USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 THR OG1 : rot -170:sc= 0.00624 USER MOD Single : A 1 ASN : amide:sc= -0.0792 K(o=-0.079,f=-4.1!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 83:sc= 0.367 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000395 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 0.171 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.31) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 61 SER OG : rot -75:sc= 1.09 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= 0.187 (180deg=-0.285) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.459 39.951 35.093 1.00 20.00 N ATOM 2 CA ASN A 1 12.178 39.987 33.808 1.00 20.00 C ATOM 3 C ASN A 1 12.823 38.626 33.545 1.00 20.00 C ATOM 4 O ASN A 1 13.835 38.306 34.163 1.00 20.00 O ATOM 5 CB ASN A 1 13.210 41.128 33.809 1.00 20.00 C ATOM 6 CG ASN A 1 13.812 41.411 32.432 1.00 20.00 C ATOM 7 OD1 ASN A 1 14.076 40.504 31.648 1.00 20.00 O ATOM 8 ND2 ASN A 1 14.037 42.688 32.130 1.00 20.00 N ATOM 0 H1 ASN A 1 11.020 40.877 35.271 1.00 20.00 H new ATOM 0 H2 ASN A 1 10.721 39.219 35.057 1.00 20.00 H new ATOM 0 H3 ASN A 1 12.127 39.731 35.859 1.00 20.00 H new ATOM 0 HA ASN A 1 11.478 40.187 32.997 1.00 20.00 H new ATOM 0 HB2 ASN A 1 12.735 42.036 34.182 1.00 20.00 H new ATOM 0 HB3 ASN A 1 14.013 40.880 34.503 1.00 20.00 H new ATOM 0 HD21 ASN A 1 14.439 42.935 31.226 1.00 20.00 H new ATOM 0 HD22 ASN A 1 13.807 43.419 32.803 1.00 20.00 H new ATOM 17 N GLU A 2 12.232 37.827 32.644 1.00 20.00 N ATOM 18 CA GLU A 2 12.688 36.463 32.356 1.00 20.00 C ATOM 19 C GLU A 2 14.110 36.439 31.785 1.00 20.00 C ATOM 20 O GLU A 2 14.901 35.569 32.140 1.00 20.00 O ATOM 21 CB GLU A 2 11.713 35.774 31.387 1.00 20.00 C ATOM 22 CG GLU A 2 11.930 34.250 31.362 1.00 20.00 C ATOM 23 CD GLU A 2 10.734 33.479 30.795 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.559 32.311 31.211 1.00 20.00 O ATOM 25 OE2 GLU A 2 9.990 34.052 29.968 1.00 20.00 O ATOM 0 H GLU A 2 11.422 38.112 32.094 1.00 20.00 H new ATOM 0 HA GLU A 2 12.708 35.918 33.300 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.687 35.992 31.684 1.00 20.00 H new ATOM 0 HB3 GLU A 2 11.847 36.179 30.384 1.00 20.00 H new ATOM 0 HG2 GLU A 2 12.814 34.025 30.766 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.131 33.902 32.375 1.00 20.00 H new ATOM 32 N CYS A 3 14.429 37.414 30.927 1.00 20.00 N ATOM 33 CA CYS A 3 15.716 37.564 30.263 1.00 20.00 C ATOM 34 C CYS A 3 16.860 37.764 31.270 1.00 20.00 C ATOM 35 O CYS A 3 17.892 37.100 31.169 1.00 20.00 O ATOM 36 CB CYS A 3 15.595 38.755 29.307 1.00 20.00 C ATOM 37 SG CYS A 3 16.648 38.696 27.844 1.00 20.00 S ATOM 0 H CYS A 3 13.767 38.146 30.670 1.00 20.00 H new ATOM 0 HA CYS A 3 15.963 36.656 29.713 1.00 20.00 H new ATOM 0 HB2 CYS A 3 14.557 38.832 28.982 1.00 20.00 H new ATOM 0 HB3 CYS A 3 15.824 39.666 29.860 1.00 20.00 H new ATOM 42 N VAL A 4 16.661 38.662 32.248 1.00 20.00 N ATOM 43 CA VAL A 4 17.637 39.026 33.280 1.00 20.00 C ATOM 44 C VAL A 4 17.715 37.956 34.381 1.00 20.00 C ATOM 45 O VAL A 4 18.792 37.738 34.937 1.00 20.00 O ATOM 46 CB VAL A 4 17.274 40.417 33.848 1.00 20.00 C ATOM 47 CG1 VAL A 4 18.207 40.872 34.979 1.00 20.00 C ATOM 48 CG2 VAL A 4 17.338 41.480 32.744 1.00 20.00 C ATOM 0 H VAL A 4 15.783 39.172 32.343 1.00 20.00 H new ATOM 0 HA VAL A 4 18.631 39.078 32.836 1.00 20.00 H new ATOM 0 HB VAL A 4 16.265 40.315 34.248 1.00 20.00 H new ATOM 0 HG11 VAL A 4 17.897 41.855 35.333 1.00 20.00 H new ATOM 0 HG12 VAL A 4 18.157 40.158 35.801 1.00 20.00 H new ATOM 0 HG13 VAL A 4 19.230 40.926 34.607 1.00 20.00 H new ATOM 0 HG21 VAL A 4 17.080 42.453 33.161 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.347 41.517 32.333 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.633 41.226 31.953 1.00 20.00 H new ATOM 58 N SER A 5 16.602 37.264 34.666 1.00 20.00 N ATOM 59 CA SER A 5 16.545 36.126 35.588 1.00 20.00 C ATOM 60 C SER A 5 17.389 34.947 35.088 1.00 20.00 C ATOM 61 O SER A 5 18.104 34.335 35.883 1.00 20.00 O ATOM 62 CB SER A 5 15.095 35.674 35.801 1.00 20.00 C ATOM 63 OG SER A 5 14.383 36.626 36.564 1.00 20.00 O ATOM 0 H SER A 5 15.697 37.487 34.251 1.00 20.00 H new ATOM 0 HA SER A 5 16.960 36.460 36.539 1.00 20.00 H new ATOM 0 HB2 SER A 5 14.607 35.535 34.836 1.00 20.00 H new ATOM 0 HB3 SER A 5 15.080 34.709 36.308 1.00 20.00 H new ATOM 0 HG SER A 5 14.067 37.345 35.978 1.00 20.00 H new ATOM 69 N LYS A 6 17.334 34.650 33.780 1.00 20.00 N ATOM 70 CA LYS A 6 18.165 33.632 33.135 1.00 20.00 C ATOM 71 C LYS A 6 19.631 34.072 32.971 1.00 20.00 C ATOM 72 O LYS A 6 20.493 33.215 32.783 1.00 20.00 O ATOM 73 CB LYS A 6 17.562 33.258 31.771 1.00 20.00 C ATOM 74 CG LYS A 6 16.215 32.518 31.843 1.00 20.00 C ATOM 75 CD LYS A 6 16.345 31.096 32.404 1.00 20.00 C ATOM 76 CE LYS A 6 14.983 30.397 32.387 1.00 20.00 C ATOM 77 NZ LYS A 6 15.076 29.040 32.955 1.00 20.00 N ATOM 0 H LYS A 6 16.700 35.120 33.134 1.00 20.00 H new ATOM 0 HA LYS A 6 18.174 32.760 33.789 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.430 34.168 31.186 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.275 32.634 31.233 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.526 33.088 32.467 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.778 32.471 30.846 1.00 20.00 H new ATOM 0 HD2 LYS A 6 17.062 30.527 31.812 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.731 31.132 33.423 1.00 20.00 H new ATOM 0 HE2 LYS A 6 14.262 30.984 32.956 1.00 20.00 H new ATOM 0 HE3 LYS A 6 14.612 30.342 31.364 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 14.139 28.589 32.931 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 15.747 28.475 32.396 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 15.408 29.098 33.939 1.00 20.00 H new ATOM 91 N GLY A 7 19.924 35.376 33.091 1.00 20.00 N ATOM 92 CA GLY A 7 21.277 35.927 33.122 1.00 20.00 C ATOM 93 C GLY A 7 21.786 36.427 31.765 1.00 20.00 C ATOM 94 O GLY A 7 22.985 36.669 31.627 1.00 20.00 O ATOM 0 H GLY A 7 19.202 36.092 33.171 1.00 20.00 H new ATOM 0 HA2 GLY A 7 21.304 36.752 33.834 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.960 35.163 33.494 1.00 20.00 H new ATOM 98 N PHE A 8 20.902 36.561 30.767 1.00 20.00 N ATOM 99 CA PHE A 8 21.216 37.015 29.415 1.00 20.00 C ATOM 100 C PHE A 8 21.250 38.549 29.307 1.00 20.00 C ATOM 101 O PHE A 8 21.008 39.265 30.282 1.00 20.00 O ATOM 102 CB PHE A 8 20.186 36.410 28.450 1.00 20.00 C ATOM 103 CG PHE A 8 20.105 34.894 28.474 1.00 20.00 C ATOM 104 CD1 PHE A 8 18.863 34.253 28.645 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.268 34.118 28.298 1.00 20.00 C ATOM 106 CE1 PHE A 8 18.784 32.849 28.610 1.00 20.00 C ATOM 107 CE2 PHE A 8 21.188 32.716 28.276 1.00 20.00 C ATOM 108 CZ PHE A 8 19.945 32.079 28.428 1.00 20.00 C ATOM 0 H PHE A 8 19.912 36.347 30.889 1.00 20.00 H new ATOM 0 HA PHE A 8 22.218 36.676 29.151 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.203 36.816 28.689 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.426 36.731 27.436 1.00 20.00 H new ATOM 0 HD1 PHE A 8 17.970 34.840 28.803 1.00 20.00 H new ATOM 0 HD2 PHE A 8 22.225 34.604 28.179 1.00 20.00 H new ATOM 0 HE1 PHE A 8 17.827 32.361 28.723 1.00 20.00 H new ATOM 0 HE2 PHE A 8 22.083 32.127 28.142 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.882 31.001 28.405 1.00 20.00 H new ATOM 118 N GLY A 9 21.563 39.040 28.099 1.00 20.00 N ATOM 119 CA GLY A 9 21.675 40.455 27.763 1.00 20.00 C ATOM 120 C GLY A 9 20.639 40.893 26.725 1.00 20.00 C ATOM 121 O GLY A 9 19.894 40.075 26.181 1.00 20.00 O ATOM 0 H GLY A 9 21.751 38.432 27.302 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.553 41.051 28.667 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.676 40.657 27.381 1.00 20.00 H new ATOM 125 N CYS A 10 20.627 42.204 26.449 1.00 20.00 N ATOM 126 CA CYS A 10 19.678 42.871 25.561 1.00 20.00 C ATOM 127 C CYS A 10 20.404 43.622 24.440 1.00 20.00 C ATOM 128 O CYS A 10 20.159 44.808 24.208 1.00 20.00 O ATOM 129 CB CYS A 10 18.742 43.776 26.373 1.00 20.00 C ATOM 130 SG CYS A 10 17.719 42.906 27.582 1.00 20.00 S ATOM 0 H CYS A 10 21.305 42.849 26.855 1.00 20.00 H new ATOM 0 HA CYS A 10 19.059 42.119 25.072 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.341 44.523 26.894 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.090 44.314 25.685 1.00 20.00 H new ATOM 135 N LEU A 11 21.290 42.909 23.731 1.00 20.00 N ATOM 136 CA LEU A 11 21.924 43.382 22.506 1.00 20.00 C ATOM 137 C LEU A 11 20.857 43.569 21.413 1.00 20.00 C ATOM 138 O LEU A 11 19.850 42.863 21.424 1.00 20.00 O ATOM 139 CB LEU A 11 22.968 42.357 22.020 1.00 20.00 C ATOM 140 CG LEU A 11 24.344 42.384 22.717 1.00 20.00 C ATOM 141 CD1 LEU A 11 25.103 43.696 22.467 1.00 20.00 C ATOM 142 CD2 LEU A 11 24.268 42.111 24.223 1.00 20.00 C ATOM 0 H LEU A 11 21.587 41.972 24.003 1.00 20.00 H new ATOM 0 HA LEU A 11 22.418 44.332 22.709 1.00 20.00 H new ATOM 0 HB2 LEU A 11 22.546 41.359 22.139 1.00 20.00 H new ATOM 0 HB3 LEU A 11 23.125 42.511 20.952 1.00 20.00 H new ATOM 0 HG LEU A 11 24.900 41.566 22.259 1.00 20.00 H new ATOM 0 HD11 LEU A 11 26.065 43.663 22.979 1.00 20.00 H new ATOM 0 HD12 LEU A 11 25.266 43.824 21.397 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.518 44.533 22.847 1.00 20.00 H new ATOM 0 HD21 LEU A 11 25.270 42.145 24.650 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.645 42.868 24.699 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.834 41.125 24.393 1.00 20.00 H new ATOM 154 N PRO A 12 21.077 44.469 20.438 1.00 20.00 N ATOM 155 CA PRO A 12 20.177 44.650 19.308 1.00 20.00 C ATOM 156 C PRO A 12 20.274 43.485 18.316 1.00 20.00 C ATOM 157 O PRO A 12 21.241 42.721 18.311 1.00 20.00 O ATOM 158 CB PRO A 12 20.592 45.983 18.678 1.00 20.00 C ATOM 159 CG PRO A 12 22.083 46.065 18.986 1.00 20.00 C ATOM 160 CD PRO A 12 22.200 45.387 20.352 1.00 20.00 C ATOM 0 HA PRO A 12 19.132 44.665 19.618 1.00 20.00 H new ATOM 0 HB2 PRO A 12 20.401 45.998 17.605 1.00 20.00 H new ATOM 0 HB3 PRO A 12 20.045 46.821 19.111 1.00 20.00 H new ATOM 0 HG2 PRO A 12 22.678 45.552 18.230 1.00 20.00 H new ATOM 0 HG3 PRO A 12 22.430 47.098 19.019 1.00 20.00 H new ATOM 0 HD2 PRO A 12 23.147 44.855 20.444 1.00 20.00 H new ATOM 0 HD3 PRO A 12 22.167 46.121 21.157 1.00 20.00 H new ATOM 168 N GLN A 13 19.270 43.394 17.437 1.00 20.00 N ATOM 169 CA GLN A 13 19.220 42.477 16.301 1.00 20.00 C ATOM 170 C GLN A 13 20.358 42.762 15.304 1.00 20.00 C ATOM 171 O GLN A 13 20.820 41.843 14.632 1.00 20.00 O ATOM 172 CB GLN A 13 17.856 42.617 15.601 1.00 20.00 C ATOM 173 CG GLN A 13 16.686 42.135 16.469 1.00 20.00 C ATOM 174 CD GLN A 13 15.347 42.365 15.773 1.00 20.00 C ATOM 175 OE1 GLN A 13 14.949 41.591 14.906 1.00 20.00 O ATOM 176 NE2 GLN A 13 14.640 43.431 16.147 1.00 20.00 N ATOM 0 H GLN A 13 18.439 43.982 17.503 1.00 20.00 H new ATOM 0 HA GLN A 13 19.347 41.458 16.667 1.00 20.00 H new ATOM 0 HB2 GLN A 13 17.697 43.661 15.333 1.00 20.00 H new ATOM 0 HB3 GLN A 13 17.870 42.048 14.671 1.00 20.00 H new ATOM 0 HG2 GLN A 13 16.806 41.074 16.689 1.00 20.00 H new ATOM 0 HG3 GLN A 13 16.697 42.662 17.423 1.00 20.00 H new ATOM 0 HE21 GLN A 13 15.000 44.054 16.870 1.00 20.00 H new ATOM 0 HE22 GLN A 13 13.739 43.624 15.710 1.00 20.00 H new ATOM 185 N SER A 14 20.837 44.016 15.236 1.00 20.00 N ATOM 186 CA SER A 14 21.987 44.435 14.441 1.00 20.00 C ATOM 187 C SER A 14 23.295 43.792 14.918 1.00 20.00 C ATOM 188 O SER A 14 24.161 43.509 14.090 1.00 20.00 O ATOM 189 CB SER A 14 22.123 45.957 14.529 1.00 20.00 C ATOM 190 OG SER A 14 21.037 46.605 13.903 1.00 20.00 O ATOM 0 H SER A 14 20.414 44.787 15.754 1.00 20.00 H new ATOM 0 HA SER A 14 21.814 44.111 13.415 1.00 20.00 H new ATOM 0 HB2 SER A 14 22.176 46.260 15.575 1.00 20.00 H new ATOM 0 HB3 SER A 14 23.056 46.269 14.059 1.00 20.00 H new ATOM 0 HG SER A 14 21.149 47.576 13.976 1.00 20.00 H new ATOM 196 N ASP A 15 23.440 43.563 16.232 1.00 20.00 N ATOM 197 CA ASP A 15 24.634 42.989 16.837 1.00 20.00 C ATOM 198 C ASP A 15 24.556 41.459 16.832 1.00 20.00 C ATOM 199 O ASP A 15 25.309 40.822 16.098 1.00 20.00 O ATOM 200 CB ASP A 15 24.827 43.560 18.249 1.00 20.00 C ATOM 201 CG ASP A 15 26.145 43.090 18.858 1.00 20.00 C ATOM 202 OD1 ASP A 15 26.129 42.047 19.549 1.00 20.00 O ATOM 203 OD2 ASP A 15 27.162 43.774 18.606 1.00 20.00 O ATOM 0 H ASP A 15 22.710 43.779 16.911 1.00 20.00 H new ATOM 0 HA ASP A 15 25.510 43.262 16.248 1.00 20.00 H new ATOM 0 HB2 ASP A 15 24.809 44.649 18.209 1.00 20.00 H new ATOM 0 HB3 ASP A 15 23.998 43.251 18.886 1.00 20.00 H new ATOM 208 N CYS A 16 23.668 40.870 17.648 1.00 20.00 N ATOM 209 CA CYS A 16 23.522 39.432 17.793 1.00 20.00 C ATOM 210 C CYS A 16 22.916 38.795 16.526 1.00 20.00 C ATOM 211 O CYS A 16 22.045 39.402 15.897 1.00 20.00 O ATOM 212 CB CYS A 16 22.662 39.151 19.032 1.00 20.00 C ATOM 213 SG CYS A 16 23.623 39.073 20.570 1.00 20.00 S ATOM 0 H CYS A 16 23.023 41.400 18.233 1.00 20.00 H new ATOM 0 HA CYS A 16 24.504 38.979 17.924 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.904 39.929 19.124 1.00 20.00 H new ATOM 0 HB3 CYS A 16 22.134 38.207 18.893 1.00 20.00 H new ATOM 218 N PRO A 17 23.345 37.570 16.152 1.00 20.00 N ATOM 219 CA PRO A 17 22.865 36.861 14.966 1.00 20.00 C ATOM 220 C PRO A 17 21.419 36.373 15.140 1.00 20.00 C ATOM 221 O PRO A 17 20.864 36.440 16.236 1.00 20.00 O ATOM 222 CB PRO A 17 23.847 35.703 14.771 1.00 20.00 C ATOM 223 CG PRO A 17 24.294 35.383 16.194 1.00 20.00 C ATOM 224 CD PRO A 17 24.335 36.761 16.851 1.00 20.00 C ATOM 0 HA PRO A 17 22.834 37.509 14.090 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.370 34.846 14.296 1.00 20.00 H new ATOM 0 HB3 PRO A 17 24.688 35.990 14.140 1.00 20.00 H new ATOM 0 HG2 PRO A 17 23.595 34.715 16.697 1.00 20.00 H new ATOM 0 HG3 PRO A 17 25.269 34.896 16.212 1.00 20.00 H new ATOM 0 HD2 PRO A 17 24.103 36.693 17.914 1.00 20.00 H new ATOM 0 HD3 PRO A 17 25.328 37.203 16.769 1.00 20.00 H new ATOM 232 N GLN A 18 20.811 35.882 14.050 1.00 20.00 N ATOM 233 CA GLN A 18 19.381 35.561 13.967 1.00 20.00 C ATOM 234 C GLN A 18 18.988 34.331 14.796 1.00 20.00 C ATOM 235 O GLN A 18 17.831 34.198 15.192 1.00 20.00 O ATOM 236 CB GLN A 18 18.996 35.346 12.493 1.00 20.00 C ATOM 237 CG GLN A 18 18.958 36.670 11.711 1.00 20.00 C ATOM 238 CD GLN A 18 18.686 36.483 10.215 1.00 20.00 C ATOM 239 OE1 GLN A 18 17.991 35.558 9.803 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.238 37.366 9.384 1.00 20.00 N ATOM 0 H GLN A 18 21.313 35.693 13.182 1.00 20.00 H new ATOM 0 HA GLN A 18 18.835 36.405 14.389 1.00 20.00 H new ATOM 0 HB2 GLN A 18 19.711 34.669 12.026 1.00 20.00 H new ATOM 0 HB3 GLN A 18 18.020 34.865 12.439 1.00 20.00 H new ATOM 0 HG2 GLN A 18 18.187 37.313 12.136 1.00 20.00 H new ATOM 0 HG3 GLN A 18 19.909 37.187 11.838 1.00 20.00 H new ATOM 0 HE21 GLN A 18 19.811 38.125 9.753 1.00 20.00 H new ATOM 0 HE22 GLN A 18 19.088 37.283 8.379 1.00 20.00 H new ATOM 249 N GLU A 19 19.959 33.456 15.065 1.00 20.00 N ATOM 250 CA GLU A 19 19.840 32.206 15.802 1.00 20.00 C ATOM 251 C GLU A 19 19.874 32.416 17.322 1.00 20.00 C ATOM 252 O GLU A 19 19.144 31.738 18.043 1.00 20.00 O ATOM 253 CB GLU A 19 20.957 31.250 15.352 1.00 20.00 C ATOM 254 CG GLU A 19 22.350 31.890 15.200 1.00 20.00 C ATOM 255 CD GLU A 19 23.415 30.859 14.813 1.00 20.00 C ATOM 256 OE1 GLU A 19 23.160 30.069 13.876 1.00 20.00 O ATOM 257 OE2 GLU A 19 24.480 30.863 15.466 1.00 20.00 O ATOM 0 H GLU A 19 20.915 33.618 14.749 1.00 20.00 H new ATOM 0 HA GLU A 19 18.867 31.768 15.578 1.00 20.00 H new ATOM 0 HB2 GLU A 19 21.027 30.435 16.072 1.00 20.00 H new ATOM 0 HB3 GLU A 19 20.672 30.809 14.397 1.00 20.00 H new ATOM 0 HG2 GLU A 19 22.309 32.672 14.441 1.00 20.00 H new ATOM 0 HG3 GLU A 19 22.633 32.370 16.137 1.00 20.00 H new ATOM 264 N ALA A 20 20.687 33.364 17.805 1.00 20.00 N ATOM 265 CA ALA A 20 20.818 33.714 19.219 1.00 20.00 C ATOM 266 C ALA A 20 19.595 34.463 19.782 1.00 20.00 C ATOM 267 O ALA A 20 19.529 34.676 20.992 1.00 20.00 O ATOM 268 CB ALA A 20 22.084 34.557 19.394 1.00 20.00 C ATOM 0 H ALA A 20 21.289 33.924 17.201 1.00 20.00 H new ATOM 0 HA ALA A 20 20.884 32.785 19.786 1.00 20.00 H new ATOM 0 HB1 ALA A 20 22.199 34.828 20.444 1.00 20.00 H new ATOM 0 HB2 ALA A 20 22.952 33.982 19.071 1.00 20.00 H new ATOM 0 HB3 ALA A 20 22.004 35.462 18.792 1.00 20.00 H new ATOM 274 N ARG A 21 18.638 34.861 18.927 1.00 20.00 N ATOM 275 CA ARG A 21 17.435 35.605 19.298 1.00 20.00 C ATOM 276 C ARG A 21 16.449 34.705 20.055 1.00 20.00 C ATOM 277 O ARG A 21 15.737 33.903 19.450 1.00 20.00 O ATOM 278 CB ARG A 21 16.780 36.238 18.057 1.00 20.00 C ATOM 279 CG ARG A 21 17.724 37.235 17.376 1.00 20.00 C ATOM 280 CD ARG A 21 17.106 37.893 16.139 1.00 20.00 C ATOM 281 NE ARG A 21 18.117 38.668 15.410 1.00 20.00 N ATOM 282 CZ ARG A 21 17.962 39.216 14.196 1.00 20.00 C ATOM 283 NH1 ARG A 21 16.780 39.231 13.575 1.00 20.00 N ATOM 284 NH2 ARG A 21 19.009 39.763 13.583 1.00 20.00 N ATOM 0 H ARG A 21 18.687 34.664 17.927 1.00 20.00 H new ATOM 0 HA ARG A 21 17.725 36.414 19.968 1.00 20.00 H new ATOM 0 HB2 ARG A 21 16.503 35.456 17.350 1.00 20.00 H new ATOM 0 HB3 ARG A 21 15.860 36.745 18.348 1.00 20.00 H new ATOM 0 HG2 ARG A 21 18.004 38.009 18.091 1.00 20.00 H new ATOM 0 HG3 ARG A 21 18.641 36.721 17.088 1.00 20.00 H new ATOM 0 HD2 ARG A 21 16.684 37.129 15.486 1.00 20.00 H new ATOM 0 HD3 ARG A 21 16.285 38.545 16.438 1.00 20.00 H new ATOM 0 HE ARG A 21 19.019 38.802 15.868 1.00 20.00 H new ATOM 0 HH11 ARG A 21 15.963 38.818 14.024 1.00 20.00 H new ATOM 0 HH12 ARG A 21 16.694 39.656 12.652 1.00 20.00 H new ATOM 0 HH21 ARG A 21 19.923 39.764 14.037 1.00 20.00 H new ATOM 0 HH22 ARG A 21 18.898 40.181 12.659 1.00 20.00 H new ATOM 298 N LEU A 22 16.421 34.854 21.385 1.00 20.00 N ATOM 299 CA LEU A 22 15.506 34.185 22.308 1.00 20.00 C ATOM 300 C LEU A 22 14.063 34.686 22.142 1.00 20.00 C ATOM 301 O LEU A 22 13.806 35.694 21.480 1.00 20.00 O ATOM 302 CB LEU A 22 15.984 34.442 23.747 1.00 20.00 C ATOM 303 CG LEU A 22 17.283 33.716 24.135 1.00 20.00 C ATOM 304 CD1 LEU A 22 17.830 34.348 25.419 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.024 32.224 24.367 1.00 20.00 C ATOM 0 H LEU A 22 17.070 35.476 21.867 1.00 20.00 H new ATOM 0 HA LEU A 22 15.509 33.117 22.088 1.00 20.00 H new ATOM 0 HB2 LEU A 22 16.130 35.514 23.880 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.196 34.139 24.436 1.00 20.00 H new ATOM 0 HG LEU A 22 18.005 33.814 23.324 1.00 20.00 H new ATOM 0 HD11 LEU A 22 18.752 33.844 25.708 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.033 35.405 25.247 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.095 34.245 26.217 1.00 20.00 H new ATOM 0 HD21 LEU A 22 17.957 31.731 24.640 1.00 20.00 H new ATOM 0 HD22 LEU A 22 16.299 32.101 25.172 1.00 20.00 H new ATOM 0 HD23 LEU A 22 16.631 31.777 23.454 1.00 20.00 H new ATOM 317 N SER A 23 13.127 33.985 22.795 1.00 20.00 N ATOM 318 CA SER A 23 11.689 34.259 22.765 1.00 20.00 C ATOM 319 C SER A 23 11.186 35.063 23.977 1.00 20.00 C ATOM 320 O SER A 23 10.051 35.539 23.945 1.00 20.00 O ATOM 321 CB SER A 23 10.927 32.933 22.642 1.00 20.00 C ATOM 322 OG SER A 23 11.151 32.102 23.765 1.00 20.00 O ATOM 0 H SER A 23 13.362 33.183 23.379 1.00 20.00 H new ATOM 0 HA SER A 23 11.500 34.890 21.897 1.00 20.00 H new ATOM 0 HB2 SER A 23 9.860 33.133 22.543 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.240 32.415 21.736 1.00 20.00 H new ATOM 0 HG SER A 23 10.651 31.266 23.658 1.00 20.00 H new ATOM 328 N TYR A 24 12.004 35.228 25.030 1.00 20.00 N ATOM 329 CA TYR A 24 11.654 35.964 26.238 1.00 20.00 C ATOM 330 C TYR A 24 11.539 37.473 25.980 1.00 20.00 C ATOM 331 O TYR A 24 12.047 37.988 24.982 1.00 20.00 O ATOM 332 CB TYR A 24 12.715 35.686 27.315 1.00 20.00 C ATOM 333 CG TYR A 24 13.058 34.221 27.537 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.406 33.821 27.618 1.00 20.00 C ATOM 335 CD2 TYR A 24 12.037 33.256 27.651 1.00 20.00 C ATOM 336 CE1 TYR A 24 14.733 32.469 27.821 1.00 20.00 C ATOM 337 CE2 TYR A 24 12.355 31.903 27.860 1.00 20.00 C ATOM 338 CZ TYR A 24 13.708 31.504 27.951 1.00 20.00 C ATOM 339 OH TYR A 24 14.025 30.195 28.156 1.00 20.00 O ATOM 0 H TYR A 24 12.947 34.841 25.057 1.00 20.00 H new ATOM 0 HA TYR A 24 10.675 35.624 26.577 1.00 20.00 H new ATOM 0 HB2 TYR A 24 13.628 36.218 27.046 1.00 20.00 H new ATOM 0 HB3 TYR A 24 12.368 36.106 28.259 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.192 34.556 27.524 1.00 20.00 H new ATOM 0 HD2 TYR A 24 11.003 33.558 27.577 1.00 20.00 H new ATOM 0 HE1 TYR A 24 15.768 32.167 27.878 1.00 20.00 H new ATOM 0 HE2 TYR A 24 11.567 31.170 27.951 1.00 20.00 H new ATOM 0 HH TYR A 24 13.203 29.666 28.224 1.00 20.00 H new ATOM 349 N GLY A 25 10.901 38.175 26.923 1.00 20.00 N ATOM 350 CA GLY A 25 10.759 39.625 26.939 1.00 20.00 C ATOM 351 C GLY A 25 11.499 40.256 28.118 1.00 20.00 C ATOM 352 O GLY A 25 12.024 39.558 28.989 1.00 20.00 O ATOM 0 H GLY A 25 10.455 37.727 27.723 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.143 40.038 26.006 1.00 20.00 H new ATOM 0 HA3 GLY A 25 9.702 39.886 26.992 1.00 20.00 H new ATOM 356 N GLY A 26 11.512 41.594 28.137 1.00 20.00 N ATOM 357 CA GLY A 26 12.149 42.411 29.164 1.00 20.00 C ATOM 358 C GLY A 26 13.305 43.271 28.641 1.00 20.00 C ATOM 359 O GLY A 26 13.853 44.064 29.406 1.00 20.00 O ATOM 0 H GLY A 26 11.063 42.152 27.411 1.00 20.00 H new ATOM 0 HA2 GLY A 26 11.399 43.062 29.614 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.522 41.759 29.954 1.00 20.00 H new ATOM 363 N CYS A 27 13.665 43.136 27.356 1.00 20.00 N ATOM 364 CA CYS A 27 14.680 43.935 26.677 1.00 20.00 C ATOM 365 C CYS A 27 14.093 45.189 26.023 1.00 20.00 C ATOM 366 O CYS A 27 12.889 45.442 26.089 1.00 20.00 O ATOM 367 CB CYS A 27 15.394 43.054 25.645 1.00 20.00 C ATOM 368 SG CYS A 27 16.487 41.821 26.383 1.00 20.00 S ATOM 0 H CYS A 27 13.238 42.440 26.744 1.00 20.00 H new ATOM 0 HA CYS A 27 15.396 44.289 27.418 1.00 20.00 H new ATOM 0 HB2 CYS A 27 14.648 42.547 25.034 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.975 43.689 24.977 1.00 20.00 H new ATOM 373 N SER A 28 14.977 45.974 25.392 1.00 20.00 N ATOM 374 CA SER A 28 14.625 47.140 24.587 1.00 20.00 C ATOM 375 C SER A 28 14.574 46.811 23.087 1.00 20.00 C ATOM 376 O SER A 28 14.049 47.610 22.312 1.00 20.00 O ATOM 377 CB SER A 28 15.634 48.263 24.857 1.00 20.00 C ATOM 378 OG SER A 28 16.948 47.883 24.486 1.00 20.00 O ATOM 0 H SER A 28 15.982 45.807 25.432 1.00 20.00 H new ATOM 0 HA SER A 28 13.625 47.464 24.874 1.00 20.00 H new ATOM 0 HB2 SER A 28 15.343 49.156 24.304 1.00 20.00 H new ATOM 0 HB3 SER A 28 15.615 48.524 25.915 1.00 20.00 H new ATOM 0 HG SER A 28 17.566 48.621 24.669 1.00 20.00 H new ATOM 384 N THR A 29 15.112 45.646 22.690 1.00 20.00 N ATOM 385 CA THR A 29 15.276 45.210 21.308 1.00 20.00 C ATOM 386 C THR A 29 15.026 43.701 21.192 1.00 20.00 C ATOM 387 O THR A 29 14.011 43.300 20.621 1.00 20.00 O ATOM 388 CB THR A 29 16.669 45.611 20.767 1.00 20.00 C ATOM 389 OG1 THR A 29 17.696 45.322 21.701 1.00 20.00 O ATOM 390 CG2 THR A 29 16.741 47.097 20.408 1.00 20.00 C ATOM 0 H THR A 29 15.457 44.958 23.359 1.00 20.00 H new ATOM 0 HA THR A 29 14.535 45.715 20.688 1.00 20.00 H new ATOM 0 HB THR A 29 16.819 45.019 19.865 1.00 20.00 H new ATOM 0 HG1 THR A 29 18.536 45.727 21.400 1.00 20.00 H new ATOM 0 HG21 THR A 29 17.737 47.333 20.033 1.00 20.00 H new ATOM 0 HG22 THR A 29 16.001 47.322 19.640 1.00 20.00 H new ATOM 0 HG23 THR A 29 16.536 47.696 21.295 1.00 20.00 H new ATOM 398 N VAL A 30 15.942 42.872 21.713 1.00 20.00 N ATOM 399 CA VAL A 30 15.869 41.412 21.649 1.00 20.00 C ATOM 400 C VAL A 30 16.748 40.795 22.748 1.00 20.00 C ATOM 401 O VAL A 30 17.811 41.324 23.071 1.00 20.00 O ATOM 402 CB VAL A 30 16.258 40.929 20.224 1.00 20.00 C ATOM 403 CG1 VAL A 30 17.714 41.222 19.833 1.00 20.00 C ATOM 404 CG2 VAL A 30 15.987 39.436 20.007 1.00 20.00 C ATOM 0 H VAL A 30 16.772 43.209 22.201 1.00 20.00 H new ATOM 0 HA VAL A 30 14.848 41.078 21.834 1.00 20.00 H new ATOM 0 HB VAL A 30 15.609 41.517 19.575 1.00 20.00 H new ATOM 0 HG11 VAL A 30 17.901 40.853 18.825 1.00 20.00 H new ATOM 0 HG12 VAL A 30 17.890 42.297 19.864 1.00 20.00 H new ATOM 0 HG13 VAL A 30 18.386 40.724 20.532 1.00 20.00 H new ATOM 0 HG21 VAL A 30 16.278 39.157 18.994 1.00 20.00 H new ATOM 0 HG22 VAL A 30 16.565 38.853 20.725 1.00 20.00 H new ATOM 0 HG23 VAL A 30 14.925 39.235 20.148 1.00 20.00 H new ATOM 414 N CYS A 31 16.306 39.660 23.306 1.00 20.00 N ATOM 415 CA CYS A 31 17.093 38.818 24.203 1.00 20.00 C ATOM 416 C CYS A 31 18.094 37.990 23.389 1.00 20.00 C ATOM 417 O CYS A 31 17.714 37.353 22.407 1.00 20.00 O ATOM 418 CB CYS A 31 16.147 37.896 24.981 1.00 20.00 C ATOM 419 SG CYS A 31 15.265 38.675 26.343 1.00 20.00 S ATOM 0 H CYS A 31 15.367 39.297 23.139 1.00 20.00 H new ATOM 0 HA CYS A 31 17.647 39.440 24.906 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.417 37.482 24.286 1.00 20.00 H new ATOM 0 HB3 CYS A 31 16.724 37.059 25.374 1.00 20.00 H new ATOM 424 N CYS A 32 19.363 37.979 23.820 1.00 20.00 N ATOM 425 CA CYS A 32 20.458 37.271 23.160 1.00 20.00 C ATOM 426 C CYS A 32 21.127 36.318 24.155 1.00 20.00 C ATOM 427 O CYS A 32 21.632 36.773 25.181 1.00 20.00 O ATOM 428 CB CYS A 32 21.444 38.292 22.572 1.00 20.00 C ATOM 429 SG CYS A 32 22.786 37.535 21.617 1.00 20.00 S ATOM 0 H CYS A 32 19.659 38.477 24.660 1.00 20.00 H new ATOM 0 HA CYS A 32 20.080 36.667 22.335 1.00 20.00 H new ATOM 0 HB2 CYS A 32 20.898 38.984 21.931 1.00 20.00 H new ATOM 0 HB3 CYS A 32 21.873 38.880 23.384 1.00 20.00 H new ATOM 434 N ASP A 33 21.103 35.004 23.864 1.00 20.00 N ATOM 435 CA ASP A 33 21.657 33.948 24.720 1.00 20.00 C ATOM 436 C ASP A 33 23.195 33.977 24.772 1.00 20.00 C ATOM 437 O ASP A 33 23.871 33.262 24.035 1.00 20.00 O ATOM 438 CB ASP A 33 21.109 32.550 24.356 1.00 20.00 C ATOM 439 CG ASP A 33 20.948 32.263 22.860 1.00 20.00 C ATOM 440 OD1 ASP A 33 19.797 32.001 22.450 1.00 20.00 O ATOM 441 OD2 ASP A 33 21.969 32.261 22.141 1.00 20.00 O ATOM 0 H ASP A 33 20.687 34.643 23.006 1.00 20.00 H new ATOM 0 HA ASP A 33 21.313 34.163 25.732 1.00 20.00 H new ATOM 0 HB2 ASP A 33 21.774 31.798 24.781 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.139 32.425 24.837 1.00 20.00 H new ATOM 446 N LEU A 34 23.746 34.790 25.684 1.00 20.00 N ATOM 447 CA LEU A 34 25.186 34.985 25.859 1.00 20.00 C ATOM 448 C LEU A 34 25.908 33.703 26.299 1.00 20.00 C ATOM 449 O LEU A 34 27.065 33.505 25.926 1.00 20.00 O ATOM 450 CB LEU A 34 25.450 36.102 26.885 1.00 20.00 C ATOM 451 CG LEU A 34 24.770 37.455 26.583 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.156 38.469 27.666 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.140 37.999 25.193 1.00 20.00 C ATOM 0 H LEU A 34 23.187 35.342 26.334 1.00 20.00 H new ATOM 0 HA LEU A 34 25.586 35.268 24.885 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.117 35.758 27.864 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.526 36.263 26.952 1.00 20.00 H new ATOM 0 HG LEU A 34 23.692 37.294 26.585 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.678 39.426 27.456 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.827 38.105 28.639 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.238 38.599 27.674 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.636 38.952 25.029 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.219 38.144 25.134 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.828 37.287 24.429 1.00 20.00 H new ATOM 465 N SER A 35 25.230 32.824 27.054 1.00 20.00 N ATOM 466 CA SER A 35 25.772 31.545 27.499 1.00 20.00 C ATOM 467 C SER A 35 26.062 30.615 26.317 1.00 20.00 C ATOM 468 O SER A 35 27.044 29.878 26.362 1.00 20.00 O ATOM 469 CB SER A 35 24.777 30.893 28.467 1.00 20.00 C ATOM 470 OG SER A 35 25.262 29.657 28.950 1.00 20.00 O ATOM 0 H SER A 35 24.276 32.991 27.373 1.00 20.00 H new ATOM 0 HA SER A 35 26.720 31.722 28.007 1.00 20.00 H new ATOM 0 HB2 SER A 35 24.589 31.564 29.305 1.00 20.00 H new ATOM 0 HB3 SER A 35 23.823 30.739 27.962 1.00 20.00 H new ATOM 0 HG SER A 35 24.607 29.267 29.565 1.00 20.00 H new ATOM 476 N LYS A 36 25.237 30.669 25.260 1.00 20.00 N ATOM 477 CA LYS A 36 25.312 29.767 24.106 1.00 20.00 C ATOM 478 C LYS A 36 25.987 30.414 22.890 1.00 20.00 C ATOM 479 O LYS A 36 26.171 29.762 21.862 1.00 20.00 O ATOM 480 CB LYS A 36 23.911 29.210 23.781 1.00 20.00 C ATOM 481 CG LYS A 36 23.200 28.665 25.034 1.00 20.00 C ATOM 482 CD LYS A 36 22.054 27.704 24.695 1.00 20.00 C ATOM 483 CE LYS A 36 21.378 27.252 25.991 1.00 20.00 C ATOM 484 NZ LYS A 36 20.356 26.217 25.751 1.00 20.00 N ATOM 0 H LYS A 36 24.486 31.355 25.184 1.00 20.00 H new ATOM 0 HA LYS A 36 25.956 28.929 24.375 1.00 20.00 H new ATOM 0 HB2 LYS A 36 23.304 29.996 23.333 1.00 20.00 H new ATOM 0 HB3 LYS A 36 24.000 28.415 23.040 1.00 20.00 H new ATOM 0 HG2 LYS A 36 23.926 28.150 25.663 1.00 20.00 H new ATOM 0 HG3 LYS A 36 22.809 29.499 25.616 1.00 20.00 H new ATOM 0 HD2 LYS A 36 21.330 28.197 24.046 1.00 20.00 H new ATOM 0 HD3 LYS A 36 22.436 26.841 24.150 1.00 20.00 H new ATOM 0 HE2 LYS A 36 22.132 26.865 26.677 1.00 20.00 H new ATOM 0 HE3 LYS A 36 20.916 28.111 26.477 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 19.924 25.940 26.655 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 19.622 26.594 25.117 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 20.800 25.386 25.311 1.00 20.00 H new ATOM 498 N LEU A 37 26.382 31.682 23.035 1.00 20.00 N ATOM 499 CA LEU A 37 27.108 32.487 22.063 1.00 20.00 C ATOM 500 C LEU A 37 28.601 32.143 22.092 1.00 20.00 C ATOM 501 O LEU A 37 29.204 31.941 21.040 1.00 20.00 O ATOM 502 CB LEU A 37 26.852 33.970 22.401 1.00 20.00 C ATOM 503 CG LEU A 37 27.287 34.994 21.333 1.00 20.00 C ATOM 504 CD1 LEU A 37 26.556 34.799 19.995 1.00 20.00 C ATOM 505 CD2 LEU A 37 26.987 36.404 21.865 1.00 20.00 C ATOM 0 H LEU A 37 26.188 32.202 23.891 1.00 20.00 H new ATOM 0 HA LEU A 37 26.762 32.281 21.050 1.00 20.00 H new ATOM 0 HB2 LEU A 37 25.786 34.100 22.587 1.00 20.00 H new ATOM 0 HB3 LEU A 37 27.369 34.204 23.332 1.00 20.00 H new ATOM 0 HG LEU A 37 28.351 34.852 21.145 1.00 20.00 H new ATOM 0 HD11 LEU A 37 26.900 35.546 19.280 1.00 20.00 H new ATOM 0 HD12 LEU A 37 26.766 33.802 19.608 1.00 20.00 H new ATOM 0 HD13 LEU A 37 25.482 34.910 20.147 1.00 20.00 H new ATOM 0 HD21 LEU A 37 27.288 37.144 21.124 1.00 20.00 H new ATOM 0 HD22 LEU A 37 25.919 36.499 22.061 1.00 20.00 H new ATOM 0 HD23 LEU A 37 27.541 36.570 22.789 1.00 20.00 H new ATOM 517 N THR A 38 29.178 32.066 23.298 1.00 20.00 N ATOM 518 CA THR A 38 30.572 31.705 23.558 1.00 20.00 C ATOM 519 C THR A 38 30.806 30.180 23.470 1.00 20.00 C ATOM 520 O THR A 38 29.861 29.397 23.339 1.00 20.00 O ATOM 521 CB THR A 38 30.991 32.297 24.921 1.00 20.00 C ATOM 522 OG1 THR A 38 32.397 32.289 25.052 1.00 20.00 O ATOM 523 CG2 THR A 38 30.373 31.585 26.132 1.00 20.00 C ATOM 0 H THR A 38 28.661 32.263 24.155 1.00 20.00 H new ATOM 0 HA THR A 38 31.207 32.132 22.782 1.00 20.00 H new ATOM 0 HB THR A 38 30.606 33.317 24.922 1.00 20.00 H new ATOM 0 HG1 THR A 38 32.647 32.669 25.920 1.00 20.00 H new ATOM 0 HG21 THR A 38 30.718 32.062 27.049 1.00 20.00 H new ATOM 0 HG22 THR A 38 29.286 31.649 26.076 1.00 20.00 H new ATOM 0 HG23 THR A 38 30.675 30.538 26.132 1.00 20.00 H new ATOM 531 N GLY A 39 32.081 29.765 23.543 1.00 20.00 N ATOM 532 CA GLY A 39 32.531 28.375 23.506 1.00 20.00 C ATOM 533 C GLY A 39 33.700 28.159 24.472 1.00 20.00 C ATOM 534 O GLY A 39 33.548 28.342 25.681 1.00 20.00 O ATOM 0 H GLY A 39 32.856 30.422 23.633 1.00 20.00 H new ATOM 0 HA2 GLY A 39 31.706 27.713 23.771 1.00 20.00 H new ATOM 0 HA3 GLY A 39 32.837 28.113 22.493 1.00 20.00 H new ATOM 538 N CYS A 40 34.866 27.765 23.933 1.00 20.00 N ATOM 539 CA CYS A 40 36.101 27.495 24.684 1.00 20.00 C ATOM 540 C CYS A 40 36.649 28.723 25.431 1.00 20.00 C ATOM 541 O CYS A 40 37.386 28.550 26.399 1.00 20.00 O ATOM 542 CB CYS A 40 37.190 26.999 23.725 1.00 20.00 C ATOM 543 SG CYS A 40 37.309 25.195 23.466 1.00 20.00 S ATOM 0 H CYS A 40 34.977 27.621 22.929 1.00 20.00 H new ATOM 0 HA CYS A 40 35.842 26.742 25.428 1.00 20.00 H new ATOM 0 HB2 CYS A 40 37.028 27.470 22.756 1.00 20.00 H new ATOM 0 HB3 CYS A 40 38.153 27.352 24.094 1.00 20.00 H new ATOM 548 N LYS A 41 36.289 29.948 25.016 1.00 20.00 N ATOM 549 CA LYS A 41 36.572 31.176 25.774 1.00 20.00 C ATOM 550 C LYS A 41 36.023 31.151 27.213 1.00 20.00 C ATOM 551 O LYS A 41 36.587 31.818 28.080 1.00 20.00 O ATOM 552 CB LYS A 41 36.038 32.400 25.023 1.00 20.00 C ATOM 553 CG LYS A 41 36.935 32.822 23.846 1.00 20.00 C ATOM 554 CD LYS A 41 36.632 34.224 23.345 1.00 20.00 C ATOM 555 CE LYS A 41 35.181 34.356 22.779 1.00 20.00 C ATOM 556 NZ LYS A 41 34.912 35.740 22.335 1.00 20.00 N ATOM 0 H LYS A 41 35.791 30.115 24.141 1.00 20.00 H new ATOM 0 HA LYS A 41 37.657 31.239 25.860 1.00 20.00 H new ATOM 0 HB2 LYS A 41 35.037 32.182 24.650 1.00 20.00 H new ATOM 0 HB3 LYS A 41 35.945 33.234 25.719 1.00 20.00 H new ATOM 0 HG2 LYS A 41 37.979 32.770 24.154 1.00 20.00 H new ATOM 0 HG3 LYS A 41 36.809 32.114 23.027 1.00 20.00 H new ATOM 0 HD2 LYS A 41 36.767 34.935 24.160 1.00 20.00 H new ATOM 0 HD3 LYS A 41 37.348 34.491 22.568 1.00 20.00 H new ATOM 0 HE2 LYS A 41 35.049 33.669 21.943 1.00 20.00 H new ATOM 0 HE3 LYS A 41 34.460 34.069 23.545 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 33.943 35.803 21.963 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 35.017 36.390 23.140 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 35.587 36.002 21.589 1.00 20.00 H new ATOM 570 N GLY A 42 34.977 30.360 27.485 1.00 20.00 N ATOM 571 CA GLY A 42 34.393 30.141 28.798 1.00 20.00 C ATOM 572 C GLY A 42 34.556 28.681 29.216 1.00 20.00 C ATOM 573 O GLY A 42 33.627 27.890 29.058 1.00 20.00 O ATOM 0 H GLY A 42 34.498 29.834 26.754 1.00 20.00 H new ATOM 0 HA2 GLY A 42 34.873 30.791 29.530 1.00 20.00 H new ATOM 0 HA3 GLY A 42 33.336 30.405 28.782 1.00 20.00 H new ATOM 577 N LYS A 43 35.733 28.327 29.752 1.00 20.00 N ATOM 578 CA LYS A 43 36.033 27.028 30.333 1.00 20.00 C ATOM 579 C LYS A 43 35.406 26.980 31.728 1.00 20.00 C ATOM 580 O LYS A 43 34.371 26.344 31.920 1.00 20.00 O ATOM 581 CB LYS A 43 37.563 26.833 30.387 1.00 20.00 C ATOM 582 CG LYS A 43 38.195 26.533 29.012 1.00 20.00 C ATOM 583 CD LYS A 43 39.599 27.135 28.849 1.00 20.00 C ATOM 584 CE LYS A 43 39.559 28.664 28.726 1.00 20.00 C ATOM 585 NZ LYS A 43 40.912 29.249 28.774 1.00 20.00 N ATOM 0 H LYS A 43 36.526 28.968 29.790 1.00 20.00 H new ATOM 0 HA LYS A 43 35.620 26.219 29.731 1.00 20.00 H new ATOM 0 HB2 LYS A 43 38.021 27.732 30.800 1.00 20.00 H new ATOM 0 HB3 LYS A 43 37.793 26.015 31.070 1.00 20.00 H new ATOM 0 HG2 LYS A 43 38.251 25.453 28.872 1.00 20.00 H new ATOM 0 HG3 LYS A 43 37.546 26.923 28.228 1.00 20.00 H new ATOM 0 HD2 LYS A 43 40.214 26.856 29.704 1.00 20.00 H new ATOM 0 HD3 LYS A 43 40.074 26.713 27.964 1.00 20.00 H new ATOM 0 HE2 LYS A 43 39.075 28.942 27.790 1.00 20.00 H new ATOM 0 HE3 LYS A 43 38.954 29.079 29.532 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 41.001 29.978 28.038 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 41.072 29.678 29.708 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 41.619 28.504 28.610 1.00 20.00 H new ATOM 599 N GLY A 44 36.050 27.635 32.703 1.00 20.00 N ATOM 600 CA GLY A 44 35.778 27.469 34.127 1.00 20.00 C ATOM 601 C GLY A 44 36.168 26.080 34.655 1.00 20.00 C ATOM 602 O GLY A 44 35.904 25.784 35.818 1.00 20.00 O ATOM 0 H GLY A 44 36.791 28.310 32.513 1.00 20.00 H new ATOM 0 HA2 GLY A 44 36.322 28.230 34.686 1.00 20.00 H new ATOM 0 HA3 GLY A 44 34.717 27.636 34.310 1.00 20.00 H new ATOM 606 N GLY A 45 36.771 25.229 33.809 1.00 20.00 N ATOM 607 CA GLY A 45 37.105 23.841 34.113 1.00 20.00 C ATOM 608 C GLY A 45 38.508 23.719 34.703 1.00 20.00 C ATOM 609 O GLY A 45 38.802 24.337 35.726 1.00 20.00 O ATOM 0 H GLY A 45 37.045 25.504 32.866 1.00 20.00 H new ATOM 0 HA2 GLY A 45 36.377 23.436 34.816 1.00 20.00 H new ATOM 0 HA3 GLY A 45 37.038 23.242 33.205 1.00 20.00 H new ATOM 613 N GLU A 46 39.348 22.881 34.085 1.00 20.00 N ATOM 614 CA GLU A 46 40.665 22.504 34.595 1.00 20.00 C ATOM 615 C GLU A 46 41.728 22.425 33.488 1.00 20.00 C ATOM 616 O GLU A 46 41.410 22.419 32.298 1.00 20.00 O ATOM 617 CB GLU A 46 40.554 21.188 35.384 1.00 20.00 C ATOM 618 CG GLU A 46 40.247 19.940 34.541 1.00 20.00 C ATOM 619 CD GLU A 46 38.839 19.928 33.944 1.00 20.00 C ATOM 620 OE1 GLU A 46 38.744 20.027 32.701 1.00 20.00 O ATOM 621 OE2 GLU A 46 37.873 19.856 34.737 1.00 20.00 O ATOM 0 H GLU A 46 39.122 22.437 33.195 1.00 20.00 H new ATOM 0 HA GLU A 46 41.006 23.290 35.269 1.00 20.00 H new ATOM 0 HB2 GLU A 46 41.490 21.024 35.918 1.00 20.00 H new ATOM 0 HB3 GLU A 46 39.773 21.299 36.136 1.00 20.00 H new ATOM 0 HG2 GLU A 46 40.975 19.871 33.732 1.00 20.00 H new ATOM 0 HG3 GLU A 46 40.376 19.053 35.162 1.00 20.00 H new ATOM 628 N CYS A 47 43.002 22.353 33.898 1.00 20.00 N ATOM 629 CA CYS A 47 44.169 22.334 33.024 1.00 20.00 C ATOM 630 C CYS A 47 44.852 20.964 33.094 1.00 20.00 C ATOM 631 O CYS A 47 45.828 20.761 33.817 1.00 20.00 O ATOM 632 CB CYS A 47 45.089 23.511 33.373 1.00 20.00 C ATOM 633 SG CYS A 47 46.691 23.541 32.516 1.00 20.00 S ATOM 0 H CYS A 47 43.251 22.305 34.886 1.00 20.00 H new ATOM 0 HA CYS A 47 43.877 22.470 31.983 1.00 20.00 H new ATOM 0 HB2 CYS A 47 44.562 24.439 33.151 1.00 20.00 H new ATOM 0 HB3 CYS A 47 45.273 23.498 34.447 1.00 20.00 H new ATOM 638 N ASN A 48 44.305 20.020 32.324 1.00 20.00 N ATOM 639 CA ASN A 48 44.803 18.660 32.149 1.00 20.00 C ATOM 640 C ASN A 48 45.860 18.596 31.030 1.00 20.00 C ATOM 641 O ASN A 48 45.991 19.539 30.245 1.00 20.00 O ATOM 642 CB ASN A 48 43.588 17.741 31.888 1.00 20.00 C ATOM 643 CG ASN A 48 43.043 17.131 33.179 1.00 20.00 C ATOM 644 OD1 ASN A 48 42.760 15.936 33.224 1.00 20.00 O ATOM 645 ND2 ASN A 48 42.910 17.932 34.238 1.00 20.00 N ATOM 0 H ASN A 48 43.460 20.196 31.780 1.00 20.00 H new ATOM 0 HA ASN A 48 45.315 18.317 33.048 1.00 20.00 H new ATOM 0 HB2 ASN A 48 42.801 18.312 31.396 1.00 20.00 H new ATOM 0 HB3 ASN A 48 43.877 16.943 31.204 1.00 20.00 H new ATOM 0 HD21 ASN A 48 42.564 17.557 35.121 1.00 20.00 H new ATOM 0 HD22 ASN A 48 43.155 18.919 34.164 1.00 20.00 H new ATOM 652 N PRO A 49 46.638 17.496 30.956 1.00 20.00 N ATOM 653 CA PRO A 49 47.741 17.347 30.006 1.00 20.00 C ATOM 654 C PRO A 49 47.266 17.246 28.549 1.00 20.00 C ATOM 655 O PRO A 49 46.088 17.019 28.274 1.00 20.00 O ATOM 656 CB PRO A 49 48.497 16.082 30.447 1.00 20.00 C ATOM 657 CG PRO A 49 47.422 15.260 31.156 1.00 20.00 C ATOM 658 CD PRO A 49 46.592 16.338 31.840 1.00 20.00 C ATOM 0 HA PRO A 49 48.382 18.229 30.020 1.00 20.00 H new ATOM 0 HB2 PRO A 49 48.917 15.547 29.595 1.00 20.00 H new ATOM 0 HB3 PRO A 49 49.326 16.320 31.113 1.00 20.00 H new ATOM 0 HG2 PRO A 49 46.829 14.674 30.454 1.00 20.00 H new ATOM 0 HG3 PRO A 49 47.851 14.560 31.873 1.00 20.00 H new ATOM 0 HD2 PRO A 49 45.566 16.003 31.993 1.00 20.00 H new ATOM 0 HD3 PRO A 49 46.998 16.580 32.822 1.00 20.00 H new ATOM 666 N LEU A 50 48.215 17.359 27.611 1.00 20.00 N ATOM 667 CA LEU A 50 47.991 17.144 26.180 1.00 20.00 C ATOM 668 C LEU A 50 47.603 15.693 25.853 1.00 20.00 C ATOM 669 O LEU A 50 47.019 15.450 24.799 1.00 20.00 O ATOM 670 CB LEU A 50 49.280 17.503 25.407 1.00 20.00 C ATOM 671 CG LEU A 50 49.679 18.997 25.469 1.00 20.00 C ATOM 672 CD1 LEU A 50 51.116 19.161 24.962 1.00 20.00 C ATOM 673 CD2 LEU A 50 48.734 19.869 24.634 1.00 20.00 C ATOM 0 H LEU A 50 49.179 17.608 27.833 1.00 20.00 H new ATOM 0 HA LEU A 50 47.160 17.783 25.881 1.00 20.00 H new ATOM 0 HB2 LEU A 50 50.102 16.905 25.801 1.00 20.00 H new ATOM 0 HB3 LEU A 50 49.152 17.219 24.363 1.00 20.00 H new ATOM 0 HG LEU A 50 49.607 19.325 26.506 1.00 20.00 H new ATOM 0 HD11 LEU A 50 51.399 20.213 25.005 1.00 20.00 H new ATOM 0 HD12 LEU A 50 51.791 18.578 25.588 1.00 20.00 H new ATOM 0 HD13 LEU A 50 51.181 18.809 23.932 1.00 20.00 H new ATOM 0 HD21 LEU A 50 49.046 20.911 24.702 1.00 20.00 H new ATOM 0 HD22 LEU A 50 48.767 19.547 23.593 1.00 20.00 H new ATOM 0 HD23 LEU A 50 47.717 19.769 25.013 1.00 20.00 H new ATOM 685 N ASP A 51 47.904 14.753 26.760 1.00 20.00 N ATOM 686 CA ASP A 51 47.541 13.341 26.681 1.00 20.00 C ATOM 687 C ASP A 51 46.019 13.138 26.705 1.00 20.00 C ATOM 688 O ASP A 51 45.519 12.156 26.155 1.00 20.00 O ATOM 689 CB ASP A 51 48.150 12.589 27.878 1.00 20.00 C ATOM 690 CG ASP A 51 49.670 12.408 27.825 1.00 20.00 C ATOM 691 OD1 ASP A 51 50.119 11.336 28.288 1.00 20.00 O ATOM 692 OD2 ASP A 51 50.374 13.340 27.379 1.00 20.00 O ATOM 0 H ASP A 51 48.431 14.972 27.605 1.00 20.00 H new ATOM 0 HA ASP A 51 47.927 12.955 25.737 1.00 20.00 H new ATOM 0 HB2 ASP A 51 47.895 13.125 28.792 1.00 20.00 H new ATOM 0 HB3 ASP A 51 47.684 11.606 27.945 1.00 20.00 H new ATOM 697 N ARG A 52 45.283 14.076 27.325 1.00 20.00 N ATOM 698 CA ARG A 52 43.835 14.023 27.502 1.00 20.00 C ATOM 699 C ARG A 52 43.141 14.230 26.152 1.00 20.00 C ATOM 700 O ARG A 52 43.436 15.191 25.440 1.00 20.00 O ATOM 701 CB ARG A 52 43.414 15.092 28.532 1.00 20.00 C ATOM 702 CG ARG A 52 42.170 14.684 29.328 1.00 20.00 C ATOM 703 CD ARG A 52 42.531 13.613 30.368 1.00 20.00 C ATOM 704 NE ARG A 52 41.367 13.199 31.165 1.00 20.00 N ATOM 705 CZ ARG A 52 41.416 12.348 32.201 1.00 20.00 C ATOM 706 NH1 ARG A 52 42.569 11.808 32.608 1.00 20.00 N ATOM 707 NH2 ARG A 52 40.293 12.028 32.841 1.00 20.00 N ATOM 0 H ARG A 52 45.700 14.916 27.727 1.00 20.00 H new ATOM 0 HA ARG A 52 43.534 13.046 27.881 1.00 20.00 H new ATOM 0 HB2 ARG A 52 44.239 15.272 29.221 1.00 20.00 H new ATOM 0 HB3 ARG A 52 43.219 16.032 28.016 1.00 20.00 H new ATOM 0 HG2 ARG A 52 41.746 15.556 29.826 1.00 20.00 H new ATOM 0 HG3 ARG A 52 41.406 14.301 28.651 1.00 20.00 H new ATOM 0 HD2 ARG A 52 42.950 12.744 29.861 1.00 20.00 H new ATOM 0 HD3 ARG A 52 43.305 13.999 31.031 1.00 20.00 H new ATOM 0 HE ARG A 52 40.458 13.586 30.912 1.00 20.00 H new ATOM 0 HH11 ARG A 52 43.438 12.040 32.128 1.00 20.00 H new ATOM 0 HH12 ARG A 52 42.579 11.164 33.399 1.00 20.00 H new ATOM 0 HH21 ARG A 52 39.404 12.429 32.543 1.00 20.00 H new ATOM 0 HH22 ARG A 52 40.322 11.382 33.630 1.00 20.00 H new ATOM 721 N GLN A 53 42.230 13.316 25.796 1.00 20.00 N ATOM 722 CA GLN A 53 41.449 13.396 24.564 1.00 20.00 C ATOM 723 C GLN A 53 40.352 14.455 24.700 1.00 20.00 C ATOM 724 O GLN A 53 39.310 14.221 25.317 1.00 20.00 O ATOM 725 CB GLN A 53 40.841 12.037 24.191 1.00 20.00 C ATOM 726 CG GLN A 53 41.901 11.036 23.699 1.00 20.00 C ATOM 727 CD GLN A 53 41.279 9.749 23.152 1.00 20.00 C ATOM 728 OE1 GLN A 53 40.311 9.230 23.703 1.00 20.00 O ATOM 729 NE2 GLN A 53 41.832 9.224 22.061 1.00 20.00 N ATOM 0 H GLN A 53 42.015 12.495 26.362 1.00 20.00 H new ATOM 0 HA GLN A 53 42.124 13.686 23.759 1.00 20.00 H new ATOM 0 HB2 GLN A 53 40.327 11.621 25.058 1.00 20.00 H new ATOM 0 HB3 GLN A 53 40.090 12.179 23.413 1.00 20.00 H new ATOM 0 HG2 GLN A 53 42.505 11.503 22.921 1.00 20.00 H new ATOM 0 HG3 GLN A 53 42.574 10.790 24.521 1.00 20.00 H new ATOM 0 HE21 GLN A 53 42.635 9.679 21.627 1.00 20.00 H new ATOM 0 HE22 GLN A 53 41.453 8.367 21.659 1.00 20.00 H new ATOM 738 N CYS A 54 40.619 15.627 24.114 1.00 20.00 N ATOM 739 CA CYS A 54 39.722 16.781 24.066 1.00 20.00 C ATOM 740 C CYS A 54 40.131 17.760 22.943 1.00 20.00 C ATOM 741 O CYS A 54 41.084 17.505 22.201 1.00 20.00 O ATOM 742 CB CYS A 54 39.648 17.439 25.452 1.00 20.00 C ATOM 743 SG CYS A 54 41.215 17.845 26.283 1.00 20.00 S ATOM 0 H CYS A 54 41.505 15.802 23.640 1.00 20.00 H new ATOM 0 HA CYS A 54 38.715 16.450 23.813 1.00 20.00 H new ATOM 0 HB2 CYS A 54 39.072 18.359 25.356 1.00 20.00 H new ATOM 0 HB3 CYS A 54 39.083 16.776 26.108 1.00 20.00 H new ATOM 748 N LYS A 55 39.373 18.863 22.806 1.00 20.00 N ATOM 749 CA LYS A 55 39.520 19.907 21.786 1.00 20.00 C ATOM 750 C LYS A 55 40.910 20.571 21.848 1.00 20.00 C ATOM 751 O LYS A 55 41.647 20.437 22.822 1.00 20.00 O ATOM 752 CB LYS A 55 38.394 20.946 21.990 1.00 20.00 C ATOM 753 CG LYS A 55 37.940 21.704 20.733 1.00 20.00 C ATOM 754 CD LYS A 55 37.020 20.857 19.845 1.00 20.00 C ATOM 755 CE LYS A 55 36.483 21.711 18.694 1.00 20.00 C ATOM 756 NZ LYS A 55 35.473 20.976 17.912 1.00 20.00 N ATOM 0 H LYS A 55 38.599 19.057 23.442 1.00 20.00 H new ATOM 0 HA LYS A 55 39.437 19.460 20.795 1.00 20.00 H new ATOM 0 HB2 LYS A 55 37.529 20.436 22.415 1.00 20.00 H new ATOM 0 HB3 LYS A 55 38.729 21.675 22.728 1.00 20.00 H new ATOM 0 HG2 LYS A 55 37.419 22.615 21.029 1.00 20.00 H new ATOM 0 HG3 LYS A 55 38.815 22.009 20.159 1.00 20.00 H new ATOM 0 HD2 LYS A 55 37.567 20.001 19.451 1.00 20.00 H new ATOM 0 HD3 LYS A 55 36.192 20.462 20.434 1.00 20.00 H new ATOM 0 HE2 LYS A 55 36.044 22.626 19.091 1.00 20.00 H new ATOM 0 HE3 LYS A 55 37.306 22.008 18.043 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 35.126 21.579 17.139 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 35.900 20.115 17.515 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 34.678 20.715 18.530 1.00 20.00 H new ATOM 770 N GLU A 56 41.263 21.313 20.796 1.00 20.00 N ATOM 771 CA GLU A 56 42.518 22.045 20.648 1.00 20.00 C ATOM 772 C GLU A 56 42.246 23.406 20.012 1.00 20.00 C ATOM 773 O GLU A 56 41.625 23.478 18.954 1.00 20.00 O ATOM 774 CB GLU A 56 43.477 21.225 19.775 1.00 20.00 C ATOM 775 CG GLU A 56 44.885 21.827 19.663 1.00 20.00 C ATOM 776 CD GLU A 56 45.732 21.063 18.644 1.00 20.00 C ATOM 777 OE1 GLU A 56 45.957 21.619 17.547 1.00 20.00 O ATOM 778 OE2 GLU A 56 46.126 19.918 18.958 1.00 20.00 O ATOM 0 H GLU A 56 40.651 21.423 19.987 1.00 20.00 H new ATOM 0 HA GLU A 56 42.974 22.204 21.625 1.00 20.00 H new ATOM 0 HB2 GLU A 56 43.555 20.218 20.185 1.00 20.00 H new ATOM 0 HB3 GLU A 56 43.052 21.131 18.776 1.00 20.00 H new ATOM 0 HG2 GLU A 56 44.814 22.874 19.369 1.00 20.00 H new ATOM 0 HG3 GLU A 56 45.373 21.802 20.637 1.00 20.00 H new ATOM 785 N LEU A 57 42.756 24.462 20.655 1.00 20.00 N ATOM 786 CA LEU A 57 42.690 25.857 20.222 1.00 20.00 C ATOM 787 C LEU A 57 43.908 26.619 20.745 1.00 20.00 C ATOM 788 O LEU A 57 44.052 26.789 21.955 1.00 20.00 O ATOM 789 CB LEU A 57 41.422 26.558 20.751 1.00 20.00 C ATOM 790 CG LEU A 57 40.070 26.057 20.217 1.00 20.00 C ATOM 791 CD1 LEU A 57 38.979 26.907 20.865 1.00 20.00 C ATOM 792 CD2 LEU A 57 39.914 26.179 18.696 1.00 20.00 C ATOM 0 H LEU A 57 43.253 24.358 21.540 1.00 20.00 H new ATOM 0 HA LEU A 57 42.668 25.858 19.132 1.00 20.00 H new ATOM 0 HB2 LEU A 57 41.412 26.465 21.837 1.00 20.00 H new ATOM 0 HB3 LEU A 57 41.503 27.621 20.523 1.00 20.00 H new ATOM 0 HG LEU A 57 40.000 24.997 20.460 1.00 20.00 H new ATOM 0 HD11 LEU A 57 38.003 26.579 20.509 1.00 20.00 H new ATOM 0 HD12 LEU A 57 39.026 26.795 21.948 1.00 20.00 H new ATOM 0 HD13 LEU A 57 39.129 27.954 20.601 1.00 20.00 H new ATOM 0 HD21 LEU A 57 38.934 25.805 18.400 1.00 20.00 H new ATOM 0 HD22 LEU A 57 40.007 27.225 18.403 1.00 20.00 H new ATOM 0 HD23 LEU A 57 40.690 25.594 18.203 1.00 20.00 H new ATOM 804 N GLN A 58 44.770 27.098 19.840 1.00 20.00 N ATOM 805 CA GLN A 58 45.924 27.931 20.184 1.00 20.00 C ATOM 806 C GLN A 58 45.539 29.301 20.779 1.00 20.00 C ATOM 807 O GLN A 58 46.368 29.922 21.441 1.00 20.00 O ATOM 808 CB GLN A 58 46.842 28.079 18.960 1.00 20.00 C ATOM 809 CG GLN A 58 46.273 28.962 17.836 1.00 20.00 C ATOM 810 CD GLN A 58 47.081 28.850 16.542 1.00 20.00 C ATOM 811 OE1 GLN A 58 48.303 28.722 16.559 1.00 20.00 O ATOM 812 NE2 GLN A 58 46.408 28.908 15.395 1.00 20.00 N ATOM 0 H GLN A 58 44.684 26.916 18.840 1.00 20.00 H new ATOM 0 HA GLN A 58 46.467 27.419 20.979 1.00 20.00 H new ATOM 0 HB2 GLN A 58 47.795 28.497 19.285 1.00 20.00 H new ATOM 0 HB3 GLN A 58 47.050 27.088 18.556 1.00 20.00 H new ATOM 0 HG2 GLN A 58 45.239 28.677 17.642 1.00 20.00 H new ATOM 0 HG3 GLN A 58 46.261 30.001 18.165 1.00 20.00 H new ATOM 0 HE21 GLN A 58 45.394 29.014 15.404 1.00 20.00 H new ATOM 0 HE22 GLN A 58 46.907 28.846 14.507 1.00 20.00 H new ATOM 821 N ALA A 59 44.293 29.761 20.576 1.00 20.00 N ATOM 822 CA ALA A 59 43.775 31.028 21.086 1.00 20.00 C ATOM 823 C ALA A 59 43.459 31.015 22.590 1.00 20.00 C ATOM 824 O ALA A 59 43.343 32.088 23.179 1.00 20.00 O ATOM 825 CB ALA A 59 42.510 31.386 20.300 1.00 20.00 C ATOM 0 H ALA A 59 43.603 29.240 20.035 1.00 20.00 H new ATOM 0 HA ALA A 59 44.560 31.772 20.951 1.00 20.00 H new ATOM 0 HB1 ALA A 59 42.108 32.330 20.667 1.00 20.00 H new ATOM 0 HB2 ALA A 59 42.754 31.482 19.242 1.00 20.00 H new ATOM 0 HB3 ALA A 59 41.766 30.600 20.430 1.00 20.00 H new ATOM 831 N GLU A 60 43.334 29.835 23.218 1.00 20.00 N ATOM 832 CA GLU A 60 42.866 29.669 24.597 1.00 20.00 C ATOM 833 C GLU A 60 43.798 28.796 25.431 1.00 20.00 C ATOM 834 O GLU A 60 44.157 29.180 26.544 1.00 20.00 O ATOM 835 CB GLU A 60 41.454 29.067 24.603 1.00 20.00 C ATOM 836 CG GLU A 60 40.403 30.100 24.195 1.00 20.00 C ATOM 837 CD GLU A 60 40.349 31.286 25.165 1.00 20.00 C ATOM 838 OE1 GLU A 60 40.577 32.426 24.706 1.00 20.00 O ATOM 839 OE2 GLU A 60 40.110 31.046 26.369 1.00 20.00 O ATOM 0 H GLU A 60 43.562 28.949 22.766 1.00 20.00 H new ATOM 0 HA GLU A 60 42.854 30.660 25.051 1.00 20.00 H new ATOM 0 HB2 GLU A 60 41.416 28.218 23.920 1.00 20.00 H new ATOM 0 HB3 GLU A 60 41.224 28.686 25.598 1.00 20.00 H new ATOM 0 HG2 GLU A 60 40.624 30.464 23.191 1.00 20.00 H new ATOM 0 HG3 GLU A 60 39.424 29.623 24.153 1.00 20.00 H new ATOM 846 N SER A 61 44.160 27.617 24.910 1.00 20.00 N ATOM 847 CA SER A 61 45.018 26.660 25.609 1.00 20.00 C ATOM 848 C SER A 61 46.441 27.177 25.881 1.00 20.00 C ATOM 849 O SER A 61 47.113 26.652 26.770 1.00 20.00 O ATOM 850 CB SER A 61 45.065 25.338 24.851 1.00 20.00 C ATOM 851 OG SER A 61 45.798 25.423 23.648 1.00 20.00 O ATOM 0 H SER A 61 43.863 27.301 23.987 1.00 20.00 H new ATOM 0 HA SER A 61 44.565 26.509 26.589 1.00 20.00 H new ATOM 0 HB2 SER A 61 45.510 24.574 25.489 1.00 20.00 H new ATOM 0 HB3 SER A 61 44.048 25.015 24.629 1.00 20.00 H new ATOM 0 HG SER A 61 45.265 25.893 22.973 1.00 20.00 H new ATOM 857 N ALA A 62 46.874 28.223 25.157 1.00 20.00 N ATOM 858 CA ALA A 62 48.132 28.936 25.366 1.00 20.00 C ATOM 859 C ALA A 62 48.217 29.647 26.730 1.00 20.00 C ATOM 860 O ALA A 62 49.316 30.024 27.136 1.00 20.00 O ATOM 861 CB ALA A 62 48.308 29.945 24.225 1.00 20.00 C ATOM 0 H ALA A 62 46.332 28.605 24.382 1.00 20.00 H new ATOM 0 HA ALA A 62 48.937 28.201 25.368 1.00 20.00 H new ATOM 0 HB1 ALA A 62 49.242 30.489 24.361 1.00 20.00 H new ATOM 0 HB2 ALA A 62 48.332 29.416 23.272 1.00 20.00 H new ATOM 0 HB3 ALA A 62 47.475 30.648 24.229 1.00 20.00 H new ATOM 867 N SER A 63 47.092 29.790 27.451 1.00 20.00 N ATOM 868 CA SER A 63 47.044 30.306 28.818 1.00 20.00 C ATOM 869 C SER A 63 47.803 29.392 29.790 1.00 20.00 C ATOM 870 O SER A 63 48.611 29.890 30.574 1.00 20.00 O ATOM 871 CB SER A 63 45.584 30.479 29.244 1.00 20.00 C ATOM 872 OG SER A 63 45.506 31.075 30.523 1.00 20.00 O ATOM 0 H SER A 63 46.172 29.543 27.085 1.00 20.00 H new ATOM 0 HA SER A 63 47.540 31.276 28.845 1.00 20.00 H new ATOM 0 HB2 SER A 63 45.058 31.097 28.516 1.00 20.00 H new ATOM 0 HB3 SER A 63 45.086 29.509 29.258 1.00 20.00 H new ATOM 0 HG SER A 63 44.566 31.179 30.778 1.00 20.00 H new ATOM 878 N CYS A 64 47.589 28.067 29.710 1.00 20.00 N ATOM 879 CA CYS A 64 48.408 27.074 30.409 1.00 20.00 C ATOM 880 C CYS A 64 49.698 26.726 29.641 1.00 20.00 C ATOM 881 O CYS A 64 50.589 26.104 30.220 1.00 20.00 O ATOM 882 CB CYS A 64 47.587 25.803 30.689 1.00 20.00 C ATOM 883 SG CYS A 64 47.289 25.491 32.455 1.00 20.00 S ATOM 0 H CYS A 64 46.838 27.658 29.154 1.00 20.00 H new ATOM 0 HA CYS A 64 48.713 27.520 31.356 1.00 20.00 H new ATOM 0 HB2 CYS A 64 46.628 25.882 30.177 1.00 20.00 H new ATOM 0 HB3 CYS A 64 48.107 24.945 30.261 1.00 20.00 H new ATOM 888 N GLY A 65 49.820 27.135 28.368 1.00 20.00 N ATOM 889 CA GLY A 65 50.992 26.906 27.529 1.00 20.00 C ATOM 890 C GLY A 65 50.947 25.555 26.808 1.00 20.00 C ATOM 891 O GLY A 65 49.884 24.944 26.674 1.00 20.00 O ATOM 0 H GLY A 65 49.081 27.648 27.887 1.00 20.00 H new ATOM 0 HA2 GLY A 65 51.067 27.705 26.791 1.00 20.00 H new ATOM 0 HA3 GLY A 65 51.890 26.955 28.145 1.00 20.00 H new ATOM 895 N LYS A 66 52.120 25.111 26.325 1.00 20.00 N ATOM 896 CA LYS A 66 52.349 23.848 25.608 1.00 20.00 C ATOM 897 C LYS A 66 52.336 22.607 26.529 1.00 20.00 C ATOM 898 O LYS A 66 53.190 21.722 26.436 1.00 20.00 O ATOM 899 CB LYS A 66 53.636 23.948 24.766 1.00 20.00 C ATOM 900 CG LYS A 66 54.895 24.295 25.584 1.00 20.00 C ATOM 901 CD LYS A 66 56.190 23.800 24.924 1.00 20.00 C ATOM 902 CE LYS A 66 56.326 22.283 25.096 1.00 20.00 C ATOM 903 NZ LYS A 66 57.587 21.776 24.529 1.00 20.00 N ATOM 0 H LYS A 66 52.978 25.653 26.431 1.00 20.00 H new ATOM 0 HA LYS A 66 51.506 23.696 24.933 1.00 20.00 H new ATOM 0 HB2 LYS A 66 53.798 22.999 24.254 1.00 20.00 H new ATOM 0 HB3 LYS A 66 53.496 24.706 23.995 1.00 20.00 H new ATOM 0 HG2 LYS A 66 54.950 25.376 25.716 1.00 20.00 H new ATOM 0 HG3 LYS A 66 54.809 23.856 26.578 1.00 20.00 H new ATOM 0 HD2 LYS A 66 56.187 24.054 23.864 1.00 20.00 H new ATOM 0 HD3 LYS A 66 57.049 24.302 25.370 1.00 20.00 H new ATOM 0 HE2 LYS A 66 56.278 22.032 26.156 1.00 20.00 H new ATOM 0 HE3 LYS A 66 55.485 21.786 24.612 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 57.640 20.746 24.666 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 57.622 21.992 23.512 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 58.391 22.231 25.008 1.00 20.00 H new ATOM 917 N GLY A 67 51.329 22.542 27.405 1.00 20.00 N ATOM 918 CA GLY A 67 51.016 21.423 28.283 1.00 20.00 C ATOM 919 C GLY A 67 49.509 21.253 28.503 1.00 20.00 C ATOM 920 O GLY A 67 49.125 20.439 29.340 1.00 20.00 O ATOM 0 H GLY A 67 50.676 23.316 27.523 1.00 20.00 H new ATOM 0 HA2 GLY A 67 51.423 20.506 27.857 1.00 20.00 H new ATOM 0 HA3 GLY A 67 51.506 21.572 29.245 1.00 20.00 H new ATOM 924 N GLN A 68 48.664 22.000 27.774 1.00 20.00 N ATOM 925 CA GLN A 68 47.214 21.892 27.813 1.00 20.00 C ATOM 926 C GLN A 68 46.614 22.147 26.421 1.00 20.00 C ATOM 927 O GLN A 68 47.244 22.743 25.545 1.00 20.00 O ATOM 928 CB GLN A 68 46.692 22.908 28.842 1.00 20.00 C ATOM 929 CG GLN A 68 45.233 22.672 29.270 1.00 20.00 C ATOM 930 CD GLN A 68 44.357 23.904 29.052 1.00 20.00 C ATOM 931 OE1 GLN A 68 43.919 24.172 27.937 1.00 20.00 O ATOM 932 NE2 GLN A 68 44.098 24.669 30.112 1.00 20.00 N ATOM 0 H GLN A 68 48.991 22.715 27.124 1.00 20.00 H new ATOM 0 HA GLN A 68 46.916 20.886 28.107 1.00 20.00 H new ATOM 0 HB2 GLN A 68 47.329 22.874 29.726 1.00 20.00 H new ATOM 0 HB3 GLN A 68 46.780 23.911 28.424 1.00 20.00 H new ATOM 0 HG2 GLN A 68 44.823 21.834 28.707 1.00 20.00 H new ATOM 0 HG3 GLN A 68 45.207 22.392 30.323 1.00 20.00 H new ATOM 0 HE21 GLN A 68 44.477 24.420 31.026 1.00 20.00 H new ATOM 0 HE22 GLN A 68 43.521 25.504 30.010 1.00 20.00 H new ATOM 941 N LYS A 69 45.362 21.704 26.264 1.00 20.00 N ATOM 942 CA LYS A 69 44.466 21.904 25.131 1.00 20.00 C ATOM 943 C LYS A 69 43.029 22.034 25.664 1.00 20.00 C ATOM 944 O LYS A 69 42.735 21.446 26.707 1.00 20.00 O ATOM 945 CB LYS A 69 44.678 20.747 24.146 1.00 20.00 C ATOM 946 CG LYS A 69 44.326 19.349 24.690 1.00 20.00 C ATOM 947 CD LYS A 69 44.887 18.189 23.857 1.00 20.00 C ATOM 948 CE LYS A 69 44.630 18.309 22.353 1.00 20.00 C ATOM 949 NZ LYS A 69 45.717 19.045 21.681 1.00 20.00 N ATOM 0 H LYS A 69 44.915 21.148 26.993 1.00 20.00 H new ATOM 0 HA LYS A 69 44.673 22.823 24.583 1.00 20.00 H new ATOM 0 HB2 LYS A 69 44.078 20.934 23.256 1.00 20.00 H new ATOM 0 HB3 LYS A 69 45.722 20.745 23.832 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.701 19.264 25.710 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.241 19.254 24.740 1.00 20.00 H new ATOM 0 HD2 LYS A 69 45.962 18.123 24.026 1.00 20.00 H new ATOM 0 HD3 LYS A 69 44.451 17.256 24.215 1.00 20.00 H new ATOM 0 HE2 LYS A 69 44.538 17.314 21.917 1.00 20.00 H new ATOM 0 HE3 LYS A 69 43.682 18.820 22.183 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 45.706 18.828 20.664 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 45.581 20.067 21.819 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 46.631 18.759 22.086 1.00 20.00 H new ATOM 963 N CYS A 70 42.162 22.811 24.981 1.00 20.00 N ATOM 964 CA CYS A 70 40.803 23.137 25.453 1.00 20.00 C ATOM 965 C CYS A 70 40.017 21.863 25.816 1.00 20.00 C ATOM 966 O CYS A 70 39.658 21.080 24.939 1.00 20.00 O ATOM 967 CB CYS A 70 40.021 24.011 24.450 1.00 20.00 C ATOM 968 SG CYS A 70 38.353 24.444 25.059 1.00 20.00 S ATOM 0 H CYS A 70 42.389 23.232 24.080 1.00 20.00 H new ATOM 0 HA CYS A 70 40.921 23.731 26.359 1.00 20.00 H new ATOM 0 HB2 CYS A 70 40.582 24.925 24.254 1.00 20.00 H new ATOM 0 HB3 CYS A 70 39.933 23.481 23.502 1.00 20.00 H new ATOM 973 N CYS A 71 39.786 21.648 27.122 1.00 20.00 N ATOM 974 CA CYS A 71 39.296 20.380 27.674 1.00 20.00 C ATOM 975 C CYS A 71 37.937 20.510 28.375 1.00 20.00 C ATOM 976 O CYS A 71 37.566 19.647 29.176 1.00 20.00 O ATOM 977 CB CYS A 71 40.392 19.766 28.564 1.00 20.00 C ATOM 978 SG CYS A 71 40.703 18.001 28.264 1.00 20.00 S ATOM 0 H CYS A 71 39.938 22.364 27.833 1.00 20.00 H new ATOM 0 HA CYS A 71 39.096 19.693 26.852 1.00 20.00 H new ATOM 0 HB2 CYS A 71 41.320 20.317 28.409 1.00 20.00 H new ATOM 0 HB3 CYS A 71 40.112 19.900 29.609 1.00 20.00 H new ATOM 983 N VAL A 72 37.214 21.602 28.078 1.00 20.00 N ATOM 984 CA VAL A 72 36.003 22.025 28.769 1.00 20.00 C ATOM 985 C VAL A 72 35.002 22.509 27.716 1.00 20.00 C ATOM 986 O VAL A 72 35.281 23.468 26.994 1.00 20.00 O ATOM 987 CB VAL A 72 36.326 23.138 29.787 1.00 20.00 C ATOM 988 CG1 VAL A 72 35.148 23.285 30.759 1.00 20.00 C ATOM 989 CG2 VAL A 72 37.615 22.900 30.595 1.00 20.00 C ATOM 0 H VAL A 72 37.474 22.233 27.320 1.00 20.00 H new ATOM 0 HA VAL A 72 35.573 21.194 29.327 1.00 20.00 H new ATOM 0 HB VAL A 72 36.489 24.046 29.207 1.00 20.00 H new ATOM 0 HG11 VAL A 72 35.369 24.070 31.482 1.00 20.00 H new ATOM 0 HG12 VAL A 72 34.248 23.547 30.203 1.00 20.00 H new ATOM 0 HG13 VAL A 72 34.989 22.343 31.284 1.00 20.00 H new ATOM 0 HG21 VAL A 72 37.769 23.728 31.287 1.00 20.00 H new ATOM 0 HG22 VAL A 72 37.526 21.970 31.156 1.00 20.00 H new ATOM 0 HG23 VAL A 72 38.464 22.833 29.915 1.00 20.00 H new ATOM 999 N TRP A 73 33.859 21.817 27.610 1.00 20.00 N ATOM 1000 CA TRP A 73 32.754 22.181 26.728 1.00 20.00 C ATOM 1001 C TRP A 73 31.694 22.991 27.486 1.00 20.00 C ATOM 1002 O TRP A 73 31.802 23.215 28.694 1.00 20.00 O ATOM 1003 CB TRP A 73 32.154 20.920 26.091 1.00 20.00 C ATOM 1004 CG TRP A 73 33.086 20.098 25.252 1.00 20.00 C ATOM 1005 CD1 TRP A 73 33.918 20.551 24.302 1.00 20.00 C ATOM 1006 CD2 TRP A 73 33.258 18.643 25.284 1.00 20.00 C ATOM 1007 NE1 TRP A 73 34.602 19.485 23.730 1.00 20.00 N ATOM 1008 CE2 TRP A 73 34.223 18.299 24.298 1.00 20.00 C ATOM 1009 CE3 TRP A 73 32.685 17.617 26.039 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 34.609 16.950 24.085 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 33.048 16.268 25.824 1.00 20.00 C ATOM 1012 CH2 TRP A 73 34.013 15.945 24.852 1.00 20.00 C ATOM 0 H TRP A 73 33.678 20.970 28.150 1.00 20.00 H new ATOM 0 HA TRP A 73 33.134 22.817 25.928 1.00 20.00 H new ATOM 0 HB2 TRP A 73 31.760 20.288 26.887 1.00 20.00 H new ATOM 0 HB3 TRP A 73 31.307 21.218 25.472 1.00 20.00 H new ATOM 0 HD1 TRP A 73 34.038 21.588 24.024 1.00 20.00 H new ATOM 0 HE1 TRP A 73 35.294 19.575 22.986 1.00 20.00 H new ATOM 0 HE3 TRP A 73 31.955 17.858 26.797 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 35.352 16.704 23.341 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 32.585 15.485 26.406 1.00 20.00 H new ATOM 0 HH2 TRP A 73 34.295 14.914 24.698 1.00 20.00 H new ATOM 1023 N LEU A 74 30.685 23.462 26.745 1.00 20.00 N ATOM 1024 CA LEU A 74 29.689 24.405 27.241 1.00 20.00 C ATOM 1025 C LEU A 74 28.629 23.675 28.079 1.00 20.00 C ATOM 1026 O LEU A 74 28.479 23.961 29.268 1.00 20.00 O ATOM 1027 CB LEU A 74 29.096 25.188 26.047 1.00 20.00 C ATOM 1028 CG LEU A 74 28.542 26.593 26.360 1.00 20.00 C ATOM 1029 CD1 LEU A 74 27.439 26.581 27.425 1.00 20.00 C ATOM 1030 CD2 LEU A 74 29.667 27.568 26.746 1.00 20.00 C ATOM 0 H LEU A 74 30.539 23.193 25.772 1.00 20.00 H new ATOM 0 HA LEU A 74 30.150 25.131 27.910 1.00 20.00 H new ATOM 0 HB2 LEU A 74 29.869 25.287 25.285 1.00 20.00 H new ATOM 0 HB3 LEU A 74 28.293 24.593 25.612 1.00 20.00 H new ATOM 0 HG LEU A 74 28.081 26.947 25.438 1.00 20.00 H new ATOM 0 HD11 LEU A 74 27.091 27.599 27.600 1.00 20.00 H new ATOM 0 HD12 LEU A 74 26.607 25.968 27.080 1.00 20.00 H new ATOM 0 HD13 LEU A 74 27.834 26.168 28.353 1.00 20.00 H new ATOM 0 HD21 LEU A 74 29.241 28.548 26.960 1.00 20.00 H new ATOM 0 HD22 LEU A 74 30.184 27.196 27.631 1.00 20.00 H new ATOM 0 HD23 LEU A 74 30.375 27.652 25.921 1.00 20.00 H new ATOM 1042 N HIS A 75 27.916 22.725 27.455 1.00 20.00 N ATOM 1043 CA HIS A 75 26.848 21.928 28.051 1.00 20.00 C ATOM 1044 C HIS A 75 27.382 20.983 29.134 1.00 20.00 C ATOM 1045 O HIS A 75 26.742 20.935 30.207 1.00 20.00 O ATOM 1046 CB HIS A 75 26.129 21.151 26.941 1.00 20.00 C ATOM 1047 CG HIS A 75 24.943 20.365 27.432 1.00 20.00 C ATOM 1048 ND1 HIS A 75 23.769 20.898 27.935 1.00 20.00 N ATOM 1049 CD2 HIS A 75 24.828 19.006 27.445 1.00 20.00 C ATOM 1050 CE1 HIS A 75 22.959 19.883 28.242 1.00 20.00 C ATOM 1051 NE2 HIS A 75 23.579 18.709 27.954 1.00 20.00 N ATOM 1052 OXT HIS A 75 28.419 20.326 28.883 1.00 20.00 O ATOM 0 H HIS A 75 28.080 22.485 26.477 1.00 20.00 H new ATOM 0 HA HIS A 75 26.141 22.596 28.543 1.00 20.00 H new ATOM 0 HB2 HIS A 75 25.799 21.851 26.173 1.00 20.00 H new ATOM 0 HB3 HIS A 75 26.836 20.470 26.468 1.00 20.00 H new ATOM 0 HD2 HIS A 75 25.573 18.296 27.119 1.00 20.00 H new ATOM 0 HE1 HIS A 75 21.966 19.980 28.655 1.00 20.00 H new ATOM 0 HE2 HIS A 75 23.191 17.775 28.089 1.00 20.00 H new TER 1061 HIS A 75