USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 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 61 SER OG : rot -15:sc= 0.339 USER MOD Set 1.2: A 68 GLN : amide:sc= -1.88 K(o=-1.5,f=-0.97) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00558) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.031) 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) USER MOD Single : A 23 SER OG : rot -33:sc= 0.226 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -150:sc= 0.0242 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 0.321 (180deg=0.00888) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.54) 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 69 LYS NZ :NH3+ -163:sc= -0.149 (180deg=-0.369) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.219 32.729 25.402 1.00 20.00 N ATOM 18 CA GLU A 2 12.628 31.557 24.627 1.00 20.00 C ATOM 19 C GLU A 2 14.145 31.503 24.396 1.00 20.00 C ATOM 20 O GLU A 2 14.724 30.417 24.374 1.00 20.00 O ATOM 21 CB GLU A 2 11.862 31.576 23.297 1.00 20.00 C ATOM 22 CG GLU A 2 11.978 30.250 22.531 1.00 20.00 C ATOM 23 CD GLU A 2 10.959 30.132 21.393 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.698 31.151 20.715 1.00 20.00 O ATOM 25 OE2 GLU A 2 10.440 29.009 21.212 1.00 20.00 O ATOM 0 HA GLU A 2 12.386 30.656 25.191 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.811 31.789 23.490 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.242 32.386 22.674 1.00 20.00 H new ATOM 0 HG2 GLU A 2 12.984 30.158 22.123 1.00 20.00 H new ATOM 0 HG3 GLU A 2 11.839 29.421 23.225 1.00 20.00 H new ATOM 32 N CYS A 3 14.782 32.677 24.292 1.00 20.00 N ATOM 33 CA CYS A 3 16.231 32.867 24.272 1.00 20.00 C ATOM 34 C CYS A 3 16.888 32.199 25.485 1.00 20.00 C ATOM 35 O CYS A 3 17.706 31.297 25.318 1.00 20.00 O ATOM 36 CB CYS A 3 16.540 34.371 24.239 1.00 20.00 C ATOM 37 SG CYS A 3 15.989 35.191 22.725 1.00 20.00 S ATOM 0 H CYS A 3 14.274 33.558 24.216 1.00 20.00 H new ATOM 0 HA CYS A 3 16.643 32.396 23.379 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.065 34.850 25.095 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.615 34.515 24.350 1.00 20.00 H new ATOM 42 N VAL A 4 16.505 32.623 26.698 1.00 20.00 N ATOM 43 CA VAL A 4 17.029 32.141 27.975 1.00 20.00 C ATOM 44 C VAL A 4 16.696 30.657 28.193 1.00 20.00 C ATOM 45 O VAL A 4 17.509 29.934 28.763 1.00 20.00 O ATOM 46 CB VAL A 4 16.479 33.013 29.128 1.00 20.00 C ATOM 47 CG1 VAL A 4 17.056 32.582 30.487 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.806 34.505 28.919 1.00 20.00 C ATOM 0 H VAL A 4 15.791 33.342 26.816 1.00 20.00 H new ATOM 0 HA VAL A 4 18.116 32.226 27.959 1.00 20.00 H new ATOM 0 HB VAL A 4 15.398 32.871 29.125 1.00 20.00 H new ATOM 0 HG11 VAL A 4 16.647 33.217 31.273 1.00 20.00 H new ATOM 0 HG12 VAL A 4 16.789 31.544 30.683 1.00 20.00 H new ATOM 0 HG13 VAL A 4 18.141 32.680 30.469 1.00 20.00 H new ATOM 0 HG21 VAL A 4 16.403 35.085 29.749 1.00 20.00 H new ATOM 0 HG22 VAL A 4 17.887 34.638 28.874 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.359 34.848 27.986 1.00 20.00 H new ATOM 58 N SER A 5 15.532 30.193 27.720 1.00 20.00 N ATOM 59 CA SER A 5 15.076 28.809 27.832 1.00 20.00 C ATOM 60 C SER A 5 15.901 27.836 26.976 1.00 20.00 C ATOM 61 O SER A 5 15.869 26.635 27.236 1.00 20.00 O ATOM 62 CB SER A 5 13.599 28.724 27.436 1.00 20.00 C ATOM 63 OG SER A 5 12.804 29.550 28.266 1.00 20.00 O ATOM 0 H SER A 5 14.864 30.792 27.235 1.00 20.00 H new ATOM 0 HA SER A 5 15.210 28.508 28.871 1.00 20.00 H new ATOM 0 HB2 SER A 5 13.480 29.025 26.395 1.00 20.00 H new ATOM 0 HB3 SER A 5 13.258 27.691 27.510 1.00 20.00 H new ATOM 0 HG SER A 5 11.865 29.481 27.993 1.00 20.00 H new ATOM 69 N LYS A 6 16.666 28.339 25.998 1.00 20.00 N ATOM 70 CA LYS A 6 17.616 27.593 25.179 1.00 20.00 C ATOM 71 C LYS A 6 19.073 27.818 25.629 1.00 20.00 C ATOM 72 O LYS A 6 19.965 27.125 25.142 1.00 20.00 O ATOM 73 CB LYS A 6 17.431 28.002 23.709 1.00 20.00 C ATOM 74 CG LYS A 6 16.125 27.491 23.080 1.00 20.00 C ATOM 75 CD LYS A 6 16.270 26.039 22.600 1.00 20.00 C ATOM 76 CE LYS A 6 14.991 25.512 21.948 1.00 20.00 C ATOM 77 NZ LYS A 6 13.915 25.316 22.937 1.00 20.00 N ATOM 0 H LYS A 6 16.633 29.327 25.748 1.00 20.00 H new ATOM 0 HA LYS A 6 17.415 26.528 25.298 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.455 29.089 23.639 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.274 27.626 23.129 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.317 27.557 23.809 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.849 28.129 22.240 1.00 20.00 H new ATOM 0 HD2 LYS A 6 17.092 25.975 21.887 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.532 25.404 23.446 1.00 20.00 H new ATOM 0 HE2 LYS A 6 14.658 26.212 21.182 1.00 20.00 H new ATOM 0 HE3 LYS A 6 15.201 24.567 21.447 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 13.075 24.926 22.464 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 14.236 24.655 23.673 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.674 26.229 23.373 1.00 20.00 H new ATOM 91 N GLY A 7 19.316 28.748 26.563 1.00 20.00 N ATOM 92 CA GLY A 7 20.608 29.046 27.170 1.00 20.00 C ATOM 93 C GLY A 7 21.290 30.295 26.608 1.00 20.00 C ATOM 94 O GLY A 7 22.390 30.628 27.040 1.00 20.00 O ATOM 0 H GLY A 7 18.572 29.341 26.931 1.00 20.00 H new ATOM 0 HA2 GLY A 7 20.472 29.172 28.244 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.269 28.190 27.030 1.00 20.00 H new ATOM 98 N PHE A 8 20.653 30.971 25.646 1.00 20.00 N ATOM 99 CA PHE A 8 21.133 32.180 24.984 1.00 20.00 C ATOM 100 C PHE A 8 20.743 33.437 25.776 1.00 20.00 C ATOM 101 O PHE A 8 20.064 33.355 26.800 1.00 20.00 O ATOM 102 CB PHE A 8 20.561 32.207 23.554 1.00 20.00 C ATOM 103 CG PHE A 8 20.752 30.915 22.775 1.00 20.00 C ATOM 104 CD1 PHE A 8 22.031 30.335 22.656 1.00 20.00 C ATOM 105 CD2 PHE A 8 19.643 30.267 22.200 1.00 20.00 C ATOM 106 CE1 PHE A 8 22.195 29.131 21.954 1.00 20.00 C ATOM 107 CE2 PHE A 8 19.822 29.079 21.466 1.00 20.00 C ATOM 108 CZ PHE A 8 21.096 28.509 21.345 1.00 20.00 C ATOM 0 H PHE A 8 19.744 30.672 25.293 1.00 20.00 H new ATOM 0 HA PHE A 8 22.222 32.171 24.937 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.496 32.431 23.606 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.031 33.022 23.003 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.886 30.818 23.106 1.00 20.00 H new ATOM 0 HD2 PHE A 8 18.653 30.682 22.322 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.174 28.681 21.882 1.00 20.00 H new ATOM 0 HE2 PHE A 8 18.974 28.605 20.994 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.231 27.595 20.785 1.00 20.00 H new ATOM 118 N GLY A 9 21.187 34.604 25.288 1.00 20.00 N ATOM 119 CA GLY A 9 20.984 35.905 25.921 1.00 20.00 C ATOM 120 C GLY A 9 20.192 36.879 25.054 1.00 20.00 C ATOM 121 O GLY A 9 19.742 36.532 23.963 1.00 20.00 O ATOM 0 H GLY A 9 21.712 34.665 24.416 1.00 20.00 H new ATOM 0 HA2 GLY A 9 20.462 35.764 26.867 1.00 20.00 H new ATOM 0 HA3 GLY A 9 21.954 36.343 26.155 1.00 20.00 H new ATOM 125 N CYS A 10 20.044 38.108 25.564 1.00 20.00 N ATOM 126 CA CYS A 10 19.443 39.243 24.885 1.00 20.00 C ATOM 127 C CYS A 10 20.373 40.455 25.004 1.00 20.00 C ATOM 128 O CYS A 10 20.132 41.359 25.804 1.00 20.00 O ATOM 129 CB CYS A 10 18.036 39.529 25.429 1.00 20.00 C ATOM 130 SG CYS A 10 16.802 38.210 25.299 1.00 20.00 S ATOM 0 H CYS A 10 20.358 38.340 26.506 1.00 20.00 H new ATOM 0 HA CYS A 10 19.320 39.012 23.827 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.131 39.798 26.481 1.00 20.00 H new ATOM 0 HB3 CYS A 10 17.647 40.405 24.910 1.00 20.00 H new ATOM 135 N LEU A 11 21.446 40.452 24.200 1.00 20.00 N ATOM 136 CA LEU A 11 22.362 41.578 24.015 1.00 20.00 C ATOM 137 C LEU A 11 21.685 42.659 23.154 1.00 20.00 C ATOM 138 O LEU A 11 20.741 42.342 22.433 1.00 20.00 O ATOM 139 CB LEU A 11 23.646 41.057 23.327 1.00 20.00 C ATOM 140 CG LEU A 11 24.693 40.382 24.238 1.00 20.00 C ATOM 141 CD1 LEU A 11 25.378 41.401 25.154 1.00 20.00 C ATOM 142 CD2 LEU A 11 24.148 39.219 25.074 1.00 20.00 C ATOM 0 H LEU A 11 21.705 39.637 23.644 1.00 20.00 H new ATOM 0 HA LEU A 11 22.621 42.021 24.977 1.00 20.00 H new ATOM 0 HB2 LEU A 11 23.354 40.343 22.557 1.00 20.00 H new ATOM 0 HB3 LEU A 11 24.125 41.895 22.820 1.00 20.00 H new ATOM 0 HG LEU A 11 25.423 39.955 23.550 1.00 20.00 H new ATOM 0 HD11 LEU A 11 26.109 40.892 25.782 1.00 20.00 H new ATOM 0 HD12 LEU A 11 25.882 42.154 24.548 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.631 41.883 25.785 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.949 38.803 25.684 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.349 39.580 25.721 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.758 38.446 24.412 1.00 20.00 H new ATOM 154 N PRO A 12 22.178 43.915 23.154 1.00 20.00 N ATOM 155 CA PRO A 12 21.726 44.934 22.213 1.00 20.00 C ATOM 156 C PRO A 12 22.215 44.611 20.799 1.00 20.00 C ATOM 157 O PRO A 12 23.174 43.862 20.616 1.00 20.00 O ATOM 158 CB PRO A 12 22.326 46.243 22.727 1.00 20.00 C ATOM 159 CG PRO A 12 23.617 45.806 23.408 1.00 20.00 C ATOM 160 CD PRO A 12 23.255 44.442 23.990 1.00 20.00 C ATOM 0 HA PRO A 12 20.639 44.991 22.152 1.00 20.00 H new ATOM 0 HB2 PRO A 12 22.519 46.942 21.913 1.00 20.00 H new ATOM 0 HB3 PRO A 12 21.655 46.744 23.425 1.00 20.00 H new ATOM 0 HG2 PRO A 12 24.443 45.736 22.700 1.00 20.00 H new ATOM 0 HG3 PRO A 12 23.921 46.508 24.184 1.00 20.00 H new ATOM 0 HD2 PRO A 12 24.116 43.774 23.982 1.00 20.00 H new ATOM 0 HD3 PRO A 12 22.933 44.534 25.027 1.00 20.00 H new ATOM 168 N GLN A 13 21.578 45.228 19.799 1.00 20.00 N ATOM 169 CA GLN A 13 22.009 45.180 18.404 1.00 20.00 C ATOM 170 C GLN A 13 23.397 45.819 18.221 1.00 20.00 C ATOM 171 O GLN A 13 24.134 45.440 17.315 1.00 20.00 O ATOM 172 CB GLN A 13 20.975 45.902 17.529 1.00 20.00 C ATOM 173 CG GLN A 13 19.626 45.167 17.481 1.00 20.00 C ATOM 174 CD GLN A 13 18.583 45.966 16.699 1.00 20.00 C ATOM 175 OE1 GLN A 13 18.838 46.423 15.587 1.00 20.00 O ATOM 176 NE2 GLN A 13 17.385 46.141 17.262 1.00 20.00 N ATOM 0 H GLN A 13 20.734 45.783 19.942 1.00 20.00 H new ATOM 0 HA GLN A 13 22.085 44.136 18.102 1.00 20.00 H new ATOM 0 HB2 GLN A 13 20.822 46.911 17.912 1.00 20.00 H new ATOM 0 HB3 GLN A 13 21.367 46.001 16.517 1.00 20.00 H new ATOM 0 HG2 GLN A 13 19.759 44.189 17.019 1.00 20.00 H new ATOM 0 HG3 GLN A 13 19.268 44.994 18.496 1.00 20.00 H new ATOM 0 HE21 GLN A 13 17.194 45.753 18.186 1.00 20.00 H new ATOM 0 HE22 GLN A 13 16.661 46.662 16.768 1.00 20.00 H new ATOM 185 N SER A 14 23.764 46.765 19.098 1.00 20.00 N ATOM 186 CA SER A 14 25.034 47.482 19.074 1.00 20.00 C ATOM 187 C SER A 14 26.243 46.605 19.443 1.00 20.00 C ATOM 188 O SER A 14 27.363 47.003 19.132 1.00 20.00 O ATOM 189 CB SER A 14 24.955 48.690 20.030 1.00 20.00 C ATOM 190 OG SER A 14 23.896 49.581 19.664 1.00 20.00 O ATOM 0 H SER A 14 23.160 47.057 19.867 1.00 20.00 H new ATOM 0 HA SER A 14 25.194 47.809 18.046 1.00 20.00 H new ATOM 0 HB2 SER A 14 24.800 48.338 21.050 1.00 20.00 H new ATOM 0 HB3 SER A 14 25.904 49.227 20.019 1.00 20.00 H new ATOM 0 HG SER A 14 23.872 50.335 20.290 1.00 20.00 H new ATOM 196 N ASP A 15 26.036 45.426 20.056 1.00 20.00 N ATOM 197 CA ASP A 15 27.091 44.505 20.471 1.00 20.00 C ATOM 198 C ASP A 15 26.921 43.119 19.835 1.00 20.00 C ATOM 199 O ASP A 15 27.910 42.546 19.378 1.00 20.00 O ATOM 200 CB ASP A 15 27.107 44.403 21.999 1.00 20.00 C ATOM 201 CG ASP A 15 27.476 45.713 22.705 1.00 20.00 C ATOM 202 OD1 ASP A 15 26.817 46.020 23.722 1.00 20.00 O ATOM 203 OD2 ASP A 15 28.415 46.392 22.234 1.00 20.00 O ATOM 0 H ASP A 15 25.101 45.085 20.279 1.00 20.00 H new ATOM 0 HA ASP A 15 28.046 44.899 20.124 1.00 20.00 H new ATOM 0 HB2 ASP A 15 26.124 44.081 22.342 1.00 20.00 H new ATOM 0 HB3 ASP A 15 27.817 43.630 22.294 1.00 20.00 H new ATOM 208 N CYS A 16 25.688 42.589 19.765 1.00 20.00 N ATOM 209 CA CYS A 16 25.372 41.355 19.052 1.00 20.00 C ATOM 210 C CYS A 16 25.548 41.566 17.536 1.00 20.00 C ATOM 211 O CYS A 16 24.841 42.408 16.975 1.00 20.00 O ATOM 212 CB CYS A 16 23.934 40.916 19.360 1.00 20.00 C ATOM 213 SG CYS A 16 23.567 39.245 18.759 1.00 20.00 S ATOM 0 H CYS A 16 24.877 43.017 20.211 1.00 20.00 H new ATOM 0 HA CYS A 16 26.054 40.572 19.384 1.00 20.00 H new ATOM 0 HB2 CYS A 16 23.770 40.954 20.437 1.00 20.00 H new ATOM 0 HB3 CYS A 16 23.238 41.622 18.906 1.00 20.00 H new ATOM 218 N PRO A 17 26.443 40.820 16.854 1.00 20.00 N ATOM 219 CA PRO A 17 26.621 40.910 15.408 1.00 20.00 C ATOM 220 C PRO A 17 25.400 40.356 14.661 1.00 20.00 C ATOM 221 O PRO A 17 24.584 39.648 15.241 1.00 20.00 O ATOM 222 CB PRO A 17 27.896 40.117 15.122 1.00 20.00 C ATOM 223 CG PRO A 17 27.884 39.038 16.201 1.00 20.00 C ATOM 224 CD PRO A 17 27.310 39.786 17.401 1.00 20.00 C ATOM 0 HA PRO A 17 26.712 41.939 15.062 1.00 20.00 H new ATOM 0 HB2 PRO A 17 27.886 39.686 14.121 1.00 20.00 H new ATOM 0 HB3 PRO A 17 28.785 40.745 15.190 1.00 20.00 H new ATOM 0 HG2 PRO A 17 27.265 38.187 15.918 1.00 20.00 H new ATOM 0 HG3 PRO A 17 28.884 38.652 16.402 1.00 20.00 H new ATOM 0 HD2 PRO A 17 26.751 39.112 18.050 1.00 20.00 H new ATOM 0 HD3 PRO A 17 28.105 40.223 18.005 1.00 20.00 H new ATOM 232 N GLN A 18 25.266 40.680 13.373 1.00 20.00 N ATOM 233 CA GLN A 18 24.089 40.418 12.542 1.00 20.00 C ATOM 234 C GLN A 18 23.920 38.931 12.178 1.00 20.00 C ATOM 235 O GLN A 18 22.929 38.564 11.554 1.00 20.00 O ATOM 236 CB GLN A 18 24.155 41.295 11.280 1.00 20.00 C ATOM 237 CG GLN A 18 24.086 42.798 11.607 1.00 20.00 C ATOM 238 CD GLN A 18 24.134 43.665 10.348 1.00 20.00 C ATOM 239 OE1 GLN A 18 25.145 43.691 9.648 1.00 20.00 O ATOM 240 NE2 GLN A 18 23.047 44.378 10.045 1.00 20.00 N ATOM 0 H GLN A 18 26.008 41.153 12.858 1.00 20.00 H new ATOM 0 HA GLN A 18 23.207 40.677 13.128 1.00 20.00 H new ATOM 0 HB2 GLN A 18 25.080 41.085 10.742 1.00 20.00 H new ATOM 0 HB3 GLN A 18 23.333 41.032 10.615 1.00 20.00 H new ATOM 0 HG2 GLN A 18 23.168 43.007 12.155 1.00 20.00 H new ATOM 0 HG3 GLN A 18 24.916 43.064 12.262 1.00 20.00 H new ATOM 0 HE21 GLN A 18 22.224 44.334 10.647 1.00 20.00 H new ATOM 0 HE22 GLN A 18 23.039 44.966 9.212 1.00 20.00 H new ATOM 249 N GLU A 19 24.869 38.083 12.580 1.00 20.00 N ATOM 250 CA GLU A 19 24.960 36.652 12.336 1.00 20.00 C ATOM 251 C GLU A 19 24.494 35.835 13.549 1.00 20.00 C ATOM 252 O GLU A 19 23.858 34.802 13.368 1.00 20.00 O ATOM 253 CB GLU A 19 26.412 36.304 11.966 1.00 20.00 C ATOM 254 CG GLU A 19 27.491 37.041 12.784 1.00 20.00 C ATOM 255 CD GLU A 19 28.918 36.565 12.506 1.00 20.00 C ATOM 256 OE1 GLU A 19 29.202 36.172 11.353 1.00 20.00 O ATOM 257 OE2 GLU A 19 29.728 36.629 13.458 1.00 20.00 O ATOM 0 H GLU A 19 25.660 38.415 13.132 1.00 20.00 H new ATOM 0 HA GLU A 19 24.296 36.393 11.511 1.00 20.00 H new ATOM 0 HB2 GLU A 19 26.555 35.230 12.090 1.00 20.00 H new ATOM 0 HB3 GLU A 19 26.564 36.526 10.910 1.00 20.00 H new ATOM 0 HG2 GLU A 19 27.427 38.108 12.571 1.00 20.00 H new ATOM 0 HG3 GLU A 19 27.277 36.914 13.845 1.00 20.00 H new ATOM 264 N ALA A 20 24.774 36.293 14.775 1.00 20.00 N ATOM 265 CA ALA A 20 24.407 35.633 16.022 1.00 20.00 C ATOM 266 C ALA A 20 22.937 35.839 16.417 1.00 20.00 C ATOM 267 O ALA A 20 22.450 35.119 17.283 1.00 20.00 O ATOM 268 CB ALA A 20 25.337 36.128 17.133 1.00 20.00 C ATOM 0 H ALA A 20 25.281 37.165 14.925 1.00 20.00 H new ATOM 0 HA ALA A 20 24.522 34.560 15.872 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.073 35.642 18.072 1.00 20.00 H new ATOM 0 HB2 ALA A 20 26.369 35.888 16.878 1.00 20.00 H new ATOM 0 HB3 ALA A 20 25.232 37.207 17.241 1.00 20.00 H new ATOM 274 N ARG A 21 22.223 36.783 15.788 1.00 20.00 N ATOM 275 CA ARG A 21 20.827 37.107 16.077 1.00 20.00 C ATOM 276 C ARG A 21 19.907 35.946 15.691 1.00 20.00 C ATOM 277 O ARG A 21 19.868 35.540 14.529 1.00 20.00 O ATOM 278 CB ARG A 21 20.427 38.393 15.339 1.00 20.00 C ATOM 279 CG ARG A 21 21.177 39.614 15.885 1.00 20.00 C ATOM 280 CD ARG A 21 20.982 40.837 14.987 1.00 20.00 C ATOM 281 NE ARG A 21 21.948 41.893 15.313 1.00 20.00 N ATOM 282 CZ ARG A 21 21.946 43.140 14.823 1.00 20.00 C ATOM 283 NH1 ARG A 21 20.963 43.590 14.040 1.00 20.00 N ATOM 284 NH2 ARG A 21 22.960 43.949 15.116 1.00 20.00 N ATOM 0 H ARG A 21 22.617 37.357 15.042 1.00 20.00 H new ATOM 0 HA ARG A 21 20.719 37.271 17.149 1.00 20.00 H new ATOM 0 HB2 ARG A 21 20.636 38.283 14.275 1.00 20.00 H new ATOM 0 HB3 ARG A 21 19.353 38.551 15.438 1.00 20.00 H new ATOM 0 HG2 ARG A 21 20.824 39.840 16.891 1.00 20.00 H new ATOM 0 HG3 ARG A 21 22.240 39.385 15.964 1.00 20.00 H new ATOM 0 HD2 ARG A 21 21.095 40.547 13.943 1.00 20.00 H new ATOM 0 HD3 ARG A 21 19.968 41.219 15.103 1.00 20.00 H new ATOM 0 HE ARG A 21 22.689 41.656 15.973 1.00 20.00 H new ATOM 0 HH11 ARG A 21 20.183 42.979 13.798 1.00 20.00 H new ATOM 0 HH12 ARG A 21 20.992 44.545 13.683 1.00 20.00 H new ATOM 0 HH21 ARG A 21 23.723 43.617 15.705 1.00 20.00 H new ATOM 0 HH22 ARG A 21 22.974 44.901 14.751 1.00 20.00 H new ATOM 298 N LEU A 22 19.172 35.433 16.684 1.00 20.00 N ATOM 299 CA LEU A 22 18.177 34.368 16.526 1.00 20.00 C ATOM 300 C LEU A 22 16.807 34.952 16.146 1.00 20.00 C ATOM 301 O LEU A 22 16.641 36.168 16.039 1.00 20.00 O ATOM 302 CB LEU A 22 18.092 33.570 17.839 1.00 20.00 C ATOM 303 CG LEU A 22 19.403 32.831 18.186 1.00 20.00 C ATOM 304 CD1 LEU A 22 19.482 32.612 19.696 1.00 20.00 C ATOM 305 CD2 LEU A 22 19.486 31.484 17.450 1.00 20.00 C ATOM 0 H LEU A 22 19.256 35.757 17.647 1.00 20.00 H new ATOM 0 HA LEU A 22 18.480 33.702 15.718 1.00 20.00 H new ATOM 0 HB2 LEU A 22 17.838 34.248 18.653 1.00 20.00 H new ATOM 0 HB3 LEU A 22 17.282 32.844 17.764 1.00 20.00 H new ATOM 0 HG LEU A 22 20.245 33.444 17.863 1.00 20.00 H new ATOM 0 HD11 LEU A 22 20.407 32.090 19.940 1.00 20.00 H new ATOM 0 HD12 LEU A 22 19.464 33.576 20.205 1.00 20.00 H new ATOM 0 HD13 LEU A 22 18.631 32.013 20.022 1.00 20.00 H new ATOM 0 HD21 LEU A 22 20.418 30.983 17.711 1.00 20.00 H new ATOM 0 HD22 LEU A 22 18.643 30.857 17.742 1.00 20.00 H new ATOM 0 HD23 LEU A 22 19.455 31.655 16.374 1.00 20.00 H new ATOM 317 N SER A 23 15.825 34.060 15.952 1.00 20.00 N ATOM 318 CA SER A 23 14.450 34.387 15.570 1.00 20.00 C ATOM 319 C SER A 23 13.470 34.321 16.760 1.00 20.00 C ATOM 320 O SER A 23 12.288 34.621 16.591 1.00 20.00 O ATOM 321 CB SER A 23 14.040 33.451 14.425 1.00 20.00 C ATOM 322 OG SER A 23 12.847 33.893 13.812 1.00 20.00 O ATOM 0 H SER A 23 15.975 33.057 16.061 1.00 20.00 H new ATOM 0 HA SER A 23 14.406 35.422 15.232 1.00 20.00 H new ATOM 0 HB2 SER A 23 14.838 33.405 13.684 1.00 20.00 H new ATOM 0 HB3 SER A 23 13.903 32.440 14.808 1.00 20.00 H new ATOM 0 HG SER A 23 12.274 34.321 14.482 1.00 20.00 H new ATOM 328 N TYR A 24 13.949 33.961 17.960 1.00 20.00 N ATOM 329 CA TYR A 24 13.182 33.878 19.200 1.00 20.00 C ATOM 330 C TYR A 24 12.712 35.250 19.722 1.00 20.00 C ATOM 331 O TYR A 24 13.071 36.300 19.182 1.00 20.00 O ATOM 332 CB TYR A 24 14.063 33.199 20.255 1.00 20.00 C ATOM 333 CG TYR A 24 14.541 31.788 19.956 1.00 20.00 C ATOM 334 CD1 TYR A 24 15.832 31.415 20.380 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.721 30.845 19.305 1.00 20.00 C ATOM 336 CE1 TYR A 24 16.299 30.113 20.159 1.00 20.00 C ATOM 337 CE2 TYR A 24 14.179 29.531 19.092 1.00 20.00 C ATOM 338 CZ TYR A 24 15.470 29.158 19.526 1.00 20.00 C ATOM 339 OH TYR A 24 15.927 27.889 19.338 1.00 20.00 O ATOM 0 H TYR A 24 14.928 33.709 18.093 1.00 20.00 H new ATOM 0 HA TYR A 24 12.277 33.304 18.998 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.940 33.826 20.417 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.510 33.176 21.194 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.464 32.136 20.877 1.00 20.00 H new ATOM 0 HD2 TYR A 24 12.736 31.132 18.968 1.00 20.00 H new ATOM 0 HE1 TYR A 24 17.295 29.838 20.473 1.00 20.00 H new ATOM 0 HE2 TYR A 24 13.545 28.810 18.598 1.00 20.00 H new ATOM 0 HH TYR A 24 15.237 27.356 18.891 1.00 20.00 H new ATOM 349 N GLY A 25 11.914 35.212 20.800 1.00 20.00 N ATOM 350 CA GLY A 25 11.366 36.366 21.498 1.00 20.00 C ATOM 351 C GLY A 25 11.630 36.328 23.008 1.00 20.00 C ATOM 352 O GLY A 25 12.310 35.436 23.521 1.00 20.00 O ATOM 0 H GLY A 25 11.625 34.330 21.222 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.798 37.276 21.081 1.00 20.00 H new ATOM 0 HA3 GLY A 25 10.291 36.414 21.323 1.00 20.00 H new ATOM 356 N GLY A 26 11.085 37.336 23.701 1.00 20.00 N ATOM 357 CA GLY A 26 11.211 37.560 25.136 1.00 20.00 C ATOM 358 C GLY A 26 12.245 38.634 25.497 1.00 20.00 C ATOM 359 O GLY A 26 12.276 39.075 26.645 1.00 20.00 O ATOM 0 H GLY A 26 10.516 38.051 23.247 1.00 20.00 H new ATOM 0 HA2 GLY A 26 10.240 37.851 25.537 1.00 20.00 H new ATOM 0 HA3 GLY A 26 11.487 36.623 25.619 1.00 20.00 H new ATOM 363 N CYS A 27 13.076 39.070 24.539 1.00 20.00 N ATOM 364 CA CYS A 27 14.094 40.103 24.732 1.00 20.00 C ATOM 365 C CYS A 27 13.498 41.512 24.835 1.00 20.00 C ATOM 366 O CYS A 27 12.294 41.707 24.664 1.00 20.00 O ATOM 367 CB CYS A 27 15.092 40.036 23.574 1.00 20.00 C ATOM 368 SG CYS A 27 16.013 38.487 23.443 1.00 20.00 S ATOM 0 H CYS A 27 13.055 38.703 23.588 1.00 20.00 H new ATOM 0 HA CYS A 27 14.593 39.908 25.681 1.00 20.00 H new ATOM 0 HB2 CYS A 27 14.553 40.200 22.641 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.803 40.855 23.680 1.00 20.00 H new ATOM 373 N SER A 28 14.373 42.493 25.099 1.00 20.00 N ATOM 374 CA SER A 28 14.047 43.915 25.138 1.00 20.00 C ATOM 375 C SER A 28 14.586 44.661 23.909 1.00 20.00 C ATOM 376 O SER A 28 14.138 45.777 23.646 1.00 20.00 O ATOM 377 CB SER A 28 14.603 44.538 26.425 1.00 20.00 C ATOM 378 OG SER A 28 14.105 43.876 27.571 1.00 20.00 O ATOM 0 H SER A 28 15.356 42.307 25.297 1.00 20.00 H new ATOM 0 HA SER A 28 12.961 44.011 25.124 1.00 20.00 H new ATOM 0 HB2 SER A 28 15.692 44.486 26.416 1.00 20.00 H new ATOM 0 HB3 SER A 28 14.335 45.594 26.466 1.00 20.00 H new ATOM 0 HG SER A 28 14.477 44.292 28.377 1.00 20.00 H new ATOM 384 N THR A 29 15.504 44.042 23.147 1.00 20.00 N ATOM 385 CA THR A 29 16.130 44.585 21.943 1.00 20.00 C ATOM 386 C THR A 29 16.222 43.498 20.864 1.00 20.00 C ATOM 387 O THR A 29 15.512 43.582 19.862 1.00 20.00 O ATOM 388 CB THR A 29 17.507 45.210 22.255 1.00 20.00 C ATOM 389 OG1 THR A 29 18.319 44.340 23.021 1.00 20.00 O ATOM 390 CG2 THR A 29 17.388 46.546 23.009 1.00 20.00 C ATOM 0 H THR A 29 15.841 43.106 23.370 1.00 20.00 H new ATOM 0 HA THR A 29 15.505 45.391 21.558 1.00 20.00 H new ATOM 0 HB THR A 29 17.970 45.387 21.284 1.00 20.00 H new ATOM 0 HG1 THR A 29 18.922 44.868 23.586 1.00 20.00 H new ATOM 0 HG21 THR A 29 18.384 46.944 23.204 1.00 20.00 H new ATOM 0 HG22 THR A 29 16.826 47.257 22.403 1.00 20.00 H new ATOM 0 HG23 THR A 29 16.870 46.385 23.954 1.00 20.00 H new ATOM 398 N VAL A 30 17.080 42.487 21.062 1.00 20.00 N ATOM 399 CA VAL A 30 17.298 41.366 20.141 1.00 20.00 C ATOM 400 C VAL A 30 17.877 40.168 20.915 1.00 20.00 C ATOM 401 O VAL A 30 18.508 40.349 21.955 1.00 20.00 O ATOM 402 CB VAL A 30 18.208 41.831 18.972 1.00 20.00 C ATOM 403 CG1 VAL A 30 19.677 42.052 19.370 1.00 20.00 C ATOM 404 CG2 VAL A 30 18.142 40.886 17.767 1.00 20.00 C ATOM 0 H VAL A 30 17.661 42.427 21.898 1.00 20.00 H new ATOM 0 HA VAL A 30 16.356 41.036 19.704 1.00 20.00 H new ATOM 0 HB VAL A 30 17.799 42.801 18.689 1.00 20.00 H new ATOM 0 HG11 VAL A 30 20.246 42.375 18.498 1.00 20.00 H new ATOM 0 HG12 VAL A 30 19.733 42.817 20.144 1.00 20.00 H new ATOM 0 HG13 VAL A 30 20.095 41.120 19.750 1.00 20.00 H new ATOM 0 HG21 VAL A 30 18.796 41.257 16.978 1.00 20.00 H new ATOM 0 HG22 VAL A 30 18.465 39.889 18.068 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.118 40.839 17.397 1.00 20.00 H new ATOM 414 N CYS A 31 17.691 38.944 20.397 1.00 20.00 N ATOM 415 CA CYS A 31 18.335 37.729 20.911 1.00 20.00 C ATOM 416 C CYS A 31 19.783 37.636 20.403 1.00 20.00 C ATOM 417 O CYS A 31 20.134 38.266 19.404 1.00 20.00 O ATOM 418 CB CYS A 31 17.531 36.511 20.434 1.00 20.00 C ATOM 419 SG CYS A 31 17.586 35.027 21.477 1.00 20.00 S ATOM 0 H CYS A 31 17.081 38.770 19.599 1.00 20.00 H new ATOM 0 HA CYS A 31 18.357 37.758 22.000 1.00 20.00 H new ATOM 0 HB2 CYS A 31 16.489 36.813 20.329 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.886 36.239 19.440 1.00 20.00 H new ATOM 424 N CYS A 32 20.618 36.818 21.064 1.00 20.00 N ATOM 425 CA CYS A 32 21.996 36.571 20.658 1.00 20.00 C ATOM 426 C CYS A 32 22.450 35.173 21.095 1.00 20.00 C ATOM 427 O CYS A 32 22.491 34.878 22.289 1.00 20.00 O ATOM 428 CB CYS A 32 22.904 37.669 21.239 1.00 20.00 C ATOM 429 SG CYS A 32 24.343 38.025 20.199 1.00 20.00 S ATOM 0 H CYS A 32 20.345 36.308 21.904 1.00 20.00 H new ATOM 0 HA CYS A 32 22.064 36.604 19.571 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.323 38.582 21.369 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.245 37.364 22.229 1.00 20.00 H new ATOM 434 N ASP A 33 22.781 34.323 20.114 1.00 20.00 N ATOM 435 CA ASP A 33 23.274 32.957 20.299 1.00 20.00 C ATOM 436 C ASP A 33 24.700 32.975 20.865 1.00 20.00 C ATOM 437 O ASP A 33 25.665 33.160 20.122 1.00 20.00 O ATOM 438 CB ASP A 33 23.221 32.218 18.956 1.00 20.00 C ATOM 439 CG ASP A 33 23.438 30.704 19.049 1.00 20.00 C ATOM 440 OD1 ASP A 33 24.185 30.245 19.942 1.00 20.00 O ATOM 441 OD2 ASP A 33 22.859 30.013 18.184 1.00 20.00 O ATOM 0 H ASP A 33 22.709 34.582 19.130 1.00 20.00 H new ATOM 0 HA ASP A 33 22.642 32.433 21.016 1.00 20.00 H new ATOM 0 HB2 ASP A 33 22.252 32.405 18.492 1.00 20.00 H new ATOM 0 HB3 ASP A 33 23.978 32.640 18.295 1.00 20.00 H new ATOM 446 N LEU A 34 24.822 32.791 22.185 1.00 20.00 N ATOM 447 CA LEU A 34 26.087 32.854 22.914 1.00 20.00 C ATOM 448 C LEU A 34 26.921 31.569 22.791 1.00 20.00 C ATOM 449 O LEU A 34 28.118 31.597 23.082 1.00 20.00 O ATOM 450 CB LEU A 34 25.815 33.161 24.399 1.00 20.00 C ATOM 451 CG LEU A 34 24.881 34.361 24.660 1.00 20.00 C ATOM 452 CD1 LEU A 34 24.774 34.602 26.170 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.340 35.642 23.948 1.00 20.00 C ATOM 0 H LEU A 34 24.023 32.590 22.787 1.00 20.00 H new ATOM 0 HA LEU A 34 26.674 33.653 22.461 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.381 32.275 24.863 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.767 33.347 24.896 1.00 20.00 H new ATOM 0 HG LEU A 34 23.904 34.111 24.247 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.115 35.449 26.357 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.368 33.713 26.653 1.00 20.00 H new ATOM 0 HD13 LEU A 34 25.763 34.815 26.575 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.644 36.451 24.169 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.336 35.915 24.297 1.00 20.00 H new ATOM 0 HD23 LEU A 34 25.367 35.471 22.872 1.00 20.00 H new ATOM 465 N SER A 35 26.307 30.457 22.358 1.00 20.00 N ATOM 466 CA SER A 35 26.954 29.153 22.233 1.00 20.00 C ATOM 467 C SER A 35 27.953 29.132 21.071 1.00 20.00 C ATOM 468 O SER A 35 28.993 28.488 21.187 1.00 20.00 O ATOM 469 CB SER A 35 25.881 28.076 22.043 1.00 20.00 C ATOM 470 OG SER A 35 26.442 26.778 22.013 1.00 20.00 O ATOM 0 H SER A 35 25.326 30.445 22.080 1.00 20.00 H new ATOM 0 HA SER A 35 27.516 28.952 23.145 1.00 20.00 H new ATOM 0 HB2 SER A 35 25.154 28.140 22.853 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.341 28.260 21.114 1.00 20.00 H new ATOM 0 HG SER A 35 25.729 26.116 21.892 1.00 20.00 H new ATOM 476 N LYS A 36 27.676 29.873 19.988 1.00 20.00 N ATOM 477 CA LYS A 36 28.541 30.005 18.814 1.00 20.00 C ATOM 478 C LYS A 36 29.351 31.311 18.810 1.00 20.00 C ATOM 479 O LYS A 36 29.998 31.628 17.813 1.00 20.00 O ATOM 480 CB LYS A 36 27.732 29.802 17.519 1.00 20.00 C ATOM 481 CG LYS A 36 26.645 30.866 17.304 1.00 20.00 C ATOM 482 CD LYS A 36 26.016 30.740 15.912 1.00 20.00 C ATOM 483 CE LYS A 36 24.951 31.825 15.735 1.00 20.00 C ATOM 484 NZ LYS A 36 24.457 31.893 14.349 1.00 20.00 N ATOM 0 H LYS A 36 26.815 30.413 19.906 1.00 20.00 H new ATOM 0 HA LYS A 36 29.286 29.211 18.867 1.00 20.00 H new ATOM 0 HB2 LYS A 36 28.414 29.813 16.668 1.00 20.00 H new ATOM 0 HB3 LYS A 36 27.266 28.817 17.541 1.00 20.00 H new ATOM 0 HG2 LYS A 36 25.873 30.760 18.066 1.00 20.00 H new ATOM 0 HG3 LYS A 36 27.076 31.860 17.423 1.00 20.00 H new ATOM 0 HD2 LYS A 36 26.783 30.839 15.144 1.00 20.00 H new ATOM 0 HD3 LYS A 36 25.569 29.753 15.791 1.00 20.00 H new ATOM 0 HE2 LYS A 36 24.117 31.627 16.408 1.00 20.00 H new ATOM 0 HE3 LYS A 36 25.367 32.791 16.019 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 24.296 32.886 14.086 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 25.162 31.475 13.708 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 23.564 31.366 14.273 1.00 20.00 H new ATOM 577 N LYS A 43 35.958 30.194 32.580 1.00 20.00 N ATOM 578 CA LYS A 43 36.761 31.335 33.030 1.00 20.00 C ATOM 579 C LYS A 43 37.616 31.934 31.905 1.00 20.00 C ATOM 580 O LYS A 43 37.938 33.120 31.966 1.00 20.00 O ATOM 581 CB LYS A 43 37.680 30.894 34.187 1.00 20.00 C ATOM 582 CG LYS A 43 36.958 30.630 35.520 1.00 20.00 C ATOM 583 CD LYS A 43 36.417 31.912 36.167 1.00 20.00 C ATOM 584 CE LYS A 43 35.918 31.669 37.596 1.00 20.00 C ATOM 585 NZ LYS A 43 34.708 30.827 37.630 1.00 20.00 N ATOM 0 HA LYS A 43 36.067 32.107 33.362 1.00 20.00 H new ATOM 0 HB2 LYS A 43 38.206 29.987 33.889 1.00 20.00 H new ATOM 0 HB3 LYS A 43 38.436 31.663 34.345 1.00 20.00 H new ATOM 0 HG2 LYS A 43 36.133 29.938 35.350 1.00 20.00 H new ATOM 0 HG3 LYS A 43 37.646 30.142 36.210 1.00 20.00 H new ATOM 0 HD2 LYS A 43 37.201 32.669 36.181 1.00 20.00 H new ATOM 0 HD3 LYS A 43 35.602 32.308 35.561 1.00 20.00 H new ATOM 0 HE2 LYS A 43 36.707 31.192 38.178 1.00 20.00 H new ATOM 0 HE3 LYS A 43 35.705 32.626 38.072 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 34.408 30.690 38.616 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 33.946 31.293 37.098 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 34.916 29.903 37.200 1.00 20.00 H new ATOM 599 N GLY A 44 37.958 31.137 30.884 1.00 20.00 N ATOM 600 CA GLY A 44 38.658 31.581 29.686 1.00 20.00 C ATOM 601 C GLY A 44 39.198 30.421 28.846 1.00 20.00 C ATOM 602 O GLY A 44 39.173 30.505 27.621 1.00 20.00 O ATOM 0 H GLY A 44 37.746 30.139 30.875 1.00 20.00 H new ATOM 0 HA2 GLY A 44 37.981 32.179 29.077 1.00 20.00 H new ATOM 0 HA3 GLY A 44 39.485 32.230 29.974 1.00 20.00 H new ATOM 606 N GLY A 45 39.645 29.334 29.492 1.00 20.00 N ATOM 607 CA GLY A 45 40.140 28.116 28.852 1.00 20.00 C ATOM 608 C GLY A 45 41.532 28.261 28.230 1.00 20.00 C ATOM 609 O GLY A 45 42.041 29.370 28.069 1.00 20.00 O ATOM 0 H GLY A 45 39.671 29.282 30.510 1.00 20.00 H new ATOM 0 HA2 GLY A 45 40.165 27.314 29.590 1.00 20.00 H new ATOM 0 HA3 GLY A 45 39.436 27.814 28.076 1.00 20.00 H new ATOM 613 N GLU A 46 42.139 27.120 27.879 1.00 20.00 N ATOM 614 CA GLU A 46 43.521 27.019 27.424 1.00 20.00 C ATOM 615 C GLU A 46 43.744 25.840 26.463 1.00 20.00 C ATOM 616 O GLU A 46 42.893 24.956 26.332 1.00 20.00 O ATOM 617 CB GLU A 46 44.426 26.902 28.659 1.00 20.00 C ATOM 618 CG GLU A 46 44.105 25.680 29.539 1.00 20.00 C ATOM 619 CD GLU A 46 45.034 25.544 30.748 1.00 20.00 C ATOM 620 OE1 GLU A 46 44.537 25.080 31.800 1.00 20.00 O ATOM 621 OE2 GLU A 46 46.237 25.860 30.613 1.00 20.00 O ATOM 0 H GLU A 46 41.663 26.218 27.907 1.00 20.00 H new ATOM 0 HA GLU A 46 43.768 27.915 26.855 1.00 20.00 H new ATOM 0 HB2 GLU A 46 45.465 26.844 28.335 1.00 20.00 H new ATOM 0 HB3 GLU A 46 44.329 27.807 29.258 1.00 20.00 H new ATOM 0 HG2 GLU A 46 43.075 25.752 29.887 1.00 20.00 H new ATOM 0 HG3 GLU A 46 44.174 24.776 28.933 1.00 20.00 H new ATOM 628 N CYS A 47 44.916 25.842 25.806 1.00 20.00 N ATOM 629 CA CYS A 47 45.341 24.841 24.826 1.00 20.00 C ATOM 630 C CYS A 47 46.032 23.652 25.521 1.00 20.00 C ATOM 631 O CYS A 47 47.225 23.412 25.330 1.00 20.00 O ATOM 632 CB CYS A 47 46.247 25.508 23.779 1.00 20.00 C ATOM 633 SG CYS A 47 45.405 26.682 22.684 1.00 20.00 S ATOM 0 H CYS A 47 45.616 26.570 25.952 1.00 20.00 H new ATOM 0 HA CYS A 47 44.468 24.437 24.313 1.00 20.00 H new ATOM 0 HB2 CYS A 47 47.054 26.028 24.295 1.00 20.00 H new ATOM 0 HB3 CYS A 47 46.708 24.731 23.170 1.00 20.00 H new ATOM 638 N ASN A 48 45.263 22.898 26.318 1.00 20.00 N ATOM 639 CA ASN A 48 45.698 21.648 26.938 1.00 20.00 C ATOM 640 C ASN A 48 45.821 20.527 25.898 1.00 20.00 C ATOM 641 O ASN A 48 45.199 20.600 24.844 1.00 20.00 O ATOM 642 CB ASN A 48 44.721 21.280 28.071 1.00 20.00 C ATOM 643 CG ASN A 48 45.131 21.853 29.435 1.00 20.00 C ATOM 644 OD1 ASN A 48 44.682 21.374 30.472 1.00 20.00 O ATOM 645 ND2 ASN A 48 45.974 22.890 29.463 1.00 20.00 N ATOM 0 H ASN A 48 44.302 23.149 26.552 1.00 20.00 H new ATOM 0 HA ASN A 48 46.692 21.781 27.366 1.00 20.00 H new ATOM 0 HB2 ASN A 48 43.726 21.644 27.816 1.00 20.00 H new ATOM 0 HB3 ASN A 48 44.654 20.195 28.146 1.00 20.00 H new ATOM 0 HD21 ASN A 48 46.254 23.296 30.356 1.00 20.00 H new ATOM 0 HD22 ASN A 48 46.337 23.275 28.591 1.00 20.00 H new ATOM 652 N PRO A 49 46.602 19.470 26.179 1.00 20.00 N ATOM 653 CA PRO A 49 46.920 18.410 25.224 1.00 20.00 C ATOM 654 C PRO A 49 45.691 17.562 24.873 1.00 20.00 C ATOM 655 O PRO A 49 44.762 17.446 25.670 1.00 20.00 O ATOM 656 CB PRO A 49 48.009 17.575 25.903 1.00 20.00 C ATOM 657 CG PRO A 49 47.771 17.801 27.389 1.00 20.00 C ATOM 658 CD PRO A 49 47.297 19.248 27.435 1.00 20.00 C ATOM 0 HA PRO A 49 47.257 18.819 24.272 1.00 20.00 H new ATOM 0 HB2 PRO A 49 47.925 16.520 25.641 1.00 20.00 H new ATOM 0 HB3 PRO A 49 49.006 17.900 25.604 1.00 20.00 H new ATOM 0 HG2 PRO A 49 47.022 17.117 27.788 1.00 20.00 H new ATOM 0 HG3 PRO A 49 48.680 17.654 27.972 1.00 20.00 H new ATOM 0 HD2 PRO A 49 46.635 19.417 28.285 1.00 20.00 H new ATOM 0 HD3 PRO A 49 48.138 19.933 27.544 1.00 20.00 H new ATOM 666 N LEU A 50 45.719 16.916 23.700 1.00 20.00 N ATOM 667 CA LEU A 50 44.701 15.964 23.251 1.00 20.00 C ATOM 668 C LEU A 50 44.606 14.720 24.143 1.00 20.00 C ATOM 669 O LEU A 50 43.574 14.052 24.133 1.00 20.00 O ATOM 670 CB LEU A 50 45.000 15.534 21.804 1.00 20.00 C ATOM 671 CG LEU A 50 44.620 16.591 20.758 1.00 20.00 C ATOM 672 CD1 LEU A 50 45.236 16.233 19.399 1.00 20.00 C ATOM 673 CD2 LEU A 50 43.099 16.694 20.597 1.00 20.00 C ATOM 0 H LEU A 50 46.470 17.046 23.022 1.00 20.00 H new ATOM 0 HA LEU A 50 43.740 16.475 23.311 1.00 20.00 H new ATOM 0 HB2 LEU A 50 46.063 15.310 21.713 1.00 20.00 H new ATOM 0 HB3 LEU A 50 44.460 14.612 21.589 1.00 20.00 H new ATOM 0 HG LEU A 50 45.005 17.550 21.105 1.00 20.00 H new ATOM 0 HD11 LEU A 50 44.960 16.989 18.664 1.00 20.00 H new ATOM 0 HD12 LEU A 50 46.321 16.194 19.490 1.00 20.00 H new ATOM 0 HD13 LEU A 50 44.864 15.261 19.076 1.00 20.00 H new ATOM 0 HD21 LEU A 50 42.863 17.451 19.849 1.00 20.00 H new ATOM 0 HD22 LEU A 50 42.701 15.731 20.277 1.00 20.00 H new ATOM 0 HD23 LEU A 50 42.650 16.973 21.550 1.00 20.00 H new ATOM 685 N ASP A 51 45.658 14.420 24.913 1.00 20.00 N ATOM 686 CA ASP A 51 45.721 13.332 25.882 1.00 20.00 C ATOM 687 C ASP A 51 44.862 13.592 27.128 1.00 20.00 C ATOM 688 O ASP A 51 44.595 12.652 27.873 1.00 20.00 O ATOM 689 CB ASP A 51 47.185 13.119 26.293 1.00 20.00 C ATOM 690 CG ASP A 51 48.042 12.680 25.107 1.00 20.00 C ATOM 691 OD1 ASP A 51 48.786 13.550 24.585 1.00 20.00 O ATOM 692 OD2 ASP A 51 47.948 11.495 24.744 1.00 20.00 O ATOM 0 H ASP A 51 46.525 14.956 24.872 1.00 20.00 H new ATOM 0 HA ASP A 51 45.317 12.439 25.405 1.00 20.00 H new ATOM 0 HB2 ASP A 51 47.585 14.043 26.710 1.00 20.00 H new ATOM 0 HB3 ASP A 51 47.237 12.366 27.079 1.00 20.00 H new ATOM 697 N ARG A 52 44.418 14.837 27.361 1.00 20.00 N ATOM 698 CA ARG A 52 43.568 15.201 28.489 1.00 20.00 C ATOM 699 C ARG A 52 42.107 14.852 28.185 1.00 20.00 C ATOM 700 O ARG A 52 41.629 15.073 27.069 1.00 20.00 O ATOM 701 CB ARG A 52 43.738 16.695 28.789 1.00 20.00 C ATOM 702 CG ARG A 52 43.095 17.088 30.129 1.00 20.00 C ATOM 703 CD ARG A 52 43.747 18.343 30.733 1.00 20.00 C ATOM 704 NE ARG A 52 44.479 18.052 31.980 1.00 20.00 N ATOM 705 CZ ARG A 52 45.652 17.408 32.103 1.00 20.00 C ATOM 706 NH1 ARG A 52 46.342 16.977 31.045 1.00 20.00 N ATOM 707 NH2 ARG A 52 46.144 17.177 33.319 1.00 20.00 N ATOM 0 H ARG A 52 44.647 15.627 26.757 1.00 20.00 H new ATOM 0 HA ARG A 52 43.864 14.635 29.372 1.00 20.00 H new ATOM 0 HB2 ARG A 52 44.799 16.943 28.809 1.00 20.00 H new ATOM 0 HB3 ARG A 52 43.290 17.280 27.986 1.00 20.00 H new ATOM 0 HG2 ARG A 52 42.030 17.268 29.982 1.00 20.00 H new ATOM 0 HG3 ARG A 52 43.184 16.259 30.831 1.00 20.00 H new ATOM 0 HD2 ARG A 52 44.432 18.779 30.006 1.00 20.00 H new ATOM 0 HD3 ARG A 52 42.977 19.089 30.932 1.00 20.00 H new ATOM 0 HE ARG A 52 44.047 18.376 32.845 1.00 20.00 H new ATOM 0 HH11 ARG A 52 45.982 17.133 30.103 1.00 20.00 H new ATOM 0 HH12 ARG A 52 47.229 16.492 31.178 1.00 20.00 H new ATOM 0 HH21 ARG A 52 45.631 17.488 34.144 1.00 20.00 H new ATOM 0 HH22 ARG A 52 47.033 16.689 33.425 1.00 20.00 H new ATOM 721 N GLN A 53 41.399 14.333 29.198 1.00 20.00 N ATOM 722 CA GLN A 53 39.982 13.998 29.107 1.00 20.00 C ATOM 723 C GLN A 53 39.159 15.279 29.287 1.00 20.00 C ATOM 724 O GLN A 53 39.002 15.779 30.405 1.00 20.00 O ATOM 725 CB GLN A 53 39.594 12.924 30.132 1.00 20.00 C ATOM 726 CG GLN A 53 40.412 11.634 29.972 1.00 20.00 C ATOM 727 CD GLN A 53 39.915 10.530 30.907 1.00 20.00 C ATOM 728 OE1 GLN A 53 39.772 10.733 32.110 1.00 20.00 O ATOM 729 NE2 GLN A 53 39.661 9.337 30.372 1.00 20.00 N ATOM 0 H GLN A 53 41.805 14.134 30.112 1.00 20.00 H new ATOM 0 HA GLN A 53 39.772 13.575 28.125 1.00 20.00 H new ATOM 0 HB2 GLN A 53 39.737 13.318 31.138 1.00 20.00 H new ATOM 0 HB3 GLN A 53 38.534 12.693 30.028 1.00 20.00 H new ATOM 0 HG2 GLN A 53 40.352 11.291 28.939 1.00 20.00 H new ATOM 0 HG3 GLN A 53 41.462 11.841 30.179 1.00 20.00 H new ATOM 0 HE21 GLN A 53 39.786 9.190 29.370 1.00 20.00 H new ATOM 0 HE22 GLN A 53 39.341 8.570 30.964 1.00 20.00 H new ATOM 738 N CYS A 54 38.672 15.815 28.163 1.00 20.00 N ATOM 739 CA CYS A 54 37.855 17.025 28.095 1.00 20.00 C ATOM 740 C CYS A 54 37.021 17.025 26.801 1.00 20.00 C ATOM 741 O CYS A 54 37.179 16.147 25.951 1.00 20.00 O ATOM 742 CB CYS A 54 38.775 18.262 28.189 1.00 20.00 C ATOM 743 SG CYS A 54 38.160 19.632 29.196 1.00 20.00 S ATOM 0 H CYS A 54 38.843 15.402 27.246 1.00 20.00 H new ATOM 0 HA CYS A 54 37.156 17.056 28.931 1.00 20.00 H new ATOM 0 HB2 CYS A 54 39.737 17.945 28.591 1.00 20.00 H new ATOM 0 HB3 CYS A 54 38.958 18.632 27.180 1.00 20.00 H new ATOM 748 N LYS A 55 36.146 18.026 26.632 1.00 20.00 N ATOM 749 CA LYS A 55 35.423 18.272 25.380 1.00 20.00 C ATOM 750 C LYS A 55 36.365 18.943 24.358 1.00 20.00 C ATOM 751 O LYS A 55 37.376 19.543 24.731 1.00 20.00 O ATOM 752 CB LYS A 55 34.153 19.088 25.698 1.00 20.00 C ATOM 753 CG LYS A 55 33.325 19.482 24.455 1.00 20.00 C ATOM 754 CD LYS A 55 31.951 20.084 24.802 1.00 20.00 C ATOM 755 CE LYS A 55 30.955 18.972 25.215 1.00 20.00 C ATOM 756 NZ LYS A 55 29.601 19.522 25.445 1.00 20.00 N ATOM 0 H LYS A 55 35.919 18.694 27.369 1.00 20.00 H new ATOM 0 HA LYS A 55 35.096 17.342 24.915 1.00 20.00 H new ATOM 0 HB2 LYS A 55 33.522 18.509 26.372 1.00 20.00 H new ATOM 0 HB3 LYS A 55 34.441 19.994 26.231 1.00 20.00 H new ATOM 0 HG2 LYS A 55 33.891 20.203 23.864 1.00 20.00 H new ATOM 0 HG3 LYS A 55 33.180 18.601 23.830 1.00 20.00 H new ATOM 0 HD2 LYS A 55 32.058 20.803 25.614 1.00 20.00 H new ATOM 0 HD3 LYS A 55 31.560 20.629 23.943 1.00 20.00 H new ATOM 0 HE2 LYS A 55 30.913 18.211 24.436 1.00 20.00 H new ATOM 0 HE3 LYS A 55 31.310 18.482 26.122 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 28.956 18.754 25.720 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 29.639 20.231 26.205 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 29.255 19.968 24.572 1.00 20.00 H new ATOM 770 N GLU A 56 36.022 18.847 23.065 1.00 20.00 N ATOM 771 CA GLU A 56 36.699 19.543 21.973 1.00 20.00 C ATOM 772 C GLU A 56 35.689 20.360 21.163 1.00 20.00 C ATOM 773 O GLU A 56 34.553 19.941 20.933 1.00 20.00 O ATOM 774 CB GLU A 56 37.436 18.524 21.084 1.00 20.00 C ATOM 775 CG GLU A 56 38.374 19.184 20.064 1.00 20.00 C ATOM 776 CD GLU A 56 39.092 18.149 19.204 1.00 20.00 C ATOM 777 OE1 GLU A 56 40.093 17.583 19.696 1.00 20.00 O ATOM 778 OE2 GLU A 56 38.625 17.927 18.065 1.00 20.00 O ATOM 0 H GLU A 56 35.246 18.267 22.747 1.00 20.00 H new ATOM 0 HA GLU A 56 37.436 20.234 22.383 1.00 20.00 H new ATOM 0 HB2 GLU A 56 38.013 17.849 21.716 1.00 20.00 H new ATOM 0 HB3 GLU A 56 36.703 17.915 20.554 1.00 20.00 H new ATOM 0 HG2 GLU A 56 37.801 19.855 19.424 1.00 20.00 H new ATOM 0 HG3 GLU A 56 39.109 19.795 20.588 1.00 20.00 H new ATOM 785 N LEU A 57 36.163 21.522 20.704 1.00 20.00 N ATOM 786 CA LEU A 57 35.465 22.498 19.886 1.00 20.00 C ATOM 787 C LEU A 57 36.343 22.916 18.692 1.00 20.00 C ATOM 788 O LEU A 57 37.523 22.572 18.619 1.00 20.00 O ATOM 789 CB LEU A 57 35.011 23.667 20.785 1.00 20.00 C ATOM 790 CG LEU A 57 36.051 24.260 21.754 1.00 20.00 C ATOM 791 CD1 LEU A 57 37.291 24.816 21.046 1.00 20.00 C ATOM 792 CD2 LEU A 57 35.403 25.385 22.563 1.00 20.00 C ATOM 0 H LEU A 57 37.116 21.820 20.914 1.00 20.00 H new ATOM 0 HA LEU A 57 34.564 22.073 19.445 1.00 20.00 H new ATOM 0 HB2 LEU A 57 34.655 24.470 20.140 1.00 20.00 H new ATOM 0 HB3 LEU A 57 34.157 23.329 21.372 1.00 20.00 H new ATOM 0 HG LEU A 57 36.382 23.444 22.397 1.00 20.00 H new ATOM 0 HD11 LEU A 57 37.983 25.218 21.786 1.00 20.00 H new ATOM 0 HD12 LEU A 57 37.780 24.017 20.488 1.00 20.00 H new ATOM 0 HD13 LEU A 57 36.993 25.608 20.359 1.00 20.00 H new ATOM 0 HD21 LEU A 57 36.136 25.808 23.250 1.00 20.00 H new ATOM 0 HD22 LEU A 57 35.050 26.163 21.886 1.00 20.00 H new ATOM 0 HD23 LEU A 57 34.561 24.987 23.130 1.00 20.00 H new ATOM 804 N GLN A 58 35.755 23.665 17.748 1.00 20.00 N ATOM 805 CA GLN A 58 36.400 24.202 16.548 1.00 20.00 C ATOM 806 C GLN A 58 36.685 25.708 16.707 1.00 20.00 C ATOM 807 O GLN A 58 37.292 26.299 15.819 1.00 20.00 O ATOM 808 CB GLN A 58 35.518 23.925 15.310 1.00 20.00 C ATOM 809 CG GLN A 58 35.504 22.463 14.847 1.00 20.00 C ATOM 810 CD GLN A 58 34.891 21.489 15.851 1.00 20.00 C ATOM 811 OE1 GLN A 58 35.587 20.658 16.429 1.00 20.00 O ATOM 812 NE2 GLN A 58 33.580 21.580 16.077 1.00 20.00 N ATOM 0 H GLN A 58 34.770 23.923 17.806 1.00 20.00 H new ATOM 0 HA GLN A 58 37.358 23.702 16.407 1.00 20.00 H new ATOM 0 HB2 GLN A 58 34.496 24.231 15.533 1.00 20.00 H new ATOM 0 HB3 GLN A 58 35.865 24.549 14.487 1.00 20.00 H new ATOM 0 HG2 GLN A 58 34.950 22.397 13.910 1.00 20.00 H new ATOM 0 HG3 GLN A 58 36.527 22.152 14.635 1.00 20.00 H new ATOM 0 HE21 GLN A 58 33.025 22.279 15.584 1.00 20.00 H new ATOM 0 HE22 GLN A 58 33.132 20.951 16.743 1.00 20.00 H new ATOM 821 N ALA A 59 36.256 26.324 17.818 1.00 20.00 N ATOM 822 CA ALA A 59 36.389 27.735 18.117 1.00 20.00 C ATOM 823 C ALA A 59 37.806 28.082 18.568 1.00 20.00 C ATOM 824 O ALA A 59 38.598 28.534 17.753 1.00 20.00 O ATOM 825 CB ALA A 59 35.319 28.079 19.163 1.00 20.00 C ATOM 0 H ALA A 59 35.784 25.814 18.564 1.00 20.00 H new ATOM 0 HA ALA A 59 36.228 28.340 17.225 1.00 20.00 H new ATOM 0 HB1 ALA A 59 35.385 29.137 19.417 1.00 20.00 H new ATOM 0 HB2 ALA A 59 34.331 27.864 18.757 1.00 20.00 H new ATOM 0 HB3 ALA A 59 35.481 27.480 20.059 1.00 20.00 H new ATOM 831 N GLU A 60 38.122 27.868 19.847 1.00 20.00 N ATOM 832 CA GLU A 60 39.373 28.271 20.482 1.00 20.00 C ATOM 833 C GLU A 60 40.550 27.372 20.085 1.00 20.00 C ATOM 834 O GLU A 60 41.679 27.850 19.976 1.00 20.00 O ATOM 835 CB GLU A 60 39.237 28.239 22.012 1.00 20.00 C ATOM 836 CG GLU A 60 38.033 29.040 22.526 1.00 20.00 C ATOM 837 CD GLU A 60 37.987 29.160 24.050 1.00 20.00 C ATOM 838 OE1 GLU A 60 36.854 29.259 24.571 1.00 20.00 O ATOM 839 OE2 GLU A 60 39.067 29.193 24.681 1.00 20.00 O ATOM 0 H GLU A 60 37.489 27.392 20.490 1.00 20.00 H new ATOM 0 HA GLU A 60 39.577 29.284 20.136 1.00 20.00 H new ATOM 0 HB2 GLU A 60 39.144 27.204 22.341 1.00 20.00 H new ATOM 0 HB3 GLU A 60 40.148 28.636 22.460 1.00 20.00 H new ATOM 0 HG2 GLU A 60 38.059 30.039 22.091 1.00 20.00 H new ATOM 0 HG3 GLU A 60 37.115 28.565 22.179 1.00 20.00 H new ATOM 846 N SER A 61 40.280 26.081 19.844 1.00 20.00 N ATOM 847 CA SER A 61 41.280 25.080 19.484 1.00 20.00 C ATOM 848 C SER A 61 41.926 25.378 18.122 1.00 20.00 C ATOM 849 O SER A 61 43.063 24.972 17.906 1.00 20.00 O ATOM 850 CB SER A 61 40.630 23.693 19.499 1.00 20.00 C ATOM 851 OG SER A 61 41.601 22.673 19.471 1.00 20.00 O ATOM 0 H SER A 61 39.335 25.700 19.897 1.00 20.00 H new ATOM 0 HA SER A 61 42.084 25.110 20.219 1.00 20.00 H new ATOM 0 HB2 SER A 61 40.014 23.587 20.392 1.00 20.00 H new ATOM 0 HB3 SER A 61 39.967 23.590 18.640 1.00 20.00 H new ATOM 0 HG SER A 61 42.465 23.051 19.206 1.00 20.00 H new ATOM 857 N ALA A 62 41.246 26.104 17.219 1.00 20.00 N ATOM 858 CA ALA A 62 41.760 26.474 15.904 1.00 20.00 C ATOM 859 C ALA A 62 42.906 27.502 15.955 1.00 20.00 C ATOM 860 O ALA A 62 43.672 27.576 14.996 1.00 20.00 O ATOM 861 CB ALA A 62 40.592 26.985 15.054 1.00 20.00 C ATOM 0 H ALA A 62 40.304 26.454 17.394 1.00 20.00 H new ATOM 0 HA ALA A 62 42.201 25.585 15.453 1.00 20.00 H new ATOM 0 HB1 ALA A 62 40.957 27.267 14.066 1.00 20.00 H new ATOM 0 HB2 ALA A 62 39.844 26.199 14.954 1.00 20.00 H new ATOM 0 HB3 ALA A 62 40.143 27.853 15.536 1.00 20.00 H new ATOM 867 N SER A 63 43.060 28.250 17.060 1.00 20.00 N ATOM 868 CA SER A 63 44.151 29.202 17.285 1.00 20.00 C ATOM 869 C SER A 63 45.481 28.464 17.400 1.00 20.00 C ATOM 870 O SER A 63 46.406 28.744 16.641 1.00 20.00 O ATOM 871 CB SER A 63 43.907 30.001 18.571 1.00 20.00 C ATOM 872 OG SER A 63 42.737 30.783 18.473 1.00 20.00 O ATOM 0 H SER A 63 42.407 28.205 17.842 1.00 20.00 H new ATOM 0 HA SER A 63 44.186 29.885 16.437 1.00 20.00 H new ATOM 0 HB2 SER A 63 43.821 29.318 19.416 1.00 20.00 H new ATOM 0 HB3 SER A 63 44.763 30.646 18.769 1.00 20.00 H new ATOM 0 HG SER A 63 42.605 31.280 19.307 1.00 20.00 H new ATOM 878 N CYS A 64 45.562 27.511 18.336 1.00 20.00 N ATOM 879 CA CYS A 64 46.706 26.626 18.495 1.00 20.00 C ATOM 880 C CYS A 64 46.809 25.597 17.341 1.00 20.00 C ATOM 881 O CYS A 64 47.905 25.113 17.075 1.00 20.00 O ATOM 882 CB CYS A 64 46.618 25.997 19.900 1.00 20.00 C ATOM 883 SG CYS A 64 46.769 27.208 21.252 1.00 20.00 S ATOM 0 H CYS A 64 44.818 27.336 19.012 1.00 20.00 H new ATOM 0 HA CYS A 64 47.640 27.184 18.426 1.00 20.00 H new ATOM 0 HB2 CYS A 64 45.666 25.475 19.996 1.00 20.00 H new ATOM 0 HB3 CYS A 64 47.404 25.249 20.004 1.00 20.00 H new ATOM 888 N GLY A 65 45.711 25.304 16.621 1.00 20.00 N ATOM 889 CA GLY A 65 45.646 24.484 15.406 1.00 20.00 C ATOM 890 C GLY A 65 45.278 23.026 15.695 1.00 20.00 C ATOM 891 O GLY A 65 44.090 22.705 15.770 1.00 20.00 O ATOM 0 H GLY A 65 44.793 25.656 16.891 1.00 20.00 H new ATOM 0 HA2 GLY A 65 44.911 24.911 14.723 1.00 20.00 H new ATOM 0 HA3 GLY A 65 46.610 24.517 14.898 1.00 20.00 H new ATOM 895 N LYS A 66 46.294 22.162 15.846 1.00 20.00 N ATOM 896 CA LYS A 66 46.174 20.764 16.265 1.00 20.00 C ATOM 897 C LYS A 66 47.277 20.371 17.260 1.00 20.00 C ATOM 898 O LYS A 66 48.279 21.077 17.399 1.00 20.00 O ATOM 899 CB LYS A 66 46.177 19.841 15.034 1.00 20.00 C ATOM 900 CG LYS A 66 47.506 19.820 14.254 1.00 20.00 C ATOM 901 CD LYS A 66 47.644 18.565 13.385 1.00 20.00 C ATOM 902 CE LYS A 66 46.559 18.461 12.318 1.00 20.00 C ATOM 903 NZ LYS A 66 46.707 17.229 11.528 1.00 20.00 N ATOM 0 H LYS A 66 47.261 22.434 15.671 1.00 20.00 H new ATOM 0 HA LYS A 66 45.223 20.647 16.785 1.00 20.00 H new ATOM 0 HB2 LYS A 66 45.943 18.826 15.356 1.00 20.00 H new ATOM 0 HB3 LYS A 66 45.379 20.153 14.360 1.00 20.00 H new ATOM 0 HG2 LYS A 66 47.570 20.706 13.623 1.00 20.00 H new ATOM 0 HG3 LYS A 66 48.339 19.868 14.956 1.00 20.00 H new ATOM 0 HD2 LYS A 66 48.622 18.568 12.903 1.00 20.00 H new ATOM 0 HD3 LYS A 66 47.606 17.682 14.022 1.00 20.00 H new ATOM 0 HE2 LYS A 66 45.577 18.477 12.791 1.00 20.00 H new ATOM 0 HE3 LYS A 66 46.609 19.327 11.659 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 45.956 17.185 10.810 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 47.635 17.227 11.059 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 46.635 16.403 12.156 1.00 20.00 H new ATOM 917 N GLY A 67 47.069 19.239 17.950 1.00 20.00 N ATOM 918 CA GLY A 67 47.875 18.790 19.085 1.00 20.00 C ATOM 919 C GLY A 67 47.246 19.146 20.438 1.00 20.00 C ATOM 920 O GLY A 67 47.621 18.541 21.439 1.00 20.00 O ATOM 0 H GLY A 67 46.311 18.595 17.723 1.00 20.00 H new ATOM 0 HA2 GLY A 67 48.009 17.710 19.025 1.00 20.00 H new ATOM 0 HA3 GLY A 67 48.866 19.239 19.021 1.00 20.00 H new ATOM 924 N GLN A 68 46.282 20.079 20.462 1.00 20.00 N ATOM 925 CA GLN A 68 45.578 20.551 21.645 1.00 20.00 C ATOM 926 C GLN A 68 44.059 20.356 21.539 1.00 20.00 C ATOM 927 O GLN A 68 43.532 19.924 20.515 1.00 20.00 O ATOM 928 CB GLN A 68 45.922 22.038 21.895 1.00 20.00 C ATOM 929 CG GLN A 68 45.136 23.027 21.021 1.00 20.00 C ATOM 930 CD GLN A 68 45.364 22.807 19.520 1.00 20.00 C ATOM 931 OE1 GLN A 68 44.428 22.494 18.797 1.00 20.00 O ATOM 932 NE2 GLN A 68 46.604 22.908 19.046 1.00 20.00 N ATOM 0 H GLN A 68 45.963 20.542 19.611 1.00 20.00 H new ATOM 0 HA GLN A 68 45.911 19.951 22.492 1.00 20.00 H new ATOM 0 HB2 GLN A 68 45.735 22.270 22.943 1.00 20.00 H new ATOM 0 HB3 GLN A 68 46.988 22.186 21.721 1.00 20.00 H new ATOM 0 HG2 GLN A 68 44.072 22.932 21.240 1.00 20.00 H new ATOM 0 HG3 GLN A 68 45.425 24.045 21.282 1.00 20.00 H new ATOM 0 HE21 GLN A 68 47.368 23.171 19.669 1.00 20.00 H new ATOM 0 HE22 GLN A 68 46.790 22.723 18.060 1.00 20.00 H new ATOM 941 N LYS A 69 43.371 20.747 22.618 1.00 20.00 N ATOM 942 CA LYS A 69 41.928 20.906 22.769 1.00 20.00 C ATOM 943 C LYS A 69 41.660 22.007 23.804 1.00 20.00 C ATOM 944 O LYS A 69 42.505 22.269 24.663 1.00 20.00 O ATOM 945 CB LYS A 69 41.303 19.558 23.188 1.00 20.00 C ATOM 946 CG LYS A 69 41.889 18.993 24.503 1.00 20.00 C ATOM 947 CD LYS A 69 41.465 17.568 24.844 1.00 20.00 C ATOM 948 CE LYS A 69 39.962 17.392 25.045 1.00 20.00 C ATOM 949 NZ LYS A 69 39.284 16.952 23.814 1.00 20.00 N ATOM 0 H LYS A 69 43.858 20.980 23.483 1.00 20.00 H new ATOM 0 HA LYS A 69 41.470 21.202 21.826 1.00 20.00 H new ATOM 0 HB2 LYS A 69 40.227 19.685 23.303 1.00 20.00 H new ATOM 0 HB3 LYS A 69 41.454 18.832 22.390 1.00 20.00 H new ATOM 0 HG2 LYS A 69 42.977 19.026 24.441 1.00 20.00 H new ATOM 0 HG3 LYS A 69 41.596 19.648 25.323 1.00 20.00 H new ATOM 0 HD2 LYS A 69 41.794 16.903 24.046 1.00 20.00 H new ATOM 0 HD3 LYS A 69 41.980 17.255 25.752 1.00 20.00 H new ATOM 0 HE2 LYS A 69 39.786 16.662 25.835 1.00 20.00 H new ATOM 0 HE3 LYS A 69 39.529 18.335 25.379 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 38.261 17.119 23.902 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 39.654 17.488 23.003 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 39.457 15.937 23.666 1.00 20.00 H new ATOM 963 N CYS A 70 40.482 22.639 23.742 1.00 20.00 N ATOM 964 CA CYS A 70 40.054 23.581 24.770 1.00 20.00 C ATOM 965 C CYS A 70 39.650 22.814 26.034 1.00 20.00 C ATOM 966 O CYS A 70 38.920 21.825 25.955 1.00 20.00 O ATOM 967 CB CYS A 70 38.917 24.465 24.252 1.00 20.00 C ATOM 968 SG CYS A 70 38.459 25.828 25.366 1.00 20.00 S ATOM 0 H CYS A 70 39.810 22.511 22.986 1.00 20.00 H new ATOM 0 HA CYS A 70 40.883 24.242 25.024 1.00 20.00 H new ATOM 0 HB2 CYS A 70 39.207 24.882 23.288 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.039 23.843 24.079 1.00 20.00 H new ATOM 0 HG CYS A 70 37.492 26.516 24.836 1.00 20.00 H new ATOM 973 N CYS A 71 40.136 23.271 27.197 1.00 20.00 N ATOM 974 CA CYS A 71 39.756 22.761 28.517 1.00 20.00 C ATOM 975 C CYS A 71 40.001 23.829 29.593 1.00 20.00 C ATOM 976 O CYS A 71 40.739 24.784 29.354 1.00 20.00 O ATOM 977 CB CYS A 71 40.565 21.485 28.802 1.00 20.00 C ATOM 978 SG CYS A 71 39.852 20.389 30.057 1.00 20.00 S ATOM 0 H CYS A 71 40.822 24.025 27.244 1.00 20.00 H new ATOM 0 HA CYS A 71 38.693 22.521 28.534 1.00 20.00 H new ATOM 0 HB2 CYS A 71 40.673 20.926 27.872 1.00 20.00 H new ATOM 0 HB3 CYS A 71 41.568 21.772 29.119 1.00 20.00 H new ATOM 983 N VAL A 72 39.397 23.653 30.775 1.00 20.00 N ATOM 984 CA VAL A 72 39.568 24.523 31.942 1.00 20.00 C ATOM 985 C VAL A 72 39.293 23.744 33.244 1.00 20.00 C ATOM 986 O VAL A 72 38.680 22.672 33.213 1.00 20.00 O ATOM 987 CB VAL A 72 38.659 25.771 31.784 1.00 20.00 C ATOM 988 CG1 VAL A 72 37.193 25.504 32.142 1.00 20.00 C ATOM 989 CG2 VAL A 72 39.167 26.980 32.578 1.00 20.00 C ATOM 0 H VAL A 72 38.757 22.878 30.949 1.00 20.00 H new ATOM 0 HA VAL A 72 40.600 24.868 32.005 1.00 20.00 H new ATOM 0 HB VAL A 72 38.708 26.007 30.721 1.00 20.00 H new ATOM 0 HG11 VAL A 72 36.614 26.418 32.009 1.00 20.00 H new ATOM 0 HG12 VAL A 72 36.796 24.725 31.491 1.00 20.00 H new ATOM 0 HG13 VAL A 72 37.125 25.179 33.180 1.00 20.00 H new ATOM 0 HG21 VAL A 72 38.492 27.823 32.429 1.00 20.00 H new ATOM 0 HG22 VAL A 72 39.206 26.729 33.638 1.00 20.00 H new ATOM 0 HG23 VAL A 72 40.165 27.249 32.232 1.00 20.00 H new