4.289 10.273 1.00 0.41 N ATOM 1246 CA ASP B 31 160.332 4.278 10.528 1.00 0.55 C ATOM 1247 C ASP B 31 160.887 5.704 10.620 1.00 0.57 C ATOM 1248 O ASP B 31 161.836 5.959 11.363 1.00 0.76 O ATOM 1249 CB ASP B 31 161.073 3.510 9.426 1.00 0.69 C ATOM 1250 CG ASP B 31 161.812 2.299 9.963 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.912 2.476 10.530 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.288 1.174 9.824 1.00 1.74 O ATOM 0 H ASP B 31 158.599 3.736 9.466 1.00 0.41 H new ATOM 0 HA ASP B 31 160.492 3.777 11.482 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.359 3.190 8.667 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.782 4.177 8.936 1.00 0.69 H new ATOM 1257 N TYR B 32 160.279 6.631 9.870 1.00 0.49 N ATOM 1258 CA TYR B 32 160.705 8.030 9.885 1.00 0.56 C ATOM 1259 C TYR B 32 160.457 8.643 11.263 1.00 0.56 C ATOM 1260 O TYR B 32 161.327 9.314 11.820 1.00 0.67 O ATOM 1261 CB TYR B 32 159.972 8.839 8.810 1.00 0.60 C ATOM 1262 CG TYR B 32 160.661 8.822 7.465 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.919 9.389 7.300 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.054 8.241 6.359 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.553 9.375 6.073 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.681 8.222 5.128 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.930 8.791 4.990 1.00 1.21 C ATOM 1268 OH TYR B 32 162.560 8.772 3.766 1.00 1.53 O ATOM 0 H TYR B 32 159.494 6.436 9.249 1.00 0.49 H new ATOM 0 HA TYR B 32 161.773 8.061 9.668 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.962 8.445 8.696 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.876 9.871 9.147 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.409 9.848 8.146 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.075 7.797 6.463 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.531 9.819 5.962 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.196 7.764 4.279 1.00 1.17 H new ATOM 0 HH TYR B 32 161.987 8.323 3.110 1.00 1.53 H new ATOM 1278 N ILE B 33 159.267 8.388 11.812 1.00 0.54 N ATOM 1279 CA ILE B 33 158.896 8.891 13.134 1.00 0.64 C ATOM 1280 C ILE B 33 159.581 8.084 14.248 1.00 0.58 C ATOM 1281 O ILE B 33 159.571 8.491 15.411 1.00 0.78 O ATOM 1282 CB ILE B 33 157.363 8.840 13.340 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.643 9.588 12.215 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.979 9.427 14.693 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.210 9.143 12.016 1.00 0.87 C ATOM 0 H ILE B 33 158.542 7.833 11.358 1.00 0.54 H new ATOM 0 HA ILE B 33 159.230 9.927 13.187 1.00 0.64 H new ATOM 0 HB ILE B 33 157.054 7.795 13.317 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.657 10.656 12.432 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.192 9.445 11.284 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.897 9.381 14.816 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.459 8.855 15.487 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.306 10.466 14.745 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.761 9.715 11.204 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.190 8.082 11.768 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.646 9.312 12.933 1.00 0.87 H new ATOM 1297 N ASP B 34 160.191 6.950 13.881 1.00 0.46 N ATOM 1298 CA ASP B 34 160.892 6.103 14.844 1.00 0.50 C ATOM 1299 C ASP B 34 162.127 6.811 15.402 1.00 0.40 C ATOM 1300 O ASP B 34 162.463 6.635 16.566 1.00 0.45 O ATOM 1301 CB ASP B 34 161.297 4.772 14.199 1.00 0.69 C ATOM 1302 CG ASP B 34 160.592 3.588 14.833 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.856 3.306 16.026 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.778 2.941 14.136 1.00 1.46 O ATOM 0 H ASP B 34 160.211 6.601 12.923 1.00 0.46 H new ATOM 0 HA ASP B 34 160.208 5.901 15.669 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.067 4.802 13.134 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.375 4.641 14.288 1.00 0.69 H new ATOM 1309 N ASN B 35 162.790 7.615 14.565 1.00 0.52 N ATOM 1310 CA ASN B 35 163.984 8.362 14.974 1.00 0.58 C ATOM 1311 C ASN B 35 163.793 9.000 16.351 1.00 0.49 C ATOM 1312 O ASN B 35 164.711 9.004 17.173 1.00 0.61 O ATOM 1313 CB ASN B 35 164.321 9.441 13.940 1.00 0.78 C ATOM 1314 CG ASN B 35 165.035 8.874 12.726 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.259 8.752 12.715 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.271 8.523 11.696 1.00 1.31 N ATOM 0 H ASN B 35 162.518 7.766 13.594 1.00 0.52 H new ATOM 0 HA ASN B 35 164.813 7.657 15.036 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.403 9.934 13.621 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.948 10.203 14.404 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.697 8.135 10.854 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.259 8.641 11.748 1.00 1.31 H new ATOM 1323 N LEU B 36 162.590 9.522 16.601 1.00 0.44 N ATOM 1324 CA LEU B 36 162.270 10.143 17.885 1.00 0.51 C ATOM 1325 C LEU B 36 162.281 9.098 19.003 1.00 0.47 C ATOM 1326 O LEU B 36 162.852 9.326 20.070 1.00 0.59 O ATOM 1327 CB LEU B 36 160.899 10.826 17.827 1.00 0.71 C ATOM 1328 CG LEU B 36 160.669 11.743 16.622 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.208 12.157 16.543 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.572 12.968 16.698 1.00 1.64 C ATOM 0 H LEU B 36 161.822 9.526 15.930 1.00 0.44 H new ATOM 0 HA LEU B 36 163.030 10.896 18.096 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.128 10.055 17.827 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.765 11.411 18.737 1.00 0.71 H new ATOM 0 HG LEU B 36 160.921 11.192 15.716 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.060 12.808 15.682 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.584 11.270 16.438 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.931 12.690 17.453 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.393 13.606 15.833 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.355 13.524 17.610 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.615 12.651 16.706 1.00 1.64 H new ATOM 1342 N LEU B 37 161.651 7.949 18.741 1.00 0.41 N ATOM 1343 CA LEU B 37 161.588 6.859 19.712 1.00 0.48 C ATOM 1344 C LEU B 37 162.231 5.585 19.152 1.00 0.41 C ATOM 1345 O LEU B 37 161.577 4.547 19.031 1.00 0.54 O ATOM 1346 CB LEU B 37 160.131 6.588 20.115 1.00 0.65 C ATOM 1347 CG LEU B 37 159.162 6.347 18.950 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.337 5.090 19.187 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.256 7.554 18.751 1.00 0.69 C ATOM 0 H LEU B 37 161.176 7.752 17.860 1.00 0.41 H new ATOM 0 HA LEU B 37 162.149 7.161 20.597 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.109 5.717 20.770 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.769 7.435 20.698 1.00 0.65 H new ATOM 0 HG LEU B 37 159.747 6.203 18.042 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.657 4.938 18.349 1.00 0.80 H new ATOM 0 HD12 LEU B 37 159.001 4.230 19.276 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.762 5.200 20.106 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.576 7.365 17.921 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.680 7.730 19.659 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.863 8.432 18.530 1.00 0.69 H new ATOM 1361 N VAL B 38 163.519 5.673 18.808 1.00 0.36 N ATOM 1362 CA VAL B 38 164.252 4.531 18.255 1.00 0.49 C ATOM 1363 C VAL B 38 164.033 3.281 19.108 1.00 0.67 C ATOM 1364 O VAL B 38 163.801 3.381 20.312 1.00 1.35 O ATOM 1365 CB VAL B 38 165.767 4.833 18.160 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.552 3.597 17.738 1.00 1.31 C ATOM 1367 CG2 VAL B 38 166.021 5.983 17.194 1.00 0.89 C ATOM 0 H VAL B 38 164.075 6.523 18.903 1.00 0.36 H new ATOM 0 HA VAL B 38 163.867 4.351 17.251 1.00 0.49 H new ATOM 0 HB VAL B 38 166.113 5.126 19.151 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.613 3.842 17.680 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.402 2.803 18.470 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.204 3.261 16.761 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.091 6.182 17.139 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.650 5.716 16.204 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.503 6.875 17.546 1.00 0.89 H new ATOM 1377 N ARG B 39 164.086 2.112 18.458 1.00 0.54 N ATOM 1378 CA ARG B 39 163.871 0.823 19.125 1.00 0.62 C ATOM 1379 C ARG B 39 164.718 0.673 20.391 1.00 0.51 C ATOM 1380 O ARG B 39 165.802 0.088 20.364 1.00 0.63 O ATOM 1381 CB ARG B 39 164.163 -0.328 18.159 1.00 0.93 C ATOM 1382 CG ARG B 39 163.006 -0.632 17.222 1.00 1.15 C ATOM 1383 CD ARG B 39 163.379 -1.683 16.189 1.00 1.41 C ATOM 1384 NE ARG B 39 162.473 -2.832 16.218 1.00 1.58 N ATOM 1385 CZ ARG B 39 162.309 -3.680 15.197 1.00 1.77 C ATOM 1386 NH1 ARG B 39 162.985 -3.508 14.064 1.00 2.06 N ATOM 1387 NH2 ARG B 39 161.466 -4.701 15.308 1.00 2.18 N ATOM 0 H ARG B 39 164.278 2.033 17.459 1.00 0.54 H new ATOM 0 HA ARG B 39 162.825 0.789 19.429 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.046 -0.083 17.568 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.402 -1.223 18.733 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.150 -0.979 17.801 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.698 0.283 16.715 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.363 -1.235 15.195 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.399 -2.022 16.370 1.00 1.41 H new ATOM 0 HE ARG B 39 161.934 -2.996 17.068 1.00 1.58 H new ATOM 0 HH11 ARG B 39 163.633 -2.726 13.970 1.00 2.06 H new ATOM 0 HH12 ARG B 39 162.855 -4.158 13.289 1.00 2.06 H new ATOM 0 HH21 ARG B 39 160.943 -4.839 16.173 1.00 2.18 H new ATOM 0 HH22 ARG B 39 161.342 -5.347 14.528 1.00 2.18 H new ATOM 1401 N VAL B 40 164.200 1.203 21.499 1.00 0.43 N ATOM 1402 CA VAL B 40 164.881 1.135 22.790 1.00 0.56 C ATOM 1403 C VAL B 40 163.855 1.068 23.930 1.00 0.71 C ATOM 1404 O VAL B 40 163.816 1.941 24.801 1.00 1.15 O ATOM 1405 CB VAL B 40 165.815 2.353 23.011 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.651 2.170 24.272 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.717 2.590 21.804 1.00 0.65 C ATOM 0 H VAL B 40 163.303 1.688 21.527 1.00 0.43 H new ATOM 0 HA VAL B 40 165.491 0.232 22.788 1.00 0.56 H new ATOM 0 HB VAL B 40 165.184 3.233 23.136 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.299 3.036 24.408 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.992 2.071 25.134 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.261 1.272 24.177 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.358 3.451 21.993 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.334 1.708 21.632 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.104 2.781 20.923 1.00 0.65 H new ATOM 1417 N MET B 41 163.016 0.027 23.909 1.00 0.60 N ATOM 1418 CA MET B 41 161.979 -0.158 24.928 1.00 0.74 C ATOM 1419 C MET B 41 162.406 -1.196 25.968 1.00 0.91 C ATOM 1420 O MET B 41 162.752 -2.330 25.572 1.00 0.91 O ATOM 1421 CB MET B 41 160.659 -0.584 24.270 1.00 0.73 C ATOM 1422 CG MET B 41 160.157 0.383 23.207 1.00 0.74 C ATOM 1423 SD MET B 41 159.291 -0.457 21.863 1.00 0.86 S ATOM 1424 CE MET B 41 159.831 0.492 20.441 1.00 0.70 C ATOM 1425 OXT MET B 41 162.391 -0.865 27.173 1.00 1.13 O ATOM 0 H MET B 41 163.036 -0.702 23.195 1.00 0.60 H new ATOM 0 HA MET B 41 161.833 0.794 25.438 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.791 -1.567 23.819 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.897 -0.687 25.042 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.488 1.110 23.668 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.001 0.940 22.799 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.024 0.543 19.710 1.00 0.70 H new ATOM 0 HE2 MET B 41 160.099 1.500 20.757 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.699 0.010 19.991 1.00 0.70 H new