USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 26:sc= 0.506 USER MOD Single : A 7 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.43) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.4) USER MOD Single : A 25 TYR OH : rot 99:sc= 0.00606 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.434 (180deg=-0.708) USER MOD Single : A 60 CYS SG : rot 70:sc= 0.0969 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00431 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.887 -6.874 -5.863 1.00 42.20 N ATOM 60 CA THR A 5 8.483 -6.482 -5.823 1.00 62.10 C ATOM 61 C THR A 5 8.026 -6.244 -4.387 1.00 23.10 C ATOM 62 O THR A 5 7.294 -5.294 -4.108 1.00 73.20 O ATOM 63 CB THR A 5 7.613 -7.557 -6.475 1.00 25.10 C ATOM 64 OG1 THR A 5 8.273 -8.127 -7.591 1.00 64.40 O ATOM 65 CG2 THR A 5 6.274 -7.037 -6.950 1.00 24.50 C ATOM 0 HA THR A 5 8.375 -5.551 -6.379 1.00 62.10 H new ATOM 0 HB THR A 5 7.440 -8.300 -5.696 1.00 25.10 H new ATOM 0 HG1 THR A 5 9.242 -8.036 -7.479 1.00 64.40 H new ATOM 0 HG21 THR A 5 5.707 -7.851 -7.402 1.00 24.50 H new ATOM 0 HG22 THR A 5 5.718 -6.635 -6.103 1.00 24.50 H new ATOM 0 HG23 THR A 5 6.430 -6.250 -7.688 1.00 24.50 H new ATOM 73 N LEU A 6 8.461 -7.112 -3.481 1.00 51.10 N ATOM 74 CA LEU A 6 8.096 -6.996 -2.074 1.00 74.20 C ATOM 75 C LEU A 6 8.749 -5.771 -1.441 1.00 21.50 C ATOM 76 O LEU A 6 8.110 -5.029 -0.697 1.00 74.30 O ATOM 77 CB LEU A 6 8.506 -8.259 -1.314 1.00 41.30 C ATOM 78 CG LEU A 6 7.432 -9.345 -1.236 1.00 22.10 C ATOM 79 CD1 LEU A 6 6.230 -8.851 -0.445 1.00 72.30 C ATOM 80 CD2 LEU A 6 7.012 -9.779 -2.632 1.00 21.50 C ATOM 0 H LEU A 6 9.067 -7.904 -3.696 1.00 51.10 H new ATOM 0 HA LEU A 6 7.014 -6.879 -2.013 1.00 74.20 H new ATOM 0 HB2 LEU A 6 9.392 -8.679 -1.790 1.00 41.30 H new ATOM 0 HB3 LEU A 6 8.791 -7.978 -0.300 1.00 41.30 H new ATOM 0 HG LEU A 6 7.851 -10.208 -0.719 1.00 22.10 H new ATOM 0 HD11 LEU A 6 5.476 -9.637 -0.400 1.00 72.30 H new ATOM 0 HD12 LEU A 6 6.542 -8.589 0.566 1.00 72.30 H new ATOM 0 HD13 LEU A 6 5.809 -7.972 -0.934 1.00 72.30 H new ATOM 0 HD21 LEU A 6 6.247 -10.552 -2.558 1.00 21.50 H new ATOM 0 HD22 LEU A 6 6.611 -8.923 -3.174 1.00 21.50 H new ATOM 0 HD23 LEU A 6 7.876 -10.174 -3.166 1.00 21.50 H new ATOM 92 N GLN A 7 10.028 -5.567 -1.742 1.00 34.40 N ATOM 93 CA GLN A 7 10.769 -4.433 -1.202 1.00 11.00 C ATOM 94 C GLN A 7 10.183 -3.114 -1.697 1.00 42.40 C ATOM 95 O GLN A 7 10.228 -2.102 -0.999 1.00 64.10 O ATOM 96 CB GLN A 7 12.245 -4.529 -1.592 1.00 44.30 C ATOM 97 CG GLN A 7 13.194 -4.062 -0.500 1.00 42.20 C ATOM 98 CD GLN A 7 13.611 -2.614 -0.670 1.00 24.20 C ATOM 99 OE1 GLN A 7 13.994 -2.191 -1.761 1.00 52.30 O ATOM 100 NE2 GLN A 7 13.539 -1.847 0.411 1.00 64.40 N ATOM 0 H GLN A 7 10.572 -6.172 -2.357 1.00 34.40 H new ATOM 0 HA GLN A 7 10.686 -4.461 -0.116 1.00 11.00 H new ATOM 0 HB2 GLN A 7 12.478 -5.563 -1.847 1.00 44.30 H new ATOM 0 HB3 GLN A 7 12.415 -3.933 -2.489 1.00 44.30 H new ATOM 0 HG2 GLN A 7 12.714 -4.187 0.471 1.00 42.20 H new ATOM 0 HG3 GLN A 7 14.082 -4.694 -0.500 1.00 42.20 H new ATOM 0 HE21 GLN A 7 13.216 -2.240 1.295 1.00 64.40 H new ATOM 0 HE22 GLN A 7 13.807 -0.864 0.358 1.00 64.40 H new ATOM 109 N LYS A 8 9.635 -3.134 -2.908 1.00 35.20 N ATOM 110 CA LYS A 8 9.041 -1.940 -3.497 1.00 31.40 C ATOM 111 C LYS A 8 7.734 -1.579 -2.797 1.00 53.50 C ATOM 112 O LYS A 8 7.400 -0.404 -2.651 1.00 50.20 O ATOM 113 CB LYS A 8 8.792 -2.154 -4.993 1.00 1.13 C ATOM 114 CG LYS A 8 9.832 -1.492 -5.882 1.00 52.40 C ATOM 115 CD LYS A 8 9.249 -1.110 -7.233 1.00 74.20 C ATOM 116 CE LYS A 8 9.670 -2.085 -8.321 1.00 64.00 C ATOM 117 NZ LYS A 8 10.748 -1.525 -9.182 1.00 71.40 N ATOM 0 H LYS A 8 9.590 -3.964 -3.500 1.00 35.20 H new ATOM 0 HA LYS A 8 9.740 -1.114 -3.367 1.00 31.40 H new ATOM 0 HB2 LYS A 8 8.776 -3.224 -5.201 1.00 1.13 H new ATOM 0 HB3 LYS A 8 7.806 -1.765 -5.248 1.00 1.13 H new ATOM 0 HG2 LYS A 8 10.221 -0.602 -5.388 1.00 52.40 H new ATOM 0 HG3 LYS A 8 10.673 -2.170 -6.026 1.00 52.40 H new ATOM 0 HD2 LYS A 8 8.161 -1.086 -7.167 1.00 74.20 H new ATOM 0 HD3 LYS A 8 9.575 -0.104 -7.499 1.00 74.20 H new ATOM 0 HE2 LYS A 8 10.016 -3.012 -7.864 1.00 64.00 H new ATOM 0 HE3 LYS A 8 8.807 -2.336 -8.937 1.00 64.00 H new ATOM 0 HZ1 LYS A 8 11.007 -2.220 -9.911 1.00 71.40 H new ATOM 0 HZ2 LYS A 8 10.410 -0.654 -9.639 1.00 71.40 H new ATOM 0 HZ3 LYS A 8 11.581 -1.309 -8.599 1.00 71.40 H new ATOM 131 N ALA A 9 6.999 -2.599 -2.364 1.00 14.30 N ATOM 132 CA ALA A 9 5.730 -2.390 -1.679 1.00 52.20 C ATOM 133 C ALA A 9 5.946 -1.820 -0.281 1.00 42.40 C ATOM 134 O ALA A 9 5.150 -1.013 0.201 1.00 41.10 O ATOM 135 CB ALA A 9 4.950 -3.694 -1.605 1.00 32.10 C ATOM 0 H ALA A 9 7.261 -3.578 -2.476 1.00 14.30 H new ATOM 0 HA ALA A 9 5.152 -1.665 -2.252 1.00 52.20 H new ATOM 0 HB1 ALA A 9 4.004 -3.524 -1.091 1.00 32.10 H new ATOM 0 HB2 ALA A 9 4.754 -4.059 -2.613 1.00 32.10 H new ATOM 0 HB3 ALA A 9 5.532 -4.436 -1.058 1.00 32.10 H new ATOM 141 N ILE A 10 7.027 -2.245 0.365 1.00 62.40 N ATOM 142 CA ILE A 10 7.346 -1.777 1.708 1.00 10.30 C ATOM 143 C ILE A 10 7.823 -0.328 1.687 1.00 60.20 C ATOM 144 O ILE A 10 7.614 0.418 2.643 1.00 22.10 O ATOM 145 CB ILE A 10 8.431 -2.653 2.366 1.00 1.12 C ATOM 146 CG1 ILE A 10 8.053 -4.133 2.268 1.00 51.00 C ATOM 147 CG2 ILE A 10 8.631 -2.249 3.819 1.00 73.40 C ATOM 148 CD1 ILE A 10 9.245 -5.064 2.304 1.00 52.30 C ATOM 0 H ILE A 10 7.696 -2.912 -0.020 1.00 62.40 H new ATOM 0 HA ILE A 10 6.429 -1.847 2.293 1.00 10.30 H new ATOM 0 HB ILE A 10 9.370 -2.500 1.834 1.00 1.12 H new ATOM 0 HG12 ILE A 10 7.381 -4.383 3.089 1.00 51.00 H new ATOM 0 HG13 ILE A 10 7.501 -4.298 1.343 1.00 51.00 H new ATOM 0 HG21 ILE A 10 9.400 -2.877 4.269 1.00 73.40 H new ATOM 0 HG22 ILE A 10 8.941 -1.205 3.867 1.00 73.40 H new ATOM 0 HG23 ILE A 10 7.695 -2.375 4.364 1.00 73.40 H new ATOM 0 HD11 ILE A 10 8.903 -6.096 2.230 1.00 52.30 H new ATOM 0 HD12 ILE A 10 9.907 -4.840 1.467 1.00 52.30 H new ATOM 0 HD13 ILE A 10 9.786 -4.927 3.241 1.00 52.30 H new ATOM 160 N ASP A 11 8.463 0.064 0.589 1.00 60.40 N ATOM 161 CA ASP A 11 8.969 1.424 0.444 1.00 41.10 C ATOM 162 C ASP A 11 7.825 2.411 0.237 1.00 71.30 C ATOM 163 O ASP A 11 7.908 3.569 0.647 1.00 60.10 O ATOM 164 CB ASP A 11 9.948 1.503 -0.731 1.00 70.40 C ATOM 165 CG ASP A 11 11.393 1.532 -0.277 1.00 61.30 C ATOM 166 OD1 ASP A 11 11.985 0.445 -0.107 1.00 52.20 O ATOM 167 OD2 ASP A 11 11.935 2.642 -0.092 1.00 34.40 O ATOM 0 H ASP A 11 8.643 -0.541 -0.212 1.00 60.40 H new ATOM 0 HA ASP A 11 9.492 1.691 1.362 1.00 41.10 H new ATOM 0 HB2 ASP A 11 9.793 0.647 -1.388 1.00 70.40 H new ATOM 0 HB3 ASP A 11 9.736 2.397 -1.318 1.00 70.40 H new ATOM 172 N LEU A 12 6.757 1.947 -0.403 1.00 55.10 N ATOM 173 CA LEU A 12 5.596 2.789 -0.666 1.00 52.10 C ATOM 174 C LEU A 12 4.790 3.019 0.609 1.00 25.40 C ATOM 175 O LEU A 12 4.167 4.066 0.780 1.00 31.50 O ATOM 176 CB LEU A 12 4.709 2.152 -1.737 1.00 1.25 C ATOM 177 CG LEU A 12 5.008 2.593 -3.171 1.00 31.30 C ATOM 178 CD1 LEU A 12 4.801 4.090 -3.323 1.00 22.40 C ATOM 179 CD2 LEU A 12 6.427 2.206 -3.561 1.00 20.20 C ATOM 0 H LEU A 12 6.671 0.991 -0.749 1.00 55.10 H new ATOM 0 HA LEU A 12 5.953 3.754 -1.027 1.00 52.10 H new ATOM 0 HB2 LEU A 12 4.814 1.069 -1.677 1.00 1.25 H new ATOM 0 HB3 LEU A 12 3.668 2.385 -1.511 1.00 1.25 H new ATOM 0 HG LEU A 12 4.316 2.083 -3.841 1.00 31.30 H new ATOM 0 HD11 LEU A 12 5.018 4.385 -4.350 1.00 22.40 H new ATOM 0 HD12 LEU A 12 3.767 4.340 -3.085 1.00 22.40 H new ATOM 0 HD13 LEU A 12 5.469 4.620 -2.644 1.00 22.40 H new ATOM 0 HD21 LEU A 12 6.624 2.527 -4.584 1.00 20.20 H new ATOM 0 HD22 LEU A 12 7.134 2.689 -2.887 1.00 20.20 H new ATOM 0 HD23 LEU A 12 6.541 1.124 -3.492 1.00 20.20 H new ATOM 191 N VAL A 13 4.807 2.034 1.500 1.00 50.30 N ATOM 192 CA VAL A 13 4.077 2.128 2.759 1.00 73.40 C ATOM 193 C VAL A 13 4.786 3.059 3.737 1.00 11.40 C ATOM 194 O VAL A 13 4.148 3.702 4.570 1.00 3.25 O ATOM 195 CB VAL A 13 3.905 0.745 3.416 1.00 74.00 C ATOM 196 CG1 VAL A 13 3.011 0.842 4.643 1.00 64.40 C ATOM 197 CG2 VAL A 13 3.343 -0.256 2.418 1.00 54.10 C ATOM 0 H VAL A 13 5.319 1.161 1.374 1.00 50.30 H new ATOM 0 HA VAL A 13 3.093 2.533 2.523 1.00 73.40 H new ATOM 0 HB VAL A 13 4.886 0.393 3.736 1.00 74.00 H new ATOM 0 HG11 VAL A 13 2.902 -0.145 5.093 1.00 64.40 H new ATOM 0 HG12 VAL A 13 3.459 1.523 5.367 1.00 64.40 H new ATOM 0 HG13 VAL A 13 2.031 1.218 4.350 1.00 64.40 H new ATOM 0 HG21 VAL A 13 3.229 -1.226 2.901 1.00 54.10 H new ATOM 0 HG22 VAL A 13 2.372 0.090 2.064 1.00 54.10 H new ATOM 0 HG23 VAL A 13 4.025 -0.349 1.573 1.00 54.10 H new ATOM 207 N THR A 14 6.110 3.125 3.632 1.00 53.10 N ATOM 208 CA THR A 14 6.904 3.976 4.510 1.00 31.40 C ATOM 209 C THR A 14 6.754 5.445 4.126 1.00 31.30 C ATOM 210 O THR A 14 6.650 6.315 4.990 1.00 1.03 O ATOM 211 CB THR A 14 8.378 3.571 4.453 1.00 50.40 C ATOM 212 OG1 THR A 14 8.510 2.161 4.455 1.00 35.30 O ATOM 213 CG2 THR A 14 9.192 4.110 5.609 1.00 21.20 C ATOM 0 H THR A 14 6.655 2.600 2.948 1.00 53.10 H new ATOM 0 HA THR A 14 6.538 3.845 5.528 1.00 31.40 H new ATOM 0 HB THR A 14 8.761 4.003 3.528 1.00 50.40 H new ATOM 0 HG1 THR A 14 8.267 1.808 3.573 1.00 35.30 H new ATOM 0 HG21 THR A 14 10.228 3.786 5.507 1.00 21.20 H new ATOM 0 HG22 THR A 14 9.151 5.199 5.606 1.00 21.20 H new ATOM 0 HG23 THR A 14 8.785 3.734 6.547 1.00 21.20 H new ATOM 221 N LYS A 15 6.744 5.714 2.824 1.00 35.30 N ATOM 222 CA LYS A 15 6.607 7.077 2.327 1.00 41.40 C ATOM 223 C LYS A 15 5.179 7.584 2.512 1.00 32.30 C ATOM 224 O LYS A 15 4.953 8.779 2.699 1.00 61.10 O ATOM 225 CB LYS A 15 6.999 7.145 0.848 1.00 61.30 C ATOM 226 CG LYS A 15 8.375 7.745 0.612 1.00 5.34 C ATOM 227 CD LYS A 15 9.408 6.672 0.307 1.00 64.40 C ATOM 228 CE LYS A 15 10.708 7.277 -0.198 1.00 42.20 C ATOM 229 NZ LYS A 15 11.729 7.380 0.881 1.00 63.00 N ATOM 0 H LYS A 15 6.829 5.006 2.095 1.00 35.30 H new ATOM 0 HA LYS A 15 7.277 7.716 2.903 1.00 41.40 H new ATOM 0 HB2 LYS A 15 6.973 6.140 0.427 1.00 61.30 H new ATOM 0 HB3 LYS A 15 6.257 7.735 0.311 1.00 61.30 H new ATOM 0 HG2 LYS A 15 8.327 8.451 -0.217 1.00 5.34 H new ATOM 0 HG3 LYS A 15 8.683 8.308 1.493 1.00 5.34 H new ATOM 0 HD2 LYS A 15 9.603 6.087 1.206 1.00 64.40 H new ATOM 0 HD3 LYS A 15 9.011 5.985 -0.440 1.00 64.40 H new ATOM 0 HE2 LYS A 15 11.100 6.667 -1.012 1.00 42.20 H new ATOM 0 HE3 LYS A 15 10.512 8.268 -0.608 1.00 42.20 H new ATOM 0 HZ1 LYS A 15 12.600 7.797 0.496 1.00 63.00 H new ATOM 0 HZ2 LYS A 15 11.365 7.983 1.647 1.00 63.00 H new ATOM 0 HZ3 LYS A 15 11.935 6.432 1.255 1.00 63.00 H new ATOM 243 N ALA A 16 4.219 6.667 2.458 1.00 12.40 N ATOM 244 CA ALA A 16 2.814 7.020 2.618 1.00 31.40 C ATOM 245 C ALA A 16 2.502 7.393 4.063 1.00 71.20 C ATOM 246 O ALA A 16 1.884 8.425 4.328 1.00 21.10 O ATOM 247 CB ALA A 16 1.927 5.871 2.164 1.00 74.10 C ATOM 0 H ALA A 16 4.389 5.673 2.305 1.00 12.40 H new ATOM 0 HA ALA A 16 2.610 7.890 1.994 1.00 31.40 H new ATOM 0 HB1 ALA A 16 0.880 6.148 2.289 1.00 74.10 H new ATOM 0 HB2 ALA A 16 2.122 5.654 1.114 1.00 74.10 H new ATOM 0 HB3 ALA A 16 2.142 4.986 2.763 1.00 74.10 H new ATOM 253 N THR A 17 2.930 6.547 4.993 1.00 43.40 N ATOM 254 CA THR A 17 2.694 6.788 6.413 1.00 33.00 C ATOM 255 C THR A 17 3.317 8.108 6.854 1.00 71.10 C ATOM 256 O THR A 17 2.674 8.915 7.525 1.00 10.10 O ATOM 257 CB THR A 17 3.261 5.638 7.247 1.00 61.10 C ATOM 258 OG1 THR A 17 3.063 5.878 8.629 1.00 24.00 O ATOM 259 CG2 THR A 17 4.741 5.412 7.028 1.00 52.40 C ATOM 0 H THR A 17 3.442 5.688 4.790 1.00 43.40 H new ATOM 0 HA THR A 17 1.617 6.847 6.571 1.00 33.00 H new ATOM 0 HB THR A 17 2.723 4.749 6.918 1.00 61.10 H new ATOM 0 HG1 THR A 17 3.431 5.131 9.147 1.00 24.00 H new ATOM 0 HG21 THR A 17 5.078 4.583 7.650 1.00 52.40 H new ATOM 0 HG22 THR A 17 4.922 5.176 5.979 1.00 52.40 H new ATOM 0 HG23 THR A 17 5.291 6.314 7.297 1.00 52.40 H new ATOM 267 N GLU A 18 4.572 8.321 6.475 1.00 13.40 N ATOM 268 CA GLU A 18 5.282 9.544 6.832 1.00 2.13 C ATOM 269 C GLU A 18 4.607 10.767 6.219 1.00 14.40 C ATOM 270 O GLU A 18 4.490 11.811 6.861 1.00 12.30 O ATOM 271 CB GLU A 18 6.738 9.467 6.372 1.00 13.10 C ATOM 272 CG GLU A 18 6.896 9.389 4.863 1.00 64.30 C ATOM 273 CD GLU A 18 8.348 9.354 4.429 1.00 54.00 C ATOM 274 OE1 GLU A 18 9.153 8.676 5.102 1.00 43.50 O ATOM 275 OE2 GLU A 18 8.681 10.005 3.415 1.00 31.40 O ATOM 0 H GLU A 18 5.119 7.663 5.920 1.00 13.40 H new ATOM 0 HA GLU A 18 5.256 9.644 7.917 1.00 2.13 H new ATOM 0 HB2 GLU A 18 7.273 10.342 6.740 1.00 13.10 H new ATOM 0 HB3 GLU A 18 7.207 8.593 6.824 1.00 13.10 H new ATOM 0 HG2 GLU A 18 6.389 8.497 4.494 1.00 64.30 H new ATOM 0 HG3 GLU A 18 6.405 10.248 4.405 1.00 64.30 H new ATOM 282 N GLU A 19 4.164 10.630 4.974 1.00 53.30 N ATOM 283 CA GLU A 19 3.500 11.725 4.274 1.00 0.42 C ATOM 284 C GLU A 19 2.220 12.136 4.997 1.00 31.30 C ATOM 285 O GLU A 19 1.945 13.325 5.163 1.00 42.10 O ATOM 286 CB GLU A 19 3.182 11.318 2.833 1.00 73.30 C ATOM 287 CG GLU A 19 4.141 11.908 1.811 1.00 32.20 C ATOM 288 CD GLU A 19 4.588 10.892 0.777 1.00 34.40 C ATOM 289 OE1 GLU A 19 3.771 10.538 -0.099 1.00 24.30 O ATOM 290 OE2 GLU A 19 5.755 10.453 0.843 1.00 15.10 O ATOM 0 H GLU A 19 4.252 9.773 4.429 1.00 53.30 H new ATOM 0 HA GLU A 19 4.177 12.580 4.260 1.00 0.42 H new ATOM 0 HB2 GLU A 19 3.206 10.231 2.757 1.00 73.30 H new ATOM 0 HB3 GLU A 19 2.167 11.632 2.591 1.00 73.30 H new ATOM 0 HG2 GLU A 19 3.659 12.746 1.307 1.00 32.20 H new ATOM 0 HG3 GLU A 19 5.015 12.306 2.326 1.00 32.20 H new ATOM 297 N ASP A 20 1.442 11.147 5.423 1.00 5.23 N ATOM 298 CA ASP A 20 0.190 11.407 6.128 1.00 72.10 C ATOM 299 C ASP A 20 0.418 12.314 7.334 1.00 13.10 C ATOM 300 O ASP A 20 -0.462 13.085 7.718 1.00 54.40 O ATOM 301 CB ASP A 20 -0.448 10.090 6.578 1.00 31.10 C ATOM 302 CG ASP A 20 -1.954 10.091 6.409 1.00 51.40 C ATOM 303 OD1 ASP A 20 -2.423 10.240 5.261 1.00 13.40 O ATOM 304 OD2 ASP A 20 -2.665 9.941 7.425 1.00 11.50 O ATOM 0 H ASP A 20 1.655 10.158 5.293 1.00 5.23 H new ATOM 0 HA ASP A 20 -0.485 11.915 5.440 1.00 72.10 H new ATOM 0 HB2 ASP A 20 -0.021 9.268 6.004 1.00 31.10 H new ATOM 0 HB3 ASP A 20 -0.203 9.909 7.625 1.00 31.10 H new ATOM 309 N LYS A 21 1.603 12.217 7.926 1.00 44.20 N ATOM 310 CA LYS A 21 1.947 13.030 9.087 1.00 1.42 C ATOM 311 C LYS A 21 2.239 14.471 8.678 1.00 43.50 C ATOM 312 O LYS A 21 2.088 15.395 9.477 1.00 15.30 O ATOM 313 CB LYS A 21 3.157 12.434 9.812 1.00 55.40 C ATOM 314 CG LYS A 21 2.809 11.786 11.143 1.00 32.30 C ATOM 315 CD LYS A 21 2.691 10.276 11.016 1.00 11.20 C ATOM 316 CE LYS A 21 2.783 9.595 12.371 1.00 12.50 C ATOM 317 NZ LYS A 21 2.017 8.318 12.404 1.00 73.10 N ATOM 0 H LYS A 21 2.342 11.583 7.621 1.00 44.20 H new ATOM 0 HA LYS A 21 1.093 13.033 9.764 1.00 1.42 H new ATOM 0 HB2 LYS A 21 3.627 11.691 9.167 1.00 55.40 H new ATOM 0 HB3 LYS A 21 3.893 13.220 9.981 1.00 55.40 H new ATOM 0 HG2 LYS A 21 3.575 12.031 11.879 1.00 32.30 H new ATOM 0 HG3 LYS A 21 1.869 12.195 11.513 1.00 32.30 H new ATOM 0 HD2 LYS A 21 1.742 10.023 10.544 1.00 11.20 H new ATOM 0 HD3 LYS A 21 3.481 9.902 10.365 1.00 11.20 H new ATOM 0 HE2 LYS A 21 3.828 9.397 12.608 1.00 12.50 H new ATOM 0 HE3 LYS A 21 2.403 10.266 13.141 1.00 12.50 H new ATOM 0 HZ1 LYS A 21 2.105 7.885 13.345 1.00 73.10 H new ATOM 0 HZ2 LYS A 21 1.015 8.509 12.203 1.00 73.10 H new ATOM 0 HZ3 LYS A 21 2.396 7.667 11.686 1.00 73.10 H new ATOM 331 N ALA A 22 2.659 14.657 7.430 1.00 43.10 N ATOM 332 CA ALA A 22 2.971 15.987 6.920 1.00 73.20 C ATOM 333 C ALA A 22 1.794 16.575 6.148 1.00 55.20 C ATOM 334 O ALA A 22 1.978 17.386 5.240 1.00 45.00 O ATOM 335 CB ALA A 22 4.210 15.935 6.039 1.00 14.50 C ATOM 0 H ALA A 22 2.791 13.904 6.755 1.00 43.10 H new ATOM 0 HA ALA A 22 3.169 16.637 7.772 1.00 73.20 H new ATOM 0 HB1 ALA A 22 4.432 16.934 5.664 1.00 14.50 H new ATOM 0 HB2 ALA A 22 5.056 15.569 6.622 1.00 14.50 H new ATOM 0 HB3 ALA A 22 4.031 15.264 5.199 1.00 14.50 H new ATOM 341 N LYS A 23 0.584 16.163 6.514 1.00 22.10 N ATOM 342 CA LYS A 23 -0.623 16.652 5.857 1.00 63.50 C ATOM 343 C LYS A 23 -0.590 16.348 4.360 1.00 31.40 C ATOM 344 O LYS A 23 -0.710 17.250 3.529 1.00 21.10 O ATOM 345 CB LYS A 23 -0.776 18.157 6.083 1.00 22.30 C ATOM 346 CG LYS A 23 -1.558 18.508 7.338 1.00 1.44 C ATOM 347 CD LYS A 23 -2.985 18.925 7.011 1.00 52.30 C ATOM 348 CE LYS A 23 -3.985 18.280 7.955 1.00 23.40 C ATOM 349 NZ LYS A 23 -5.380 18.385 7.443 1.00 53.10 N ATOM 0 H LYS A 23 0.414 15.491 7.262 1.00 22.10 H new ATOM 0 HA LYS A 23 -1.479 16.138 6.293 1.00 63.50 H new ATOM 0 HB2 LYS A 23 0.214 18.609 6.144 1.00 22.30 H new ATOM 0 HB3 LYS A 23 -1.275 18.597 5.219 1.00 22.30 H new ATOM 0 HG2 LYS A 23 -1.574 17.649 8.009 1.00 1.44 H new ATOM 0 HG3 LYS A 23 -1.054 19.317 7.867 1.00 1.44 H new ATOM 0 HD2 LYS A 23 -3.071 20.010 7.074 1.00 52.30 H new ATOM 0 HD3 LYS A 23 -3.220 18.646 5.984 1.00 52.30 H new ATOM 0 HE2 LYS A 23 -3.728 17.230 8.094 1.00 23.40 H new ATOM 0 HE3 LYS A 23 -3.920 18.757 8.933 1.00 23.40 H new ATOM 0 HZ1 LYS A 23 -6.032 17.933 8.116 1.00 53.10 H new ATOM 0 HZ2 LYS A 23 -5.635 19.387 7.334 1.00 53.10 H new ATOM 0 HZ3 LYS A 23 -5.448 17.908 6.521 1.00 53.10 H new ATOM 363 N ASN A 24 -0.428 15.072 4.024 1.00 32.40 N ATOM 364 CA ASN A 24 -0.381 14.649 2.629 1.00 53.20 C ATOM 365 C ASN A 24 -1.439 13.585 2.347 1.00 65.30 C ATOM 366 O ASN A 24 -1.157 12.566 1.715 1.00 3.14 O ATOM 367 CB ASN A 24 1.008 14.113 2.283 1.00 35.10 C ATOM 368 CG ASN A 24 2.055 15.209 2.232 1.00 5.31 C ATOM 369 OD1 ASN A 24 2.631 15.581 3.254 1.00 35.40 O ATOM 370 ND2 ASN A 24 2.306 15.733 1.038 1.00 12.30 N ATOM 0 H ASN A 24 -0.327 14.313 4.698 1.00 32.40 H new ATOM 0 HA ASN A 24 -0.591 15.517 2.004 1.00 53.20 H new ATOM 0 HB2 ASN A 24 1.302 13.368 3.023 1.00 35.10 H new ATOM 0 HB3 ASN A 24 0.969 13.606 1.319 1.00 35.10 H new ATOM 0 HD21 ASN A 24 3.000 16.474 0.942 1.00 12.30 H new ATOM 0 HD22 ASN A 24 1.805 15.394 0.217 1.00 12.30 H new ATOM 377 N TYR A 25 -2.656 13.828 2.823 1.00 12.10 N ATOM 378 CA TYR A 25 -3.759 12.892 2.625 1.00 45.30 C ATOM 379 C TYR A 25 -3.942 12.563 1.146 1.00 2.15 C ATOM 380 O TYR A 25 -4.260 11.430 0.787 1.00 24.10 O ATOM 381 CB TYR A 25 -5.056 13.472 3.193 1.00 63.00 C ATOM 382 CG TYR A 25 -5.133 13.421 4.703 1.00 10.10 C ATOM 383 CD1 TYR A 25 -4.442 14.338 5.485 1.00 73.10 C ATOM 384 CD2 TYR A 25 -5.896 12.453 5.344 1.00 21.30 C ATOM 385 CE1 TYR A 25 -4.510 14.293 6.863 1.00 13.10 C ATOM 386 CE2 TYR A 25 -5.969 12.403 6.723 1.00 22.00 C ATOM 387 CZ TYR A 25 -5.275 13.324 7.478 1.00 32.30 C ATOM 388 OH TYR A 25 -5.345 13.277 8.852 1.00 54.40 O ATOM 0 H TYR A 25 -2.904 14.666 3.349 1.00 12.10 H new ATOM 0 HA TYR A 25 -3.516 11.971 3.154 1.00 45.30 H new ATOM 0 HB2 TYR A 25 -5.154 14.508 2.867 1.00 63.00 H new ATOM 0 HB3 TYR A 25 -5.902 12.925 2.776 1.00 63.00 H new ATOM 0 HD1 TYR A 25 -3.842 15.098 5.007 1.00 73.10 H new ATOM 0 HD2 TYR A 25 -6.440 11.729 4.756 1.00 21.30 H new ATOM 0 HE1 TYR A 25 -3.967 15.013 7.457 1.00 13.10 H new ATOM 0 HE2 TYR A 25 -6.567 11.645 7.207 1.00 22.00 H new ATOM 0 HH TYR A 25 -6.170 13.713 9.153 1.00 54.40 H new ATOM 398 N GLU A 26 -3.739 13.562 0.293 1.00 73.10 N ATOM 399 CA GLU A 26 -3.881 13.379 -1.146 1.00 75.50 C ATOM 400 C GLU A 26 -2.771 12.487 -1.695 1.00 51.20 C ATOM 401 O GLU A 26 -3.009 11.643 -2.558 1.00 5.13 O ATOM 402 CB GLU A 26 -3.864 14.733 -1.859 1.00 2.32 C ATOM 403 CG GLU A 26 -2.616 15.554 -1.577 1.00 25.50 C ATOM 404 CD GLU A 26 -1.581 15.438 -2.679 1.00 55.10 C ATOM 405 OE1 GLU A 26 -1.763 16.081 -3.734 1.00 2.42 O ATOM 406 OE2 GLU A 26 -0.588 14.705 -2.487 1.00 73.40 O ATOM 0 H GLU A 26 -3.476 14.506 0.574 1.00 73.10 H new ATOM 0 HA GLU A 26 -4.838 12.891 -1.331 1.00 75.50 H new ATOM 0 HB2 GLU A 26 -3.946 14.569 -2.934 1.00 2.32 H new ATOM 0 HB3 GLU A 26 -4.741 15.305 -1.556 1.00 2.32 H new ATOM 0 HG2 GLU A 26 -2.894 16.601 -1.454 1.00 25.50 H new ATOM 0 HG3 GLU A 26 -2.176 15.228 -0.635 1.00 25.50 H new ATOM 413 N GLU A 27 -1.558 12.681 -1.186 1.00 1.54 N ATOM 414 CA GLU A 27 -0.411 11.895 -1.624 1.00 34.10 C ATOM 415 C GLU A 27 -0.487 10.472 -1.081 1.00 15.10 C ATOM 416 O GLU A 27 -0.170 9.512 -1.783 1.00 22.50 O ATOM 417 CB GLU A 27 0.891 12.558 -1.170 1.00 34.30 C ATOM 418 CG GLU A 27 2.029 12.408 -2.165 1.00 73.00 C ATOM 419 CD GLU A 27 2.104 13.565 -3.142 1.00 24.40 C ATOM 420 OE1 GLU A 27 2.649 14.625 -2.768 1.00 13.20 O ATOM 421 OE2 GLU A 27 1.617 13.411 -4.282 1.00 52.10 O ATOM 0 H GLU A 27 -1.345 13.376 -0.470 1.00 1.54 H new ATOM 0 HA GLU A 27 -0.427 11.850 -2.713 1.00 34.10 H new ATOM 0 HB2 GLU A 27 0.708 13.619 -0.997 1.00 34.30 H new ATOM 0 HB3 GLU A 27 1.195 12.127 -0.216 1.00 34.30 H new ATOM 0 HG2 GLU A 27 2.972 12.332 -1.624 1.00 73.00 H new ATOM 0 HG3 GLU A 27 1.903 11.477 -2.718 1.00 73.00 H new ATOM 428 N ALA A 28 -0.906 10.344 0.174 1.00 54.20 N ATOM 429 CA ALA A 28 -1.022 9.037 0.811 1.00 62.40 C ATOM 430 C ALA A 28 -1.976 8.130 0.042 1.00 2.22 C ATOM 431 O ALA A 28 -1.764 6.920 -0.043 1.00 10.30 O ATOM 432 CB ALA A 28 -1.486 9.193 2.252 1.00 32.10 C ATOM 0 H ALA A 28 -1.171 11.129 0.770 1.00 54.20 H new ATOM 0 HA ALA A 28 -0.037 8.570 0.804 1.00 62.40 H new ATOM 0 HB1 ALA A 28 -1.569 8.210 2.716 1.00 32.10 H new ATOM 0 HB2 ALA A 28 -0.764 9.795 2.804 1.00 32.10 H new ATOM 0 HB3 ALA A 28 -2.458 9.685 2.270 1.00 32.10 H new ATOM 438 N LEU A 29 -3.027 8.721 -0.516 1.00 2.51 N ATOM 439 CA LEU A 29 -4.013 7.963 -1.278 1.00 72.30 C ATOM 440 C LEU A 29 -3.371 7.297 -2.491 1.00 13.10 C ATOM 441 O LEU A 29 -3.545 6.101 -2.719 1.00 14.50 O ATOM 442 CB LEU A 29 -5.155 8.876 -1.728 1.00 53.00 C ATOM 443 CG LEU A 29 -6.223 8.198 -2.589 1.00 23.30 C ATOM 444 CD1 LEU A 29 -7.023 7.202 -1.763 1.00 73.50 C ATOM 445 CD2 LEU A 29 -7.143 9.238 -3.212 1.00 22.40 C ATOM 0 H LEU A 29 -3.218 9.721 -0.455 1.00 2.51 H new ATOM 0 HA LEU A 29 -4.414 7.185 -0.629 1.00 72.30 H new ATOM 0 HB2 LEU A 29 -5.635 9.296 -0.844 1.00 53.00 H new ATOM 0 HB3 LEU A 29 -4.734 9.711 -2.288 1.00 53.00 H new ATOM 0 HG LEU A 29 -5.725 7.654 -3.392 1.00 23.30 H new ATOM 0 HD11 LEU A 29 -7.777 6.730 -2.393 1.00 73.50 H new ATOM 0 HD12 LEU A 29 -6.354 6.439 -1.365 1.00 73.50 H new ATOM 0 HD13 LEU A 29 -7.512 7.722 -0.939 1.00 73.50 H new ATOM 0 HD21 LEU A 29 -7.897 8.739 -3.821 1.00 22.40 H new ATOM 0 HD22 LEU A 29 -7.633 9.809 -2.424 1.00 22.40 H new ATOM 0 HD23 LEU A 29 -6.559 9.912 -3.838 1.00 22.40 H new ATOM 457 N ARG A 30 -2.628 8.081 -3.266 1.00 51.50 N ATOM 458 CA ARG A 30 -1.962 7.564 -4.457 1.00 22.40 C ATOM 459 C ARG A 30 -0.781 6.676 -4.079 1.00 43.10 C ATOM 460 O ARG A 30 -0.446 5.733 -4.796 1.00 70.30 O ATOM 461 CB ARG A 30 -1.485 8.718 -5.342 1.00 23.40 C ATOM 462 CG ARG A 30 -2.603 9.387 -6.126 1.00 20.30 C ATOM 463 CD ARG A 30 -3.021 8.553 -7.327 1.00 32.50 C ATOM 464 NE ARG A 30 -3.111 9.354 -8.546 1.00 23.30 N ATOM 465 CZ ARG A 30 -3.768 8.971 -9.637 1.00 22.10 C ATOM 466 NH1 ARG A 30 -4.396 7.802 -9.668 1.00 30.00 N ATOM 467 NH2 ARG A 30 -3.800 9.761 -10.700 1.00 11.50 N ATOM 0 H ARG A 30 -2.472 9.074 -3.092 1.00 51.50 H new ATOM 0 HA ARG A 30 -2.682 6.963 -5.012 1.00 22.40 H new ATOM 0 HB2 ARG A 30 -0.994 9.464 -4.718 1.00 23.40 H new ATOM 0 HB3 ARG A 30 -0.737 8.344 -6.040 1.00 23.40 H new ATOM 0 HG2 ARG A 30 -3.462 9.543 -5.474 1.00 20.30 H new ATOM 0 HG3 ARG A 30 -2.275 10.371 -6.462 1.00 20.30 H new ATOM 0 HD2 ARG A 30 -2.303 7.746 -7.476 1.00 32.50 H new ATOM 0 HD3 ARG A 30 -3.986 8.088 -7.127 1.00 32.50 H new ATOM 0 HE ARG A 30 -2.642 10.260 -8.561 1.00 23.30 H new ATOM 0 HH11 ARG A 30 -4.377 7.191 -8.852 1.00 30.00 H new ATOM 0 HH12 ARG A 30 -4.898 7.515 -10.508 1.00 30.00 H new ATOM 0 HH21 ARG A 30 -3.321 10.661 -10.681 1.00 11.50 H new ATOM 0 HH22 ARG A 30 -4.303 9.469 -11.538 1.00 11.50 H new ATOM 481 N LEU A 31 -0.152 6.985 -2.950 1.00 52.30 N ATOM 482 CA LEU A 31 0.994 6.215 -2.478 1.00 42.10 C ATOM 483 C LEU A 31 0.560 4.835 -1.988 1.00 33.50 C ATOM 484 O LEU A 31 1.164 3.823 -2.342 1.00 42.20 O ATOM 485 CB LEU A 31 1.714 6.970 -1.356 1.00 73.30 C ATOM 486 CG LEU A 31 2.970 7.728 -1.788 1.00 21.00 C ATOM 487 CD1 LEU A 31 4.080 6.756 -2.158 1.00 63.30 C ATOM 488 CD2 LEU A 31 2.661 8.655 -2.954 1.00 0.03 C ATOM 0 H LEU A 31 -0.416 7.763 -2.345 1.00 52.30 H new ATOM 0 HA LEU A 31 1.681 6.081 -3.314 1.00 42.10 H new ATOM 0 HB2 LEU A 31 1.016 7.678 -0.910 1.00 73.30 H new ATOM 0 HB3 LEU A 31 1.988 6.258 -0.577 1.00 73.30 H new ATOM 0 HG LEU A 31 3.310 8.334 -0.949 1.00 21.00 H new ATOM 0 HD11 LEU A 31 4.965 7.314 -2.463 1.00 63.30 H new ATOM 0 HD12 LEU A 31 4.322 6.134 -1.296 1.00 63.30 H new ATOM 0 HD13 LEU A 31 3.749 6.122 -2.981 1.00 63.30 H new ATOM 0 HD21 LEU A 31 3.567 9.186 -3.247 1.00 0.03 H new ATOM 0 HD22 LEU A 31 2.295 8.069 -3.797 1.00 0.03 H new ATOM 0 HD23 LEU A 31 1.900 9.375 -2.654 1.00 0.03 H new ATOM 500 N TYR A 32 -0.487 4.805 -1.170 1.00 31.00 N ATOM 501 CA TYR A 32 -0.998 3.548 -0.630 1.00 10.20 C ATOM 502 C TYR A 32 -1.572 2.669 -1.739 1.00 22.30 C ATOM 503 O TYR A 32 -1.364 1.456 -1.752 1.00 12.20 O ATOM 504 CB TYR A 32 -2.071 3.822 0.427 1.00 0.40 C ATOM 505 CG TYR A 32 -1.557 3.735 1.847 1.00 70.10 C ATOM 506 CD1 TYR A 32 -1.277 2.506 2.431 1.00 24.40 C ATOM 507 CD2 TYR A 32 -1.351 4.883 2.602 1.00 74.30 C ATOM 508 CE1 TYR A 32 -0.808 2.424 3.728 1.00 1.11 C ATOM 509 CE2 TYR A 32 -0.881 4.808 3.899 1.00 5.32 C ATOM 510 CZ TYR A 32 -0.610 3.577 4.458 1.00 33.10 C ATOM 511 OH TYR A 32 -0.143 3.499 5.749 1.00 21.10 O ATOM 0 H TYR A 32 -0.998 5.634 -0.866 1.00 31.00 H new ATOM 0 HA TYR A 32 -0.167 3.017 -0.166 1.00 10.20 H new ATOM 0 HB2 TYR A 32 -2.488 4.815 0.260 1.00 0.40 H new ATOM 0 HB3 TYR A 32 -2.885 3.109 0.300 1.00 0.40 H new ATOM 0 HD1 TYR A 32 -1.428 1.600 1.862 1.00 24.40 H new ATOM 0 HD2 TYR A 32 -1.562 5.849 2.168 1.00 74.30 H new ATOM 0 HE1 TYR A 32 -0.597 1.461 4.168 1.00 1.11 H new ATOM 0 HE2 TYR A 32 -0.726 5.710 4.473 1.00 5.32 H new ATOM 0 HH TYR A 32 -0.058 4.402 6.121 1.00 21.10 H new ATOM 521 N GLN A 33 -2.296 3.290 -2.664 1.00 64.20 N ATOM 522 CA GLN A 33 -2.902 2.563 -3.775 1.00 24.00 C ATOM 523 C GLN A 33 -1.838 1.853 -4.609 1.00 35.30 C ATOM 524 O GLN A 33 -2.093 0.796 -5.188 1.00 73.40 O ATOM 525 CB GLN A 33 -3.709 3.520 -4.658 1.00 70.10 C ATOM 526 CG GLN A 33 -5.212 3.341 -4.530 1.00 34.50 C ATOM 527 CD GLN A 33 -5.973 3.958 -5.686 1.00 61.50 C ATOM 528 OE1 GLN A 33 -6.075 3.368 -6.762 1.00 22.40 O ATOM 529 NE2 GLN A 33 -6.512 5.152 -5.470 1.00 64.30 N ATOM 0 H GLN A 33 -2.478 4.294 -2.667 1.00 64.20 H new ATOM 0 HA GLN A 33 -3.572 1.810 -3.361 1.00 24.00 H new ATOM 0 HB2 GLN A 33 -3.450 4.547 -4.399 1.00 70.10 H new ATOM 0 HB3 GLN A 33 -3.421 3.372 -5.699 1.00 70.10 H new ATOM 0 HG2 GLN A 33 -5.444 2.277 -4.474 1.00 34.50 H new ATOM 0 HG3 GLN A 33 -5.550 3.791 -3.596 1.00 34.50 H new ATOM 0 HE21 GLN A 33 -6.402 5.604 -4.562 1.00 64.30 H new ATOM 0 HE22 GLN A 33 -7.036 5.617 -6.212 1.00 64.30 H new ATOM 538 N HIS A 34 -0.647 2.440 -4.666 1.00 0.00 N ATOM 539 CA HIS A 34 0.453 1.864 -5.430 1.00 53.20 C ATOM 540 C HIS A 34 1.003 0.618 -4.741 1.00 1.24 C ATOM 541 O HIS A 34 1.191 -0.422 -5.374 1.00 51.40 O ATOM 542 CB HIS A 34 1.568 2.897 -5.614 1.00 42.10 C ATOM 543 CG HIS A 34 1.644 3.453 -7.001 1.00 10.40 C ATOM 544 ND1 HIS A 34 2.603 3.069 -7.915 1.00 12.20 N ATOM 545 CD2 HIS A 34 0.873 4.371 -7.632 1.00 61.20 C ATOM 546 CE1 HIS A 34 2.420 3.726 -9.046 1.00 1.15 C ATOM 547 NE2 HIS A 34 1.376 4.521 -8.901 1.00 4.55 N ATOM 0 H HIS A 34 -0.419 3.314 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 34 0.071 1.574 -6.409 1.00 53.20 H new ATOM 0 HB2 HIS A 34 1.414 3.716 -4.911 1.00 42.10 H new ATOM 0 HB3 HIS A 34 2.524 2.437 -5.363 1.00 42.10 H new ATOM 0 HD2 HIS A 34 0.022 4.888 -7.215 1.00 61.20 H new ATOM 0 HE1 HIS A 34 3.022 3.629 -9.938 1.00 1.15 H new ATOM 0 HE2 HIS A 34 1.003 5.146 -9.616 1.00 4.55 H new ATOM 556 N ALA A 35 1.262 0.731 -3.442 1.00 52.20 N ATOM 557 CA ALA A 35 1.793 -0.384 -2.668 1.00 31.40 C ATOM 558 C ALA A 35 0.862 -1.591 -2.725 1.00 43.40 C ATOM 559 O ALA A 35 1.307 -2.735 -2.640 1.00 44.30 O ATOM 560 CB ALA A 35 2.021 0.039 -1.224 1.00 63.20 C ATOM 0 H ALA A 35 1.112 1.584 -2.904 1.00 52.20 H new ATOM 0 HA ALA A 35 2.747 -0.675 -3.108 1.00 31.40 H new ATOM 0 HB1 ALA A 35 2.418 -0.803 -0.657 1.00 63.20 H new ATOM 0 HB2 ALA A 35 2.733 0.864 -1.195 1.00 63.20 H new ATOM 0 HB3 ALA A 35 1.076 0.359 -0.785 1.00 63.20 H new ATOM 566 N VAL A 36 -0.434 -1.328 -2.870 1.00 2.43 N ATOM 567 CA VAL A 36 -1.426 -2.393 -2.937 1.00 22.10 C ATOM 568 C VAL A 36 -1.378 -3.107 -4.284 1.00 13.30 C ATOM 569 O VAL A 36 -1.614 -4.313 -4.367 1.00 4.32 O ATOM 570 CB VAL A 36 -2.850 -1.851 -2.705 1.00 53.30 C ATOM 571 CG1 VAL A 36 -3.851 -2.993 -2.617 1.00 52.40 C ATOM 572 CG2 VAL A 36 -2.900 -0.993 -1.450 1.00 25.40 C ATOM 0 H VAL A 36 -0.820 -0.387 -2.943 1.00 2.43 H new ATOM 0 HA VAL A 36 -1.182 -3.101 -2.145 1.00 22.10 H new ATOM 0 HB VAL A 36 -3.121 -1.226 -3.556 1.00 53.30 H new ATOM 0 HG11 VAL A 36 -4.850 -2.589 -2.453 1.00 52.40 H new ATOM 0 HG12 VAL A 36 -3.837 -3.561 -3.547 1.00 52.40 H new ATOM 0 HG13 VAL A 36 -3.584 -3.648 -1.788 1.00 52.40 H new ATOM 0 HG21 VAL A 36 -3.914 -0.620 -1.304 1.00 25.40 H new ATOM 0 HG22 VAL A 36 -2.606 -1.592 -0.588 1.00 25.40 H new ATOM 0 HG23 VAL A 36 -2.216 -0.151 -1.557 1.00 25.40 H new ATOM 582 N GLU A 37 -1.073 -2.356 -5.338 1.00 61.40 N ATOM 583 CA GLU A 37 -0.996 -2.917 -6.682 1.00 63.30 C ATOM 584 C GLU A 37 0.217 -3.832 -6.823 1.00 55.20 C ATOM 585 O GLU A 37 0.170 -4.836 -7.535 1.00 51.00 O ATOM 586 CB GLU A 37 -0.928 -1.796 -7.722 1.00 64.10 C ATOM 587 CG GLU A 37 -2.290 -1.351 -8.227 1.00 13.00 C ATOM 588 CD GLU A 37 -2.585 -1.852 -9.628 1.00 60.20 C ATOM 589 OE1 GLU A 37 -1.876 -1.436 -10.560 1.00 1.21 O ATOM 590 OE2 GLU A 37 -3.525 -2.658 -9.784 1.00 11.20 O ATOM 0 H GLU A 37 -0.875 -1.357 -5.287 1.00 61.40 H new ATOM 0 HA GLU A 37 -1.895 -3.509 -6.853 1.00 63.30 H new ATOM 0 HB2 GLU A 37 -0.413 -0.939 -7.287 1.00 64.10 H new ATOM 0 HB3 GLU A 37 -0.328 -2.132 -8.568 1.00 64.10 H new ATOM 0 HG2 GLU A 37 -3.061 -1.711 -7.546 1.00 13.00 H new ATOM 0 HG3 GLU A 37 -2.339 -0.262 -8.217 1.00 13.00 H new ATOM 597 N TYR A 38 1.303 -3.478 -6.144 1.00 65.40 N ATOM 598 CA TYR A 38 2.529 -4.266 -6.197 1.00 12.10 C ATOM 599 C TYR A 38 2.360 -5.591 -5.461 1.00 71.20 C ATOM 600 O TYR A 38 2.929 -6.608 -5.856 1.00 14.50 O ATOM 601 CB TYR A 38 3.692 -3.478 -5.591 1.00 35.30 C ATOM 602 CG TYR A 38 4.380 -2.558 -6.574 1.00 71.10 C ATOM 603 CD1 TYR A 38 5.340 -3.042 -7.453 1.00 50.40 C ATOM 604 CD2 TYR A 38 4.070 -1.204 -6.621 1.00 5.32 C ATOM 605 CE1 TYR A 38 5.972 -2.204 -8.353 1.00 70.40 C ATOM 606 CE2 TYR A 38 4.697 -0.360 -7.519 1.00 21.50 C ATOM 607 CZ TYR A 38 5.646 -0.864 -8.381 1.00 22.10 C ATOM 608 OH TYR A 38 6.273 -0.028 -9.275 1.00 64.50 O ATOM 0 H TYR A 38 1.359 -2.650 -5.550 1.00 65.40 H new ATOM 0 HA TYR A 38 2.748 -4.479 -7.243 1.00 12.10 H new ATOM 0 HB2 TYR A 38 3.322 -2.888 -4.753 1.00 35.30 H new ATOM 0 HB3 TYR A 38 4.424 -4.179 -5.189 1.00 35.30 H new ATOM 0 HD1 TYR A 38 5.597 -4.091 -7.433 1.00 50.40 H new ATOM 0 HD2 TYR A 38 3.328 -0.805 -5.946 1.00 5.32 H new ATOM 0 HE1 TYR A 38 6.716 -2.596 -9.030 1.00 70.40 H new ATOM 0 HE2 TYR A 38 4.444 0.690 -7.544 1.00 21.50 H new ATOM 0 HH TYR A 38 5.929 0.883 -9.167 1.00 64.50 H new ATOM 618 N PHE A 39 1.575 -5.572 -4.389 1.00 54.40 N ATOM 619 CA PHE A 39 1.334 -6.773 -3.597 1.00 24.00 C ATOM 620 C PHE A 39 0.489 -7.779 -4.372 1.00 12.30 C ATOM 621 O PHE A 39 0.779 -8.976 -4.376 1.00 61.50 O ATOM 622 CB PHE A 39 0.639 -6.410 -2.283 1.00 33.40 C ATOM 623 CG PHE A 39 1.587 -5.982 -1.201 1.00 52.30 C ATOM 624 CD1 PHE A 39 2.597 -6.829 -0.773 1.00 3.35 C ATOM 625 CD2 PHE A 39 1.471 -4.733 -0.613 1.00 44.10 C ATOM 626 CE1 PHE A 39 3.472 -6.439 0.223 1.00 32.30 C ATOM 627 CE2 PHE A 39 2.343 -4.337 0.383 1.00 3.24 C ATOM 628 CZ PHE A 39 3.345 -5.191 0.801 1.00 24.50 C ATOM 0 H PHE A 39 1.095 -4.739 -4.049 1.00 54.40 H new ATOM 0 HA PHE A 39 2.298 -7.232 -3.377 1.00 24.00 H new ATOM 0 HB2 PHE A 39 -0.074 -5.607 -2.469 1.00 33.40 H new ATOM 0 HB3 PHE A 39 0.067 -7.270 -1.934 1.00 33.40 H new ATOM 0 HD1 PHE A 39 2.701 -7.805 -1.223 1.00 3.35 H new ATOM 0 HD2 PHE A 39 0.690 -4.061 -0.937 1.00 44.10 H new ATOM 0 HE1 PHE A 39 4.254 -7.109 0.549 1.00 32.30 H new ATOM 0 HE2 PHE A 39 2.241 -3.361 0.834 1.00 3.24 H new ATOM 0 HZ PHE A 39 4.028 -4.883 1.579 1.00 24.50 H new ATOM 638 N LEU A 40 -0.557 -7.288 -5.027 1.00 41.30 N ATOM 639 CA LEU A 40 -1.445 -8.146 -5.804 1.00 42.20 C ATOM 640 C LEU A 40 -0.688 -8.836 -6.934 1.00 14.00 C ATOM 641 O LEU A 40 -0.877 -10.020 -7.183 1.00 24.20 O ATOM 642 CB LEU A 40 -2.604 -7.329 -6.376 1.00 73.30 C ATOM 643 CG LEU A 40 -3.819 -7.195 -5.455 1.00 43.20 C ATOM 644 CD1 LEU A 40 -4.807 -6.187 -6.020 1.00 34.00 C ATOM 645 CD2 LEU A 40 -4.487 -8.546 -5.256 1.00 54.30 C ATOM 0 H LEU A 40 -0.811 -6.300 -5.036 1.00 41.30 H new ATOM 0 HA LEU A 40 -1.842 -8.912 -5.138 1.00 42.20 H new ATOM 0 HB2 LEU A 40 -2.240 -6.331 -6.619 1.00 73.30 H new ATOM 0 HB3 LEU A 40 -2.925 -7.788 -7.311 1.00 73.30 H new ATOM 0 HG LEU A 40 -3.479 -6.834 -4.484 1.00 43.20 H new ATOM 0 HD11 LEU A 40 -5.665 -6.105 -5.352 1.00 34.00 H new ATOM 0 HD12 LEU A 40 -4.323 -5.215 -6.111 1.00 34.00 H new ATOM 0 HD13 LEU A 40 -5.143 -6.518 -7.003 1.00 34.00 H new ATOM 0 HD21 LEU A 40 -5.349 -8.432 -4.599 1.00 54.30 H new ATOM 0 HD22 LEU A 40 -4.815 -8.935 -6.220 1.00 54.30 H new ATOM 0 HD23 LEU A 40 -3.777 -9.240 -4.807 1.00 54.30 H new ATOM 657 N HIS A 41 0.166 -8.082 -7.617 1.00 11.10 N ATOM 658 CA HIS A 41 0.948 -8.622 -8.723 1.00 61.10 C ATOM 659 C HIS A 41 2.010 -9.595 -8.221 1.00 2.02 C ATOM 660 O HIS A 41 2.380 -10.540 -8.918 1.00 72.10 O ATOM 661 CB HIS A 41 1.609 -7.489 -9.510 1.00 24.30 C ATOM 662 CG HIS A 41 2.232 -7.936 -10.790 1.00 35.20 C ATOM 663 ND1 HIS A 41 1.847 -7.448 -12.020 1.00 20.30 N ATOM 664 CD2 HIS A 41 3.218 -8.832 -11.030 1.00 74.40 C ATOM 665 CE1 HIS A 41 2.569 -8.027 -12.970 1.00 21.30 C ATOM 666 NE2 HIS A 41 3.408 -8.869 -12.390 1.00 5.02 N ATOM 0 H HIS A 41 0.334 -7.095 -7.424 1.00 11.10 H new ATOM 0 HA HIS A 41 0.269 -9.165 -9.380 1.00 61.10 H new ATOM 0 HB2 HIS A 41 0.863 -6.724 -9.726 1.00 24.30 H new ATOM 0 HB3 HIS A 41 2.372 -7.022 -8.887 1.00 24.30 H new ATOM 0 HD2 HIS A 41 3.754 -9.409 -10.291 1.00 74.40 H new ATOM 0 HE1 HIS A 41 2.486 -7.843 -14.031 1.00 21.30 H new ATOM 0 HE2 HIS A 41 4.088 -9.453 -12.876 1.00 5.02 H new ATOM 675 N ALA A 42 2.501 -9.355 -7.010 1.00 43.30 N ATOM 676 CA ALA A 42 3.524 -10.210 -6.417 1.00 75.30 C ATOM 677 C ALA A 42 2.975 -11.600 -6.116 1.00 32.30 C ATOM 678 O ALA A 42 3.623 -12.600 -6.398 1.00 43.00 O ATOM 679 CB ALA A 42 4.073 -9.573 -5.150 1.00 21.10 C ATOM 0 H ALA A 42 2.208 -8.576 -6.420 1.00 43.30 H new ATOM 0 HA ALA A 42 4.334 -10.318 -7.139 1.00 75.30 H new ATOM 0 HB1 ALA A 42 4.835 -10.221 -4.718 1.00 21.10 H new ATOM 0 HB2 ALA A 42 4.513 -8.605 -5.391 1.00 21.10 H new ATOM 0 HB3 ALA A 42 3.264 -9.435 -4.432 1.00 21.10 H new ATOM 685 N ILE A 43 1.779 -11.640 -5.540 1.00 42.20 N ATOM 686 CA ILE A 43 1.146 -12.910 -5.198 1.00 50.20 C ATOM 687 C ILE A 43 0.784 -13.710 -6.450 1.00 0.31 C ATOM 688 O ILE A 43 1.075 -14.900 -6.546 1.00 5.42 O ATOM 689 CB ILE A 43 -0.127 -12.700 -4.355 1.00 34.30 C ATOM 690 CG1 ILE A 43 0.169 -11.780 -3.167 1.00 2.42 C ATOM 691 CG2 ILE A 43 -0.677 -14.030 -3.872 1.00 3.54 C ATOM 692 CD1 ILE A 43 -0.957 -10.820 -2.852 1.00 1.25 C ATOM 0 H ILE A 43 1.230 -10.814 -5.301 1.00 42.20 H new ATOM 0 HA ILE A 43 1.875 -13.470 -4.612 1.00 50.20 H new ATOM 0 HB ILE A 43 -0.882 -12.227 -4.983 1.00 34.30 H new ATOM 0 HG12 ILE A 43 0.372 -12.390 -2.287 1.00 2.42 H new ATOM 0 HG13 ILE A 43 1.074 -11.210 -3.376 1.00 2.42 H new ATOM 0 HG21 ILE A 43 -1.575 -13.858 -3.279 1.00 3.54 H new ATOM 0 HG22 ILE A 43 -0.923 -14.655 -4.730 1.00 3.54 H new ATOM 0 HG23 ILE A 43 0.072 -14.532 -3.259 1.00 3.54 H new ATOM 0 HD11 ILE A 43 -0.679 -10.200 -2.000 1.00 1.25 H new ATOM 0 HD12 ILE A 43 -1.146 -10.185 -3.717 1.00 1.25 H new ATOM 0 HD13 ILE A 43 -1.859 -11.383 -2.611 1.00 1.25 H new ATOM 704 N LYS A 44 0.145 -13.040 -7.405 1.00 61.30 N ATOM 705 CA LYS A 44 -0.260 -13.680 -8.649 1.00 74.50 C ATOM 706 C LYS A 44 0.944 -14.260 -9.388 1.00 40.50 C ATOM 707 O LYS A 44 0.937 -15.420 -9.796 1.00 73.20 O ATOM 708 CB LYS A 44 -0.995 -12.690 -9.548 1.00 3.44 C ATOM 709 CG LYS A 44 -2.174 -13.290 -10.290 1.00 74.50 C ATOM 710 CD LYS A 44 -2.446 -12.560 -11.590 1.00 34.20 C ATOM 711 CE LYS A 44 -3.573 -11.550 -11.440 1.00 75.00 C ATOM 712 NZ LYS A 44 -3.731 -10.700 -12.650 1.00 54.40 N ATOM 0 H LYS A 44 -0.103 -12.053 -7.339 1.00 61.30 H new ATOM 0 HA LYS A 44 -0.935 -14.498 -8.396 1.00 74.50 H new ATOM 0 HB2 LYS A 44 -1.347 -11.856 -8.941 1.00 3.44 H new ATOM 0 HB3 LYS A 44 -0.291 -12.282 -10.274 1.00 3.44 H new ATOM 0 HG2 LYS A 44 -1.977 -14.342 -10.497 1.00 74.50 H new ATOM 0 HG3 LYS A 44 -3.061 -13.250 -9.658 1.00 74.50 H new ATOM 0 HD2 LYS A 44 -1.540 -12.049 -11.918 1.00 34.20 H new ATOM 0 HD3 LYS A 44 -2.704 -13.281 -12.366 1.00 34.20 H new ATOM 0 HE2 LYS A 44 -4.507 -12.077 -11.244 1.00 75.00 H new ATOM 0 HE3 LYS A 44 -3.377 -10.916 -10.576 1.00 75.00 H new ATOM 0 HZ1 LYS A 44 -4.510 -10.027 -12.502 1.00 54.40 H new ATOM 0 HZ2 LYS A 44 -2.849 -10.176 -12.824 1.00 54.40 H new ATOM 0 HZ3 LYS A 44 -3.944 -11.301 -13.471 1.00 54.40 H new ATOM 726 N TYR A 45 1.976 -13.440 -9.560 1.00 42.20 N ATOM 727 CA TYR A 45 3.185 -13.870 -10.250 1.00 21.50 C ATOM 728 C TYR A 45 4.065 -14.720 -9.347 1.00 51.00 C ATOM 729 O TYR A 45 4.289 -15.900 -9.614 1.00 4.12 O ATOM 730 CB TYR A 45 3.970 -12.650 -10.750 1.00 12.30 C ATOM 731 CG TYR A 45 3.588 -12.220 -12.140 1.00 41.10 C ATOM 732 CD1 TYR A 45 2.275 -11.880 -12.450 1.00 13.20 C ATOM 733 CD2 TYR A 45 4.540 -12.140 -13.150 1.00 72.00 C ATOM 734 CE1 TYR A 45 1.923 -11.480 -13.730 1.00 14.20 C ATOM 735 CE2 TYR A 45 4.194 -11.740 -14.430 1.00 71.00 C ATOM 736 CZ TYR A 45 2.885 -11.410 -14.710 1.00 2.23 C ATOM 737 OH TYR A 45 2.538 -11.010 -15.980 1.00 45.30 O ATOM 0 H TYR A 45 1.998 -12.475 -9.231 1.00 42.20 H new ATOM 0 HA TYR A 45 2.886 -14.480 -11.102 1.00 21.50 H new ATOM 0 HB2 TYR A 45 3.810 -11.818 -10.064 1.00 12.30 H new ATOM 0 HB3 TYR A 45 5.035 -12.880 -10.729 1.00 12.30 H new ATOM 0 HD1 TYR A 45 1.518 -11.928 -11.681 1.00 13.20 H new ATOM 0 HD2 TYR A 45 5.567 -12.394 -12.933 1.00 72.00 H new ATOM 0 HE1 TYR A 45 0.898 -11.225 -13.956 1.00 14.20 H new ATOM 0 HE2 TYR A 45 4.945 -11.687 -15.204 1.00 71.00 H new ATOM 0 HH TYR A 45 3.333 -11.013 -16.553 1.00 45.30 H new ATOM 747 N GLU A 46 4.563 -14.120 -8.273 1.00 41.10 N ATOM 748 CA GLU A 46 5.422 -14.820 -7.329 1.00 4.41 C ATOM 749 C GLU A 46 4.628 -15.290 -6.111 1.00 74.30 C ATOM 750 O GLU A 46 4.492 -14.560 -5.131 1.00 65.20 O ATOM 751 CB GLU A 46 6.576 -13.920 -6.886 1.00 43.40 C ATOM 752 CG GLU A 46 7.716 -13.860 -7.889 1.00 53.40 C ATOM 753 CD GLU A 46 9.075 -14.040 -7.242 1.00 35.10 C ATOM 754 OE1 GLU A 46 9.354 -15.150 -6.744 1.00 13.40 O ATOM 755 OE2 GLU A 46 9.861 -13.060 -7.234 1.00 54.30 O ATOM 0 H GLU A 46 4.385 -13.145 -8.034 1.00 41.10 H new ATOM 0 HA GLU A 46 5.830 -15.696 -7.833 1.00 4.41 H new ATOM 0 HB2 GLU A 46 6.197 -12.912 -6.718 1.00 43.40 H new ATOM 0 HB3 GLU A 46 6.961 -14.279 -5.931 1.00 43.40 H new ATOM 0 HG2 GLU A 46 7.572 -14.634 -8.643 1.00 53.40 H new ATOM 0 HG3 GLU A 46 7.689 -12.901 -8.407 1.00 53.40 H new ATOM 762 N ALA A 47 4.110 -16.510 -6.181 1.00 53.40 N ATOM 763 CA ALA A 47 3.332 -17.070 -5.084 1.00 45.40 C ATOM 764 C ALA A 47 4.229 -17.830 -4.108 1.00 3.23 C ATOM 765 O ALA A 47 5.244 -18.400 -4.500 1.00 33.40 O ATOM 766 CB ALA A 47 2.247 -17.990 -5.624 1.00 4.10 C ATOM 0 H ALA A 47 4.215 -17.129 -6.985 1.00 53.40 H new ATOM 0 HA ALA A 47 2.864 -16.246 -4.545 1.00 45.40 H new ATOM 0 HB1 ALA A 47 1.673 -18.402 -4.794 1.00 4.10 H new ATOM 0 HB2 ALA A 47 1.584 -17.425 -6.279 1.00 4.10 H new ATOM 0 HB3 ALA A 47 2.706 -18.803 -6.186 1.00 4.10 H new ATOM 772 N HIS A 48 3.847 -17.820 -2.835 1.00 32.50 N ATOM 773 CA HIS A 48 4.618 -18.500 -1.802 1.00 21.00 C ATOM 774 C HIS A 48 3.727 -19.430 -0.987 1.00 2.32 C ATOM 775 O HIS A 48 2.588 -19.710 -1.366 1.00 52.30 O ATOM 776 CB HIS A 48 5.294 -17.480 -0.884 1.00 42.30 C ATOM 777 CG HIS A 48 6.787 -17.480 -0.984 1.00 13.00 C ATOM 778 ND1 HIS A 48 7.588 -18.360 -0.282 1.00 12.10 N ATOM 779 CD2 HIS A 48 7.629 -16.710 -1.711 1.00 34.10 C ATOM 780 CE1 HIS A 48 8.856 -18.120 -0.572 1.00 41.10 C ATOM 781 NE2 HIS A 48 8.908 -17.130 -1.437 1.00 70.30 N ATOM 0 H HIS A 48 3.009 -17.349 -2.495 1.00 32.50 H new ATOM 0 HA HIS A 48 5.387 -19.099 -2.290 1.00 21.00 H new ATOM 0 HB2 HIS A 48 4.922 -16.484 -1.125 1.00 42.30 H new ATOM 0 HB3 HIS A 48 5.007 -17.686 0.147 1.00 42.30 H new ATOM 0 HD2 HIS A 48 7.348 -15.912 -2.383 1.00 34.10 H new ATOM 0 HE1 HIS A 48 9.706 -18.648 -0.167 1.00 41.10 H new ATOM 0 HE2 HIS A 48 9.760 -16.738 -1.839 1.00 70.30 H new ATOM 790 N SER A 49 4.252 -19.920 0.133 1.00 33.20 N ATOM 791 CA SER A 49 3.504 -20.820 1.000 1.00 23.40 C ATOM 792 C SER A 49 2.265 -20.130 1.564 1.00 42.30 C ATOM 793 O SER A 49 2.113 -18.920 1.449 1.00 34.20 O ATOM 794 CB SER A 49 4.392 -21.320 2.144 1.00 44.20 C ATOM 795 OG SER A 49 5.031 -22.530 1.804 1.00 2.41 O ATOM 0 H SER A 49 5.194 -19.707 0.460 1.00 33.20 H new ATOM 0 HA SER A 49 3.181 -21.673 0.403 1.00 23.40 H new ATOM 0 HB2 SER A 49 5.141 -20.565 2.383 1.00 44.20 H new ATOM 0 HB3 SER A 49 3.788 -21.464 3.040 1.00 44.20 H new ATOM 0 HG SER A 49 5.592 -22.825 2.551 1.00 2.41 H new ATOM 801 N ASP A 50 1.382 -20.920 2.170 1.00 1.03 N ATOM 802 CA ASP A 50 0.155 -20.380 2.752 1.00 70.20 C ATOM 803 C ASP A 50 0.464 -19.330 3.813 1.00 65.50 C ATOM 804 O ASP A 50 -0.289 -18.380 3.990 1.00 54.10 O ATOM 805 CB ASP A 50 -0.677 -21.520 3.363 1.00 14.40 C ATOM 806 CG ASP A 50 -2.147 -21.410 3.004 1.00 41.40 C ATOM 807 OD1 ASP A 50 -2.523 -21.870 1.904 1.00 42.10 O ATOM 808 OD2 ASP A 50 -2.921 -20.870 3.822 1.00 1.45 O ATOM 0 H ASP A 50 1.491 -21.929 2.271 1.00 1.03 H new ATOM 0 HA ASP A 50 -0.417 -19.899 1.959 1.00 70.20 H new ATOM 0 HB2 ASP A 50 -0.290 -22.478 3.015 1.00 14.40 H new ATOM 0 HB3 ASP A 50 -0.567 -21.507 4.447 1.00 14.40 H new ATOM 813 N LYS A 51 1.578 -19.520 4.514 1.00 34.10 N ATOM 814 CA LYS A 51 1.987 -18.590 5.558 1.00 11.10 C ATOM 815 C LYS A 51 2.311 -17.220 4.969 1.00 72.10 C ATOM 816 O LYS A 51 1.830 -16.190 5.453 1.00 62.30 O ATOM 817 CB LYS A 51 3.204 -19.130 6.308 1.00 55.20 C ATOM 818 CG LYS A 51 3.533 -18.370 7.577 1.00 22.20 C ATOM 819 CD LYS A 51 4.858 -18.810 8.172 1.00 71.40 C ATOM 820 CE LYS A 51 5.461 -17.740 9.065 1.00 31.40 C ATOM 821 NZ LYS A 51 6.348 -18.320 10.110 1.00 34.40 N ATOM 0 H LYS A 51 2.211 -20.308 4.378 1.00 34.10 H new ATOM 0 HA LYS A 51 1.157 -18.483 6.256 1.00 11.10 H new ATOM 0 HB2 LYS A 51 3.029 -20.176 6.558 1.00 55.20 H new ATOM 0 HB3 LYS A 51 4.069 -19.101 5.645 1.00 55.20 H new ATOM 0 HG2 LYS A 51 3.568 -17.302 7.362 1.00 22.20 H new ATOM 0 HG3 LYS A 51 2.738 -18.522 8.308 1.00 22.20 H new ATOM 0 HD2 LYS A 51 4.712 -19.724 8.748 1.00 71.40 H new ATOM 0 HD3 LYS A 51 5.555 -19.048 7.369 1.00 71.40 H new ATOM 0 HE2 LYS A 51 6.030 -17.038 8.456 1.00 31.40 H new ATOM 0 HE3 LYS A 51 4.661 -17.173 9.542 1.00 31.40 H new ATOM 0 HZ1 LYS A 51 6.739 -17.556 10.697 1.00 34.40 H new ATOM 0 HZ2 LYS A 51 5.800 -18.971 10.708 1.00 34.40 H new ATOM 0 HZ3 LYS A 51 7.126 -18.839 9.656 1.00 34.40 H new ATOM 835 N ALA A 52 3.132 -17.200 3.923 1.00 31.30 N ATOM 836 CA ALA A 52 3.522 -15.960 3.270 1.00 22.50 C ATOM 837 C ALA A 52 2.377 -15.390 2.441 1.00 71.30 C ATOM 838 O ALA A 52 2.257 -14.180 2.282 1.00 5.35 O ATOM 839 CB ALA A 52 4.748 -16.190 2.397 1.00 62.40 C ATOM 0 H ALA A 52 3.542 -18.037 3.509 1.00 31.30 H new ATOM 0 HA ALA A 52 3.770 -15.232 4.043 1.00 22.50 H new ATOM 0 HB1 ALA A 52 5.031 -15.255 1.913 1.00 62.40 H new ATOM 0 HB2 ALA A 52 5.574 -16.543 3.015 1.00 62.40 H new ATOM 0 HB3 ALA A 52 4.519 -16.937 1.637 1.00 62.40 H new ATOM 845 N LYS A 53 1.538 -16.270 1.912 1.00 73.00 N ATOM 846 CA LYS A 53 0.402 -15.860 1.098 1.00 2.14 C ATOM 847 C LYS A 53 -0.682 -15.220 1.959 1.00 3.04 C ATOM 848 O LYS A 53 -1.368 -14.290 1.525 1.00 52.10 O ATOM 849 CB LYS A 53 -0.175 -17.060 0.342 1.00 15.10 C ATOM 850 CG LYS A 53 -0.711 -16.700 -1.036 1.00 4.52 C ATOM 851 CD LYS A 53 -1.167 -17.940 -1.790 1.00 60.30 C ATOM 852 CE LYS A 53 -2.677 -18.110 -1.734 1.00 62.40 C ATOM 853 NZ LYS A 53 -3.231 -18.600 -3.023 1.00 64.30 N ATOM 0 H LYS A 53 1.624 -17.279 2.033 1.00 73.00 H new ATOM 0 HA LYS A 53 0.754 -15.121 0.378 1.00 2.14 H new ATOM 0 HB2 LYS A 53 0.599 -17.821 0.236 1.00 15.10 H new ATOM 0 HB3 LYS A 53 -0.978 -17.502 0.933 1.00 15.10 H new ATOM 0 HG2 LYS A 53 -1.545 -16.006 -0.935 1.00 4.52 H new ATOM 0 HG3 LYS A 53 0.063 -16.188 -1.608 1.00 4.52 H new ATOM 0 HD2 LYS A 53 -0.847 -17.872 -2.830 1.00 60.30 H new ATOM 0 HD3 LYS A 53 -0.686 -18.821 -1.366 1.00 60.30 H new ATOM 0 HE2 LYS A 53 -2.934 -18.811 -0.940 1.00 62.40 H new ATOM 0 HE3 LYS A 53 -3.140 -17.156 -1.480 1.00 62.40 H new ATOM 0 HZ1 LYS A 53 -4.263 -18.702 -2.941 1.00 64.30 H new ATOM 0 HZ2 LYS A 53 -3.009 -17.919 -3.777 1.00 64.30 H new ATOM 0 HZ3 LYS A 53 -2.809 -19.522 -3.254 1.00 64.30 H new ATOM 867 N GLU A 54 -0.830 -15.720 3.181 1.00 13.40 N ATOM 868 CA GLU A 54 -1.832 -15.200 4.104 1.00 43.40 C ATOM 869 C GLU A 54 -1.443 -13.810 4.609 1.00 4.42 C ATOM 870 O GLU A 54 -2.284 -12.920 4.712 1.00 72.20 O ATOM 871 CB GLU A 54 -2.011 -16.150 5.285 1.00 24.30 C ATOM 872 CG GLU A 54 -3.229 -17.050 5.156 1.00 34.50 C ATOM 873 CD GLU A 54 -3.583 -17.740 6.458 1.00 61.40 C ATOM 874 OE1 GLU A 54 -2.972 -18.790 6.760 1.00 32.40 O ATOM 875 OE2 GLU A 54 -4.470 -17.240 7.177 1.00 15.30 O ATOM 0 H GLU A 54 -0.269 -16.485 3.555 1.00 13.40 H new ATOM 0 HA GLU A 54 -2.776 -15.120 3.565 1.00 43.40 H new ATOM 0 HB2 GLU A 54 -1.119 -16.769 5.382 1.00 24.30 H new ATOM 0 HB3 GLU A 54 -2.095 -15.566 6.202 1.00 24.30 H new ATOM 0 HG2 GLU A 54 -4.080 -16.458 4.820 1.00 34.50 H new ATOM 0 HG3 GLU A 54 -3.041 -17.802 4.390 1.00 34.50 H new ATOM 882 N SER A 55 -0.163 -13.630 4.923 1.00 21.20 N ATOM 883 CA SER A 55 0.336 -12.360 5.419 1.00 12.00 C ATOM 884 C SER A 55 0.113 -11.250 4.398 1.00 71.30 C ATOM 885 O SER A 55 -0.323 -10.150 4.745 1.00 12.20 O ATOM 886 CB SER A 55 1.824 -12.470 5.755 1.00 61.20 C ATOM 887 OG SER A 55 2.025 -13.150 6.977 1.00 40.10 O ATOM 0 H SER A 55 0.549 -14.356 4.840 1.00 21.20 H new ATOM 0 HA SER A 55 -0.217 -12.110 6.325 1.00 12.00 H new ATOM 0 HB2 SER A 55 2.342 -12.997 4.954 1.00 61.20 H new ATOM 0 HB3 SER A 55 2.260 -11.473 5.815 1.00 61.20 H new ATOM 0 HG SER A 55 2.985 -13.207 7.166 1.00 40.10 H new ATOM 893 N ILE A 56 0.415 -11.540 3.137 1.00 35.10 N ATOM 894 CA ILE A 56 0.248 -10.560 2.066 1.00 74.10 C ATOM 895 C ILE A 56 -1.229 -10.320 1.769 1.00 4.23 C ATOM 896 O ILE A 56 -1.669 -9.183 1.644 1.00 5.14 O ATOM 897 CB ILE A 56 0.955 -11.020 0.774 1.00 32.00 C ATOM 898 CG1 ILE A 56 2.401 -11.420 1.072 1.00 74.00 C ATOM 899 CG2 ILE A 56 0.912 -9.921 -0.273 1.00 60.50 C ATOM 900 CD1 ILE A 56 2.966 -12.420 0.081 1.00 12.20 C ATOM 0 H ILE A 56 0.776 -12.443 2.830 1.00 35.10 H new ATOM 0 HA ILE A 56 0.701 -9.630 2.409 1.00 74.10 H new ATOM 0 HB ILE A 56 0.430 -11.891 0.382 1.00 32.00 H new ATOM 0 HG12 ILE A 56 3.025 -10.526 1.071 1.00 74.00 H new ATOM 0 HG13 ILE A 56 2.454 -11.844 2.075 1.00 74.00 H new ATOM 0 HG21 ILE A 56 1.415 -10.261 -1.178 1.00 60.50 H new ATOM 0 HG22 ILE A 56 -0.125 -9.678 -0.503 1.00 60.50 H new ATOM 0 HG23 ILE A 56 1.416 -9.034 0.110 1.00 60.50 H new ATOM 0 HD11 ILE A 56 3.994 -12.659 0.352 1.00 12.20 H new ATOM 0 HD12 ILE A 56 2.365 -13.329 0.099 1.00 12.20 H new ATOM 0 HD13 ILE A 56 2.945 -11.991 -0.921 1.00 12.20 H new ATOM 912 N ARG A 57 -1.988 -11.410 1.653 1.00 75.50 N ATOM 913 CA ARG A 57 -3.415 -11.320 1.368 1.00 52.20 C ATOM 914 C ARG A 57 -4.139 -10.510 2.443 1.00 12.40 C ATOM 915 O ARG A 57 -4.939 -9.629 2.135 1.00 24.30 O ATOM 916 CB ARG A 57 -4.024 -12.710 1.269 1.00 12.30 C ATOM 917 CG ARG A 57 -5.283 -12.770 0.418 1.00 34.00 C ATOM 918 CD ARG A 57 -4.985 -13.280 -0.985 1.00 45.40 C ATOM 919 NE ARG A 57 -6.192 -13.360 -1.804 1.00 74.00 N ATOM 920 CZ ARG A 57 -6.761 -12.310 -2.395 1.00 21.00 C ATOM 921 NH1 ARG A 57 -6.239 -11.100 -2.259 1.00 43.40 N ATOM 922 NH2 ARG A 57 -7.856 -12.480 -3.124 1.00 1.53 N ATOM 0 H ARG A 57 -1.637 -12.362 1.752 1.00 75.50 H new ATOM 0 HA ARG A 57 -3.535 -10.809 0.413 1.00 52.20 H new ATOM 0 HB2 ARG A 57 -3.283 -13.392 0.853 1.00 12.30 H new ATOM 0 HB3 ARG A 57 -4.258 -13.066 2.272 1.00 12.30 H new ATOM 0 HG2 ARG A 57 -6.015 -13.422 0.895 1.00 34.00 H new ATOM 0 HG3 ARG A 57 -5.730 -11.778 0.358 1.00 34.00 H new ATOM 0 HD2 ARG A 57 -4.263 -12.619 -1.466 1.00 45.40 H new ATOM 0 HD3 ARG A 57 -4.523 -14.265 -0.922 1.00 45.40 H new ATOM 0 HE ARG A 57 -6.625 -14.275 -1.931 1.00 74.00 H new ATOM 0 HH11 ARG A 57 -5.397 -10.968 -1.699 1.00 43.40 H new ATOM 0 HH12 ARG A 57 -6.679 -10.300 -2.714 1.00 43.40 H new ATOM 0 HH21 ARG A 57 -8.259 -13.411 -3.230 1.00 1.53 H new ATOM 0 HH22 ARG A 57 -8.295 -11.680 -3.578 1.00 1.53 H new ATOM 936 N ALA A 58 -3.855 -10.820 3.702 1.00 33.40 N ATOM 937 CA ALA A 58 -4.481 -10.130 4.821 1.00 30.10 C ATOM 938 C ALA A 58 -4.031 -8.675 4.888 1.00 50.10 C ATOM 939 O ALA A 58 -4.774 -7.806 5.345 1.00 53.10 O ATOM 940 CB ALA A 58 -4.164 -10.840 6.127 1.00 41.30 C ATOM 0 H ALA A 58 -3.193 -11.547 3.973 1.00 33.40 H new ATOM 0 HA ALA A 58 -5.560 -10.146 4.665 1.00 30.10 H new ATOM 0 HB1 ALA A 58 -4.639 -10.311 6.953 1.00 41.30 H new ATOM 0 HB2 ALA A 58 -4.540 -11.862 6.086 1.00 41.30 H new ATOM 0 HB3 ALA A 58 -3.085 -10.856 6.280 1.00 41.30 H new ATOM 946 N LYS A 59 -2.810 -8.415 4.433 1.00 23.00 N ATOM 947 CA LYS A 59 -2.261 -7.064 4.444 1.00 21.30 C ATOM 948 C LYS A 59 -2.949 -6.185 3.404 1.00 51.40 C ATOM 949 O LYS A 59 -3.154 -4.992 3.622 1.00 74.00 O ATOM 950 CB LYS A 59 -0.754 -7.101 4.182 1.00 34.20 C ATOM 951 CG LYS A 59 0.085 -7.040 5.449 1.00 65.50 C ATOM 952 CD LYS A 59 1.566 -6.923 5.131 1.00 30.30 C ATOM 953 CE LYS A 59 2.417 -7.630 6.173 1.00 24.30 C ATOM 954 NZ LYS A 59 2.756 -9.021 5.763 1.00 73.00 N ATOM 0 H LYS A 59 -2.182 -9.122 4.052 1.00 23.00 H new ATOM 0 HA LYS A 59 -2.441 -6.635 5.430 1.00 21.30 H new ATOM 0 HB2 LYS A 59 -0.510 -8.014 3.638 1.00 34.20 H new ATOM 0 HB3 LYS A 59 -0.485 -6.264 3.537 1.00 34.20 H new ATOM 0 HG2 LYS A 59 -0.227 -6.188 6.053 1.00 65.50 H new ATOM 0 HG3 LYS A 59 -0.090 -7.935 6.046 1.00 65.50 H new ATOM 0 HD2 LYS A 59 1.763 -7.351 4.148 1.00 30.30 H new ATOM 0 HD3 LYS A 59 1.847 -5.871 5.083 1.00 30.30 H new ATOM 0 HE2 LYS A 59 3.335 -7.066 6.335 1.00 24.30 H new ATOM 0 HE3 LYS A 59 1.884 -7.652 7.123 1.00 24.30 H new ATOM 0 HZ1 LYS A 59 2.996 -9.582 6.605 1.00 73.00 H new ATOM 0 HZ2 LYS A 59 1.940 -9.450 5.282 1.00 73.00 H new ATOM 0 HZ3 LYS A 59 3.569 -9.003 5.115 1.00 73.00 H new ATOM 968 N CYS A 60 -3.304 -6.783 2.271 1.00 44.30 N ATOM 969 CA CYS A 60 -3.968 -6.054 1.196 1.00 52.10 C ATOM 970 C CYS A 60 -5.352 -5.579 1.629 1.00 11.30 C ATOM 971 O CYS A 60 -5.799 -4.502 1.238 1.00 3.30 O ATOM 972 CB CYS A 60 -4.085 -6.933 -0.050 1.00 51.30 C ATOM 973 SG CYS A 60 -2.503 -7.302 -0.845 1.00 60.20 S ATOM 0 H CYS A 60 -3.143 -7.771 2.074 1.00 44.30 H new ATOM 0 HA CYS A 60 -3.362 -5.179 0.960 1.00 52.10 H new ATOM 0 HB2 CYS A 60 -4.569 -7.870 0.224 1.00 51.30 H new ATOM 0 HB3 CYS A 60 -4.735 -6.438 -0.771 1.00 51.30 H new ATOM 0 HG CYS A 60 -1.812 -8.101 -0.087 1.00 60.20 H new ATOM 979 N VAL A 61 -6.026 -6.393 2.435 1.00 32.50 N ATOM 980 CA VAL A 61 -7.360 -6.058 2.917 1.00 25.20 C ATOM 981 C VAL A 61 -7.329 -4.831 3.823 1.00 13.10 C ATOM 982 O VAL A 61 -8.103 -3.892 3.639 1.00 41.00 O ATOM 983 CB VAL A 61 -7.992 -7.235 3.686 1.00 11.30 C ATOM 984 CG1 VAL A 61 -9.437 -6.928 4.045 1.00 22.20 C ATOM 985 CG2 VAL A 61 -7.898 -8.518 2.872 1.00 54.00 C ATOM 0 H VAL A 61 -5.670 -7.289 2.768 1.00 32.50 H new ATOM 0 HA VAL A 61 -7.966 -5.840 2.038 1.00 25.20 H new ATOM 0 HB VAL A 61 -7.436 -7.378 4.612 1.00 11.30 H new ATOM 0 HG11 VAL A 61 -9.864 -7.772 4.587 1.00 22.20 H new ATOM 0 HG12 VAL A 61 -9.475 -6.037 4.672 1.00 22.20 H new ATOM 0 HG13 VAL A 61 -10.009 -6.755 3.134 1.00 22.20 H new ATOM 0 HG21 VAL A 61 -8.349 -9.338 3.431 1.00 54.00 H new ATOM 0 HG22 VAL A 61 -8.426 -8.389 1.927 1.00 54.00 H new ATOM 0 HG23 VAL A 61 -6.851 -8.747 2.674 1.00 54.00 H new ATOM 995 N GLN A 62 -6.432 -4.847 4.803 1.00 72.20 N ATOM 996 CA GLN A 62 -6.302 -3.736 5.739 1.00 24.30 C ATOM 997 C GLN A 62 -5.724 -2.502 5.051 1.00 33.20 C ATOM 998 O GLN A 62 -6.020 -1.370 5.435 1.00 42.40 O ATOM 999 CB GLN A 62 -5.415 -4.138 6.919 1.00 4.31 C ATOM 1000 CG GLN A 62 -5.761 -3.420 8.213 1.00 33.20 C ATOM 1001 CD GLN A 62 -5.957 -4.375 9.376 1.00 25.30 C ATOM 1002 OE1 GLN A 62 -5.043 -4.603 10.166 1.00 63.30 O ATOM 1003 NE2 GLN A 62 -7.155 -4.938 9.484 1.00 51.00 N ATOM 0 H GLN A 62 -5.784 -5.617 4.970 1.00 72.20 H new ATOM 0 HA GLN A 62 -7.298 -3.488 6.107 1.00 24.30 H new ATOM 0 HB2 GLN A 62 -5.499 -5.213 7.076 1.00 4.31 H new ATOM 0 HB3 GLN A 62 -4.375 -3.933 6.667 1.00 4.31 H new ATOM 0 HG2 GLN A 62 -4.966 -2.715 8.457 1.00 33.20 H new ATOM 0 HG3 GLN A 62 -6.671 -2.837 8.069 1.00 33.20 H new ATOM 0 HE21 GLN A 62 -7.884 -4.719 8.805 1.00 51.00 H new ATOM 0 HE22 GLN A 62 -7.346 -5.589 10.246 1.00 51.00 H new ATOM 1012 N TYR A 63 -4.898 -2.727 4.034 1.00 25.20 N ATOM 1013 CA TYR A 63 -4.279 -1.632 3.296 1.00 1.31 C ATOM 1014 C TYR A 63 -5.314 -0.878 2.466 1.00 52.00 C ATOM 1015 O TYR A 63 -5.233 0.341 2.315 1.00 11.50 O ATOM 1016 CB TYR A 63 -3.170 -2.166 2.387 1.00 22.50 C ATOM 1017 CG TYR A 63 -1.819 -2.248 3.061 1.00 12.50 C ATOM 1018 CD1 TYR A 63 -1.332 -1.189 3.817 1.00 14.40 C ATOM 1019 CD2 TYR A 63 -1.032 -3.386 2.943 1.00 5.11 C ATOM 1020 CE1 TYR A 63 -0.098 -1.261 4.435 1.00 65.00 C ATOM 1021 CE2 TYR A 63 0.203 -3.466 3.558 1.00 42.10 C ATOM 1022 CZ TYR A 63 0.665 -2.401 4.303 1.00 75.40 C ATOM 1023 OH TYR A 63 1.895 -2.477 4.917 1.00 21.50 O ATOM 0 H TYR A 63 -4.642 -3.657 3.702 1.00 25.20 H new ATOM 0 HA TYR A 63 -3.847 -0.940 4.018 1.00 1.31 H new ATOM 0 HB2 TYR A 63 -3.450 -3.158 2.031 1.00 22.50 H new ATOM 0 HB3 TYR A 63 -3.090 -1.524 1.510 1.00 22.50 H new ATOM 0 HD1 TYR A 63 -1.928 -0.295 3.924 1.00 14.40 H new ATOM 0 HD2 TYR A 63 -1.391 -4.222 2.361 1.00 5.11 H new ATOM 0 HE1 TYR A 63 0.266 -0.428 5.018 1.00 65.00 H new ATOM 0 HE2 TYR A 63 0.803 -4.358 3.456 1.00 42.10 H new ATOM 0 HH TYR A 63 2.303 -3.347 4.725 1.00 21.50 H new ATOM 1033 N LEU A 64 -6.283 -1.611 1.929 1.00 24.40 N ATOM 1034 CA LEU A 64 -7.332 -1.011 1.113 1.00 31.20 C ATOM 1035 C LEU A 64 -8.320 -0.230 1.975 1.00 23.30 C ATOM 1036 O LEU A 64 -8.916 0.748 1.522 1.00 44.40 O ATOM 1037 CB LEU A 64 -8.072 -2.093 0.323 1.00 23.40 C ATOM 1038 CG LEU A 64 -7.420 -2.488 -1.003 1.00 62.40 C ATOM 1039 CD1 LEU A 64 -7.638 -3.967 -1.285 1.00 21.30 C ATOM 1040 CD2 LEU A 64 -7.967 -1.639 -2.140 1.00 42.50 C ATOM 0 H LEU A 64 -6.364 -2.621 2.044 1.00 24.40 H new ATOM 0 HA LEU A 64 -6.861 -0.317 0.417 1.00 31.20 H new ATOM 0 HB2 LEU A 64 -8.158 -2.982 0.947 1.00 23.40 H new ATOM 0 HB3 LEU A 64 -9.086 -1.746 0.123 1.00 23.40 H new ATOM 0 HG LEU A 64 -6.348 -2.308 -0.927 1.00 62.40 H new ATOM 0 HD11 LEU A 64 -7.167 -4.230 -2.232 1.00 21.30 H new ATOM 0 HD12 LEU A 64 -7.196 -4.559 -0.484 1.00 21.30 H new ATOM 0 HD13 LEU A 64 -8.707 -4.173 -1.341 1.00 21.30 H new ATOM 0 HD21 LEU A 64 -7.492 -1.934 -3.076 1.00 42.50 H new ATOM 0 HD22 LEU A 64 -9.044 -1.786 -2.218 1.00 42.50 H new ATOM 0 HD23 LEU A 64 -7.758 -0.588 -1.942 1.00 42.50 H new ATOM 1052 N ASP A 65 -8.492 -0.669 3.217 1.00 54.30 N ATOM 1053 CA ASP A 65 -9.410 -0.011 4.140 1.00 55.30 C ATOM 1054 C ASP A 65 -8.928 1.396 4.483 1.00 41.20 C ATOM 1055 O ASP A 65 -9.732 2.304 4.691 1.00 61.40 O ATOM 1056 CB ASP A 65 -9.562 -0.841 5.417 1.00 3.12 C ATOM 1057 CG ASP A 65 -10.940 -1.453 5.548 1.00 35.40 C ATOM 1058 OD1 ASP A 65 -11.510 -1.850 4.511 1.00 61.10 O ATOM 1059 OD2 ASP A 65 -11.450 -1.537 6.685 1.00 12.30 O ATOM 0 H ASP A 65 -8.008 -1.477 3.608 1.00 54.30 H new ATOM 0 HA ASP A 65 -10.381 0.071 3.651 1.00 55.30 H new ATOM 0 HB2 ASP A 65 -8.814 -1.633 5.423 1.00 3.12 H new ATOM 0 HB3 ASP A 65 -9.364 -0.209 6.283 1.00 3.12 H new ATOM 1064 N ARG A 66 -7.611 1.567 4.544 1.00 32.10 N ATOM 1065 CA ARG A 66 -7.024 2.863 4.865 1.00 14.10 C ATOM 1066 C ARG A 66 -7.087 3.805 3.667 1.00 24.10 C ATOM 1067 O ARG A 66 -7.212 5.020 3.824 1.00 34.40 O ATOM 1068 CB ARG A 66 -5.573 2.691 5.319 1.00 41.20 C ATOM 1069 CG ARG A 66 -4.997 3.922 6.000 1.00 25.20 C ATOM 1070 CD ARG A 66 -5.492 4.050 7.431 1.00 40.20 C ATOM 1071 NE ARG A 66 -4.916 3.027 8.302 1.00 12.10 N ATOM 1072 CZ ARG A 66 -3.681 3.081 8.793 1.00 13.40 C ATOM 1073 NH1 ARG A 66 -2.887 4.105 8.502 1.00 64.30 N ATOM 1074 NH2 ARG A 66 -3.236 2.108 9.578 1.00 72.10 N ATOM 0 H ARG A 66 -6.931 0.825 4.376 1.00 32.10 H new ATOM 0 HA ARG A 66 -7.602 3.303 5.678 1.00 14.10 H new ATOM 0 HB2 ARG A 66 -5.514 1.846 6.005 1.00 41.20 H new ATOM 0 HB3 ARG A 66 -4.958 2.443 4.454 1.00 41.20 H new ATOM 0 HG2 ARG A 66 -3.908 3.866 5.994 1.00 25.20 H new ATOM 0 HG3 ARG A 66 -5.274 4.813 5.437 1.00 25.20 H new ATOM 0 HD2 ARG A 66 -5.239 5.038 7.815 1.00 40.20 H new ATOM 0 HD3 ARG A 66 -6.579 3.970 7.447 1.00 40.20 H new ATOM 0 HE ARG A 66 -5.495 2.224 8.548 1.00 12.10 H new ATOM 0 HH11 ARG A 66 -3.223 4.856 7.899 1.00 64.30 H new ATOM 0 HH12 ARG A 66 -1.941 4.141 8.882 1.00 64.30 H new ATOM 0 HH21 ARG A 66 -3.841 1.319 9.805 1.00 72.10 H new ATOM 0 HH22 ARG A 66 -2.289 2.149 9.955 1.00 72.10 H new ATOM 1088 N ALA A 67 -6.998 3.237 2.468 1.00 12.30 N ATOM 1089 CA ALA A 67 -7.042 4.025 1.242 1.00 73.40 C ATOM 1090 C ALA A 67 -8.356 4.790 1.125 1.00 71.30 C ATOM 1091 O ALA A 67 -8.384 5.927 0.655 1.00 12.00 O ATOM 1092 CB ALA A 67 -6.843 3.127 0.031 1.00 15.10 C ATOM 0 H ALA A 67 -6.895 2.233 2.320 1.00 12.30 H new ATOM 0 HA ALA A 67 -6.232 4.753 1.279 1.00 73.40 H new ATOM 0 HB1 ALA A 67 -6.878 3.728 -0.878 1.00 15.10 H new ATOM 0 HB2 ALA A 67 -5.875 2.631 0.101 1.00 15.10 H new ATOM 0 HB3 ALA A 67 -7.633 2.377 0.000 1.00 15.10 H new ATOM 1098 N GLU A 68 -9.444 4.157 1.551 1.00 23.30 N ATOM 1099 CA GLU A 68 -10.760 4.777 1.490 1.00 41.10 C ATOM 1100 C GLU A 68 -10.900 5.862 2.554 1.00 64.30 C ATOM 1101 O GLU A 68 -11.370 6.966 2.269 1.00 43.50 O ATOM 1102 CB GLU A 68 -11.850 3.720 1.671 1.00 62.00 C ATOM 1103 CG GLU A 68 -12.450 3.238 0.362 1.00 73.30 C ATOM 1104 CD GLU A 68 -11.630 2.148 -0.293 1.00 32.40 C ATOM 1105 OE1 GLU A 68 -11.770 0.973 0.110 1.00 41.20 O ATOM 1106 OE2 GLU A 68 -10.840 2.468 -1.210 1.00 4.32 O ATOM 0 H GLU A 68 -9.439 3.215 1.942 1.00 23.30 H new ATOM 0 HA GLU A 68 -10.873 5.241 0.510 1.00 41.10 H new ATOM 0 HB2 GLU A 68 -11.433 2.867 2.206 1.00 62.00 H new ATOM 0 HB3 GLU A 68 -12.643 4.131 2.296 1.00 62.00 H new ATOM 0 HG2 GLU A 68 -13.459 2.867 0.545 1.00 73.30 H new ATOM 0 HG3 GLU A 68 -12.539 4.081 -0.324 1.00 73.30 H new ATOM 1113 N LYS A 69 -10.500 5.541 3.779 1.00 43.00 N ATOM 1114 CA LYS A 69 -10.590 6.487 4.885 1.00 4.11 C ATOM 1115 C LYS A 69 -9.754 7.732 4.616 1.00 2.34 C ATOM 1116 O LYS A 69 -10.070 8.820 5.094 1.00 24.30 O ATOM 1117 CB LYS A 69 -10.140 5.824 6.187 1.00 35.30 C ATOM 1118 CG LYS A 69 -10.390 6.672 7.423 1.00 35.20 C ATOM 1119 CD LYS A 69 -9.171 6.730 8.323 1.00 75.00 C ATOM 1120 CE LYS A 69 -9.556 6.660 9.792 1.00 60.00 C ATOM 1121 NZ LYS A 69 -8.364 6.706 10.682 1.00 22.30 N ATOM 0 H LYS A 69 -10.110 4.633 4.031 1.00 43.00 H new ATOM 0 HA LYS A 69 -11.632 6.792 4.981 1.00 4.11 H new ATOM 0 HB2 LYS A 69 -10.660 4.873 6.299 1.00 35.30 H new ATOM 0 HB3 LYS A 69 -9.075 5.599 6.121 1.00 35.30 H new ATOM 0 HG2 LYS A 69 -10.667 7.682 7.121 1.00 35.20 H new ATOM 0 HG3 LYS A 69 -11.233 6.263 7.980 1.00 35.20 H new ATOM 0 HD2 LYS A 69 -8.501 5.905 8.082 1.00 75.00 H new ATOM 0 HD3 LYS A 69 -8.622 7.652 8.134 1.00 75.00 H new ATOM 0 HE2 LYS A 69 -10.221 7.490 10.033 1.00 60.00 H new ATOM 0 HE3 LYS A 69 -10.112 5.741 9.978 1.00 60.00 H new ATOM 0 HZ1 LYS A 69 -8.670 6.656 11.675 1.00 22.30 H new ATOM 0 HZ2 LYS A 69 -7.741 5.900 10.470 1.00 22.30 H new ATOM 0 HZ3 LYS A 69 -7.847 7.594 10.524 1.00 22.30 H new ATOM 1135 N LEU A 70 -8.682 7.563 3.848 1.00 15.40 N ATOM 1136 CA LEU A 70 -7.795 8.673 3.521 1.00 34.10 C ATOM 1137 C LEU A 70 -8.447 9.622 2.518 1.00 54.40 C ATOM 1138 O LEU A 70 -8.470 10.835 2.722 1.00 70.10 O ATOM 1139 CB LEU A 70 -6.474 8.147 2.956 1.00 51.40 C ATOM 1140 CG LEU A 70 -5.561 7.464 3.974 1.00 53.30 C ATOM 1141 CD1 LEU A 70 -4.550 6.572 3.271 1.00 53.10 C ATOM 1142 CD2 LEU A 70 -4.852 8.502 4.833 1.00 72.30 C ATOM 0 H LEU A 70 -8.407 6.669 3.441 1.00 15.40 H new ATOM 0 HA LEU A 70 -7.598 9.227 4.439 1.00 34.10 H new ATOM 0 HB2 LEU A 70 -6.694 7.440 2.156 1.00 51.40 H new ATOM 0 HB3 LEU A 70 -5.932 8.979 2.505 1.00 51.40 H new ATOM 0 HG LEU A 70 -6.175 6.840 4.623 1.00 53.30 H new ATOM 0 HD11 LEU A 70 -3.909 6.094 4.012 1.00 53.10 H new ATOM 0 HD12 LEU A 70 -5.075 5.807 2.699 1.00 53.10 H new ATOM 0 HD13 LEU A 70 -3.940 7.174 2.598 1.00 53.10 H new ATOM 0 HD21 LEU A 70 -4.206 7.999 5.553 1.00 72.30 H new ATOM 0 HD22 LEU A 70 -4.250 9.151 4.197 1.00 72.30 H new ATOM 0 HD23 LEU A 70 -5.591 9.100 5.366 1.00 72.30 H new ATOM 1154 N LYS A 71 -8.972 9.061 1.433 1.00 31.30 N ATOM 1155 CA LYS A 71 -9.621 9.858 0.398 1.00 22.40 C ATOM 1156 C LYS A 71 -10.890 10.505 0.924 1.00 54.40 C ATOM 1157 O LYS A 71 -11.280 11.591 0.488 1.00 34.30 O ATOM 1158 CB LYS A 71 -9.940 8.988 -0.819 1.00 74.20 C ATOM 1159 CG LYS A 71 -10.810 7.791 -0.497 1.00 10.50 C ATOM 1160 CD LYS A 71 -11.600 7.330 -1.715 1.00 52.00 C ATOM 1161 CE LYS A 71 -10.830 6.289 -2.511 1.00 15.20 C ATOM 1162 NZ LYS A 71 -11.670 5.663 -3.568 1.00 61.20 N ATOM 0 H LYS A 71 -8.961 8.058 1.248 1.00 31.30 H new ATOM 0 HA LYS A 71 -8.933 10.649 0.099 1.00 22.40 H new ATOM 0 HB2 LYS A 71 -10.440 9.599 -1.571 1.00 74.20 H new ATOM 0 HB3 LYS A 71 -9.006 8.640 -1.261 1.00 74.20 H new ATOM 0 HG2 LYS A 71 -10.186 6.973 -0.136 1.00 10.50 H new ATOM 0 HG3 LYS A 71 -11.498 8.047 0.309 1.00 10.50 H new ATOM 0 HD2 LYS A 71 -12.555 6.913 -1.395 1.00 52.00 H new ATOM 0 HD3 LYS A 71 -11.823 8.186 -2.352 1.00 52.00 H new ATOM 0 HE2 LYS A 71 -9.958 6.755 -2.970 1.00 15.20 H new ATOM 0 HE3 LYS A 71 -10.461 5.517 -1.836 1.00 15.20 H new ATOM 0 HZ1 LYS A 71 -11.107 4.959 -4.087 1.00 61.20 H new ATOM 0 HZ2 LYS A 71 -12.489 5.196 -3.129 1.00 61.20 H new ATOM 0 HZ3 LYS A 71 -12.002 6.396 -4.227 1.00 61.20 H new ATOM 1176 N ASP A 72 -11.550 9.829 1.859 1.00 42.00 N ATOM 1177 CA ASP A 72 -12.790 10.338 2.441 1.00 23.10 C ATOM 1178 C ASP A 72 -12.510 11.509 3.378 1.00 12.30 C ATOM 1179 O ASP A 72 -13.350 12.390 3.552 1.00 31.10 O ATOM 1180 CB ASP A 72 -13.520 9.225 3.197 1.00 74.00 C ATOM 1181 CG ASP A 72 -14.440 8.426 2.299 1.00 54.10 C ATOM 1182 OD1 ASP A 72 -14.110 8.250 1.109 1.00 41.20 O ATOM 1183 OD2 ASP A 72 -15.500 7.976 2.787 1.00 21.30 O ATOM 0 H ASP A 72 -11.248 8.928 2.231 1.00 42.00 H new ATOM 0 HA ASP A 72 -13.426 10.690 1.629 1.00 23.10 H new ATOM 0 HB2 ASP A 72 -12.788 8.556 3.650 1.00 74.00 H new ATOM 0 HB3 ASP A 72 -14.099 9.661 4.011 1.00 74.00 H new ATOM 1188 N TYR A 73 -11.330 11.511 3.982 1.00 3.22 N ATOM 1189 CA TYR A 73 -10.940 12.574 4.903 1.00 61.30 C ATOM 1190 C TYR A 73 -10.660 13.875 4.156 1.00 10.30 C ATOM 1191 O TYR A 73 -11.150 14.939 4.542 1.00 32.40 O ATOM 1192 CB TYR A 73 -9.711 12.156 5.704 1.00 4.31 C ATOM 1193 CG TYR A 73 -9.248 13.199 6.697 1.00 20.10 C ATOM 1194 CD1 TYR A 73 -8.466 14.273 6.290 1.00 50.00 C ATOM 1195 CD2 TYR A 73 -9.591 13.108 8.039 1.00 41.20 C ATOM 1196 CE1 TYR A 73 -8.041 15.228 7.194 1.00 0.54 C ATOM 1197 CE2 TYR A 73 -9.169 14.059 8.950 1.00 32.20 C ATOM 1198 CZ TYR A 73 -8.395 15.117 8.522 1.00 33.30 C ATOM 1199 OH TYR A 73 -7.973 16.065 9.425 1.00 33.10 O ATOM 0 H TYR A 73 -10.623 10.787 3.852 1.00 3.22 H new ATOM 0 HA TYR A 73 -11.770 12.746 5.588 1.00 61.30 H new ATOM 0 HB2 TYR A 73 -9.933 11.232 6.238 1.00 4.31 H new ATOM 0 HB3 TYR A 73 -8.896 11.937 5.014 1.00 4.31 H new ATOM 0 HD1 TYR A 73 -8.186 14.363 5.251 1.00 50.00 H new ATOM 0 HD2 TYR A 73 -10.197 12.281 8.377 1.00 41.20 H new ATOM 0 HE1 TYR A 73 -7.434 16.057 6.862 1.00 0.54 H new ATOM 0 HE2 TYR A 73 -9.444 13.974 9.991 1.00 32.20 H new ATOM 0 HH TYR A 73 -8.310 15.840 10.317 1.00 33.10 H new ATOM 1209 N LEU A 74 -9.883 13.781 3.087 1.00 31.30 N ATOM 1210 CA LEU A 74 -9.537 14.953 2.289 1.00 23.50 C ATOM 1211 C LEU A 74 -10.740 15.457 1.502 1.00 31.30 C ATOM 1212 O LEU A 74 -10.970 16.663 1.411 1.00 2.52 O ATOM 1213 CB LEU A 74 -8.390 14.623 1.331 1.00 34.40 C ATOM 1214 CG LEU A 74 -8.648 13.442 0.391 1.00 54.40 C ATOM 1215 CD1 LEU A 74 -9.128 13.934 -0.965 1.00 44.30 C ATOM 1216 CD2 LEU A 74 -7.392 12.596 0.240 1.00 10.50 C ATOM 0 H LEU A 74 -9.479 12.907 2.750 1.00 31.30 H new ATOM 0 HA LEU A 74 -9.219 15.741 2.972 1.00 23.50 H new ATOM 0 HB2 LEU A 74 -8.174 15.506 0.729 1.00 34.40 H new ATOM 0 HB3 LEU A 74 -7.496 14.411 1.918 1.00 34.40 H new ATOM 0 HG LEU A 74 -9.430 12.820 0.826 1.00 54.40 H new ATOM 0 HD11 LEU A 74 -9.306 13.081 -1.619 1.00 44.30 H new ATOM 0 HD12 LEU A 74 -10.054 14.496 -0.841 1.00 44.30 H new ATOM 0 HD13 LEU A 74 -8.369 14.579 -1.408 1.00 44.30 H new ATOM 0 HD21 LEU A 74 -7.594 11.761 -0.431 1.00 10.50 H new ATOM 0 HD22 LEU A 74 -6.589 13.207 -0.172 1.00 10.50 H new ATOM 0 HD23 LEU A 74 -7.092 12.213 1.215 1.00 10.50 H new ATOM 1228 N ARG A 75 -11.500 14.530 0.935 1.00 23.00 N ATOM 1229 CA ARG A 75 -12.680 14.885 0.154 1.00 72.10 C ATOM 1230 C ARG A 75 -13.690 15.647 1.006 1.00 45.30 C ATOM 1231 O ARG A 75 -14.130 16.740 0.642 1.00 44.20 O ATOM 1232 CB ARG A 75 -13.330 13.629 -0.427 1.00 34.10 C ATOM 1233 CG ARG A 75 -12.810 13.254 -1.804 1.00 54.10 C ATOM 1234 CD ARG A 75 -13.740 12.279 -2.509 1.00 41.10 C ATOM 1235 NE ARG A 75 -14.800 12.967 -3.251 1.00 2.53 N ATOM 1236 CZ ARG A 75 -16.000 13.234 -2.758 1.00 15.40 C ATOM 1237 NH1 ARG A 75 -16.320 12.869 -1.522 1.00 74.10 N ATOM 1238 NH2 ARG A 75 -16.900 13.870 -3.505 1.00 42.10 N ATOM 0 H ARG A 75 -11.322 13.528 1.000 1.00 23.00 H new ATOM 0 HA ARG A 75 -12.361 15.532 -0.663 1.00 72.10 H new ATOM 0 HB2 ARG A 75 -13.162 12.795 0.255 1.00 34.10 H new ATOM 0 HB3 ARG A 75 -14.408 13.782 -0.484 1.00 34.10 H new ATOM 0 HG2 ARG A 75 -12.700 14.154 -2.409 1.00 54.10 H new ATOM 0 HG3 ARG A 75 -11.819 12.809 -1.710 1.00 54.10 H new ATOM 0 HD2 ARG A 75 -13.162 11.659 -3.194 1.00 41.10 H new ATOM 0 HD3 ARG A 75 -14.188 11.610 -1.774 1.00 41.10 H new ATOM 0 HE ARG A 75 -14.601 13.259 -4.208 1.00 2.53 H new ATOM 0 HH11 ARG A 75 -15.639 12.378 -0.943 1.00 74.10 H new ATOM 0 HH12 ARG A 75 -17.247 13.079 -1.152 1.00 74.10 H new ATOM 0 HH21 ARG A 75 -16.665 14.152 -4.457 1.00 42.10 H new ATOM 0 HH22 ARG A 75 -17.824 14.076 -3.125 1.00 42.10 H new ATOM 1252 N SER A 76 -14.060 15.063 2.141 1.00 63.30 N ATOM 1253 CA SER A 76 -15.020 15.686 3.045 1.00 21.40 C ATOM 1254 C SER A 76 -14.520 17.047 3.519 1.00 52.30 C ATOM 1255 O SER A 76 -15.200 18.063 3.344 1.00 1.03 O ATOM 1256 CB SER A 76 -15.290 14.779 4.248 1.00 65.20 C ATOM 1257 OG SER A 76 -16.630 14.875 4.673 1.00 41.30 O ATOM 0 H SER A 76 -13.709 14.159 2.457 1.00 63.30 H new ATOM 0 HA SER A 76 -15.951 15.833 2.497 1.00 21.40 H new ATOM 0 HB2 SER A 76 -15.063 13.746 3.985 1.00 65.20 H new ATOM 0 HB3 SER A 76 -14.626 15.052 5.068 1.00 65.20 H new ATOM 0 HG SER A 76 -16.773 14.284 5.441 1.00 41.30 H new