USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.404 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 83:sc= 1.2 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0425 X(o=-0.042,f=-0.45) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-5.5!) 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 60 CYS SG : rot 150:sc= -0.135 USER MOD Single : A 62 GLN : amide:sc= -0.927 K(o=-0.93,f=-3!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 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 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 85:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.678 -7.073 -5.799 1.00 2.40 N ATOM 60 CA THR A 5 8.299 -6.600 -5.759 1.00 31.40 C ATOM 61 C THR A 5 7.839 -6.385 -4.321 1.00 5.11 C ATOM 62 O THR A 5 7.016 -5.512 -4.046 1.00 61.40 O ATOM 63 CB THR A 5 7.375 -7.599 -6.458 1.00 0.30 C ATOM 64 OG1 THR A 5 7.982 -8.105 -7.634 1.00 44.20 O ATOM 65 CG2 THR A 5 6.040 -7.005 -6.849 1.00 20.10 C ATOM 0 HA THR A 5 8.253 -5.645 -6.283 1.00 31.40 H new ATOM 0 HB THR A 5 7.202 -8.392 -5.731 1.00 0.30 H new ATOM 0 HG1 THR A 5 8.949 -8.180 -7.497 1.00 44.20 H new ATOM 0 HG21 THR A 5 5.433 -7.766 -7.340 1.00 20.10 H new ATOM 0 HG22 THR A 5 5.525 -6.650 -5.957 1.00 20.10 H new ATOM 0 HG23 THR A 5 6.199 -6.171 -7.533 1.00 20.10 H new ATOM 73 N LEU A 6 8.377 -7.186 -3.407 1.00 14.00 N ATOM 74 CA LEU A 6 8.021 -7.084 -1.995 1.00 11.00 C ATOM 75 C LEU A 6 8.648 -5.844 -1.366 1.00 34.50 C ATOM 76 O LEU A 6 7.989 -5.107 -0.631 1.00 72.30 O ATOM 77 CB LEU A 6 8.471 -8.336 -1.242 1.00 63.20 C ATOM 78 CG LEU A 6 7.453 -9.479 -1.219 1.00 74.00 C ATOM 79 CD1 LEU A 6 6.216 -9.076 -0.431 1.00 62.10 C ATOM 80 CD2 LEU A 6 7.077 -9.884 -2.636 1.00 13.40 C ATOM 0 H LEU A 6 9.061 -7.913 -3.618 1.00 14.00 H new ATOM 0 HA LEU A 6 6.937 -6.997 -1.924 1.00 11.00 H new ATOM 0 HB2 LEU A 6 9.394 -8.701 -1.693 1.00 63.20 H new ATOM 0 HB3 LEU A 6 8.706 -8.059 -0.214 1.00 63.20 H new ATOM 0 HG LEU A 6 7.908 -10.337 -0.725 1.00 74.00 H new ATOM 0 HD11 LEU A 6 5.503 -9.901 -0.425 1.00 62.10 H new ATOM 0 HD12 LEU A 6 6.500 -8.835 0.593 1.00 62.10 H new ATOM 0 HD13 LEU A 6 5.757 -8.203 -0.895 1.00 62.10 H new ATOM 0 HD21 LEU A 6 6.353 -10.698 -2.602 1.00 13.40 H new ATOM 0 HD22 LEU A 6 6.640 -9.031 -3.154 1.00 13.40 H new ATOM 0 HD23 LEU A 6 7.969 -10.214 -3.169 1.00 13.40 H new ATOM 92 N GLN A 7 9.926 -5.621 -1.656 1.00 50.30 N ATOM 93 CA GLN A 7 10.643 -4.472 -1.117 1.00 65.00 C ATOM 94 C GLN A 7 10.068 -3.166 -1.659 1.00 1.14 C ATOM 95 O GLN A 7 10.097 -2.137 -0.985 1.00 54.10 O ATOM 96 CB GLN A 7 12.133 -4.569 -1.457 1.00 60.30 C ATOM 97 CG GLN A 7 13.043 -4.378 -0.255 1.00 62.40 C ATOM 98 CD GLN A 7 13.531 -2.949 -0.114 1.00 41.40 C ATOM 99 OE1 GLN A 7 14.464 -2.529 -0.800 1.00 21.10 O ATOM 100 NE2 GLN A 7 12.901 -2.194 0.777 1.00 12.50 N ATOM 0 H GLN A 7 10.486 -6.221 -2.261 1.00 50.30 H new ATOM 0 HA GLN A 7 10.524 -4.477 -0.034 1.00 65.00 H new ATOM 0 HB2 GLN A 7 12.333 -5.543 -1.903 1.00 60.30 H new ATOM 0 HB3 GLN A 7 12.375 -3.818 -2.209 1.00 60.30 H new ATOM 0 HG2 GLN A 7 12.509 -4.666 0.650 1.00 62.40 H new ATOM 0 HG3 GLN A 7 13.901 -5.044 -0.344 1.00 62.40 H new ATOM 0 HE21 GLN A 7 12.133 -2.584 1.324 1.00 12.50 H new ATOM 0 HE22 GLN A 7 13.185 -1.224 0.915 1.00 12.50 H new ATOM 109 N LYS A 8 9.545 -3.216 -2.880 1.00 15.10 N ATOM 110 CA LYS A 8 8.965 -2.037 -3.512 1.00 63.50 C ATOM 111 C LYS A 8 7.646 -1.654 -2.845 1.00 55.40 C ATOM 112 O LYS A 8 7.335 -0.472 -2.698 1.00 54.20 O ATOM 113 CB LYS A 8 8.740 -2.291 -5.003 1.00 64.00 C ATOM 114 CG LYS A 8 9.941 -1.945 -5.868 1.00 73.00 C ATOM 115 CD LYS A 8 9.516 -1.463 -7.245 1.00 51.30 C ATOM 116 CE LYS A 8 10.423 -0.353 -7.752 1.00 43.30 C ATOM 117 NZ LYS A 8 11.583 -0.890 -8.515 1.00 2.04 N ATOM 0 H LYS A 8 9.511 -4.060 -3.451 1.00 15.10 H new ATOM 0 HA LYS A 8 9.665 -1.210 -3.392 1.00 63.50 H new ATOM 0 HB2 LYS A 8 8.488 -3.341 -5.150 1.00 64.00 H new ATOM 0 HB3 LYS A 8 7.882 -1.707 -5.337 1.00 64.00 H new ATOM 0 HG2 LYS A 8 10.533 -1.172 -5.378 1.00 73.00 H new ATOM 0 HG3 LYS A 8 10.582 -2.821 -5.970 1.00 73.00 H new ATOM 0 HD2 LYS A 8 9.535 -2.298 -7.946 1.00 51.30 H new ATOM 0 HD3 LYS A 8 8.488 -1.104 -7.204 1.00 51.30 H new ATOM 0 HE2 LYS A 8 9.850 0.322 -8.389 1.00 43.30 H new ATOM 0 HE3 LYS A 8 10.784 0.235 -6.908 1.00 43.30 H new ATOM 0 HZ1 LYS A 8 12.177 -0.102 -8.844 1.00 2.04 H new ATOM 0 HZ2 LYS A 8 12.144 -1.514 -7.900 1.00 2.04 H new ATOM 0 HZ3 LYS A 8 11.239 -1.430 -9.335 1.00 2.04 H new ATOM 131 N ALA A 9 6.878 -2.661 -2.444 1.00 22.40 N ATOM 132 CA ALA A 9 5.593 -2.429 -1.793 1.00 15.50 C ATOM 133 C ALA A 9 5.777 -1.780 -0.426 1.00 70.20 C ATOM 134 O ALA A 9 4.946 -0.985 0.011 1.00 20.20 O ATOM 135 CB ALA A 9 4.826 -3.737 -1.660 1.00 63.30 C ATOM 0 H ALA A 9 7.122 -3.645 -2.558 1.00 22.40 H new ATOM 0 HA ALA A 9 5.018 -1.744 -2.415 1.00 15.50 H new ATOM 0 HB1 ALA A 9 3.869 -3.550 -1.173 1.00 63.30 H new ATOM 0 HB2 ALA A 9 4.653 -4.159 -2.650 1.00 63.30 H new ATOM 0 HB3 ALA A 9 5.406 -4.440 -1.062 1.00 63.30 H new ATOM 141 N ILE A 10 6.869 -2.126 0.246 1.00 33.30 N ATOM 142 CA ILE A 10 7.161 -1.578 1.566 1.00 54.10 C ATOM 143 C ILE A 10 7.589 -0.117 1.472 1.00 53.40 C ATOM 144 O ILE A 10 7.367 0.666 2.396 1.00 55.30 O ATOM 145 CB ILE A 10 8.266 -2.381 2.278 1.00 73.20 C ATOM 146 CG1 ILE A 10 7.940 -3.877 2.252 1.00 1.41 C ATOM 147 CG2 ILE A 10 8.436 -1.897 3.711 1.00 64.50 C ATOM 148 CD1 ILE A 10 9.156 -4.763 2.410 1.00 63.40 C ATOM 0 H ILE A 10 7.567 -2.784 -0.101 1.00 33.30 H new ATOM 0 HA ILE A 10 6.242 -1.648 2.147 1.00 54.10 H new ATOM 0 HB ILE A 10 9.205 -2.223 1.748 1.00 73.20 H new ATOM 0 HG12 ILE A 10 7.232 -4.100 3.050 1.00 1.41 H new ATOM 0 HG13 ILE A 10 7.446 -4.117 1.311 1.00 1.41 H new ATOM 0 HG21 ILE A 10 9.220 -2.475 4.200 1.00 64.50 H new ATOM 0 HG22 ILE A 10 8.710 -0.842 3.709 1.00 64.50 H new ATOM 0 HG23 ILE A 10 7.499 -2.027 4.252 1.00 64.50 H new ATOM 0 HD11 ILE A 10 8.850 -5.809 2.382 1.00 63.40 H new ATOM 0 HD12 ILE A 10 9.856 -4.568 1.598 1.00 63.40 H new ATOM 0 HD13 ILE A 10 9.639 -4.551 3.364 1.00 63.40 H new ATOM 160 N ASP A 11 8.207 0.244 0.352 1.00 73.20 N ATOM 161 CA ASP A 11 8.668 1.611 0.139 1.00 24.50 C ATOM 162 C ASP A 11 7.490 2.563 -0.047 1.00 24.20 C ATOM 163 O ASP A 11 7.573 3.742 0.296 1.00 52.20 O ATOM 164 CB ASP A 11 9.592 1.675 -1.080 1.00 61.40 C ATOM 165 CG ASP A 11 10.881 2.418 -0.789 1.00 32.00 C ATOM 166 OD1 ASP A 11 11.640 1.968 0.094 1.00 33.50 O ATOM 167 OD2 ASP A 11 11.131 3.451 -1.447 1.00 24.30 O ATOM 0 H ASP A 11 8.400 -0.391 -0.422 1.00 73.20 H new ATOM 0 HA ASP A 11 9.223 1.922 1.024 1.00 24.50 H new ATOM 0 HB2 ASP A 11 9.826 0.662 -1.409 1.00 61.40 H new ATOM 0 HB3 ASP A 11 9.071 2.165 -1.902 1.00 61.40 H new ATOM 172 N LEU A 12 6.396 2.044 -0.595 1.00 74.50 N ATOM 173 CA LEU A 12 5.203 2.850 -0.828 1.00 14.10 C ATOM 174 C LEU A 12 4.430 3.074 0.468 1.00 45.30 C ATOM 175 O LEU A 12 3.785 4.107 0.646 1.00 43.40 O ATOM 176 CB LEU A 12 4.300 2.174 -1.862 1.00 3.23 C ATOM 177 CG LEU A 12 4.603 2.531 -3.318 1.00 64.10 C ATOM 178 CD1 LEU A 12 4.376 4.015 -3.562 1.00 12.10 C ATOM 179 CD2 LEU A 12 6.030 2.141 -3.677 1.00 42.40 C ATOM 0 H LEU A 12 6.311 1.070 -0.886 1.00 74.50 H new ATOM 0 HA LEU A 12 5.522 3.820 -1.210 1.00 14.10 H new ATOM 0 HB2 LEU A 12 4.383 1.094 -1.744 1.00 3.23 H new ATOM 0 HB3 LEU A 12 3.265 2.439 -1.647 1.00 3.23 H new ATOM 0 HG LEU A 12 3.923 1.970 -3.959 1.00 64.10 H new ATOM 0 HD11 LEU A 12 4.597 4.250 -4.603 1.00 12.10 H new ATOM 0 HD12 LEU A 12 3.337 4.265 -3.346 1.00 12.10 H new ATOM 0 HD13 LEU A 12 5.031 4.595 -2.912 1.00 12.10 H new ATOM 0 HD21 LEU A 12 6.228 2.402 -4.717 1.00 42.40 H new ATOM 0 HD22 LEU A 12 6.727 2.674 -3.030 1.00 42.40 H new ATOM 0 HD23 LEU A 12 6.159 1.067 -3.542 1.00 42.40 H new ATOM 191 N VAL A 13 4.498 2.099 1.368 1.00 10.20 N ATOM 192 CA VAL A 13 3.802 2.191 2.646 1.00 22.40 C ATOM 193 C VAL A 13 4.524 3.134 3.603 1.00 0.12 C ATOM 194 O VAL A 13 3.901 3.763 4.458 1.00 63.40 O ATOM 195 CB VAL A 13 3.664 0.808 3.311 1.00 75.10 C ATOM 196 CG1 VAL A 13 2.799 0.898 4.559 1.00 13.30 C ATOM 197 CG2 VAL A 13 3.090 -0.203 2.330 1.00 55.40 C ATOM 0 H VAL A 13 5.027 1.237 1.236 1.00 10.20 H new ATOM 0 HA VAL A 13 2.808 2.586 2.435 1.00 22.40 H new ATOM 0 HB VAL A 13 4.657 0.469 3.608 1.00 75.10 H new ATOM 0 HG11 VAL A 13 2.713 -0.089 5.014 1.00 13.30 H new ATOM 0 HG12 VAL A 13 3.256 1.587 5.269 1.00 13.30 H new ATOM 0 HG13 VAL A 13 1.807 1.260 4.289 1.00 13.30 H new ATOM 0 HG21 VAL A 13 3.000 -1.173 2.818 1.00 55.40 H new ATOM 0 HG22 VAL A 13 2.106 0.129 1.999 1.00 55.40 H new ATOM 0 HG23 VAL A 13 3.752 -0.290 1.468 1.00 55.40 H new ATOM 207 N THR A 14 5.842 3.225 3.457 1.00 43.20 N ATOM 208 CA THR A 14 6.646 4.092 4.311 1.00 23.40 C ATOM 209 C THR A 14 6.522 5.550 3.883 1.00 65.40 C ATOM 210 O THR A 14 6.520 6.454 4.718 1.00 63.10 O ATOM 211 CB THR A 14 8.113 3.660 4.274 1.00 13.20 C ATOM 212 OG1 THR A 14 8.224 2.252 4.377 1.00 20.00 O ATOM 213 CG2 THR A 14 8.944 4.269 5.382 1.00 32.10 C ATOM 0 H THR A 14 6.375 2.710 2.757 1.00 43.20 H new ATOM 0 HA THR A 14 6.272 4.001 5.331 1.00 23.40 H new ATOM 0 HB THR A 14 8.495 4.017 3.318 1.00 13.20 H new ATOM 0 HG1 THR A 14 8.091 1.848 3.494 1.00 20.00 H new ATOM 0 HG21 THR A 14 9.974 3.922 5.298 1.00 32.10 H new ATOM 0 HG22 THR A 14 8.920 5.356 5.300 1.00 32.10 H new ATOM 0 HG23 THR A 14 8.538 3.969 6.348 1.00 32.10 H new ATOM 221 N LYS A 15 6.419 5.771 2.577 1.00 31.50 N ATOM 222 CA LYS A 15 6.296 7.120 2.037 1.00 60.40 C ATOM 223 C LYS A 15 4.907 7.693 2.313 1.00 13.00 C ATOM 224 O LYS A 15 4.745 8.902 2.477 1.00 13.30 O ATOM 225 CB LYS A 15 6.571 7.117 0.531 1.00 15.40 C ATOM 226 CG LYS A 15 7.811 7.906 0.138 1.00 75.10 C ATOM 227 CD LYS A 15 8.880 7.006 -0.466 1.00 3.34 C ATOM 228 CE LYS A 15 8.934 7.140 -1.979 1.00 42.30 C ATOM 229 NZ LYS A 15 10.085 7.973 -2.422 1.00 31.00 N ATOM 0 H LYS A 15 6.418 5.033 1.873 1.00 31.50 H new ATOM 0 HA LYS A 15 7.034 7.751 2.532 1.00 60.40 H new ATOM 0 HB2 LYS A 15 6.683 6.087 0.192 1.00 15.40 H new ATOM 0 HB3 LYS A 15 5.707 7.531 0.011 1.00 15.40 H new ATOM 0 HG2 LYS A 15 7.538 8.680 -0.580 1.00 75.10 H new ATOM 0 HG3 LYS A 15 8.214 8.412 1.015 1.00 75.10 H new ATOM 0 HD2 LYS A 15 9.852 7.260 -0.043 1.00 3.34 H new ATOM 0 HD3 LYS A 15 8.677 5.969 -0.199 1.00 3.34 H new ATOM 0 HE2 LYS A 15 9.008 6.150 -2.429 1.00 42.30 H new ATOM 0 HE3 LYS A 15 8.005 7.584 -2.337 1.00 42.30 H new ATOM 0 HZ1 LYS A 15 10.086 8.040 -3.460 1.00 31.00 H new ATOM 0 HZ2 LYS A 15 10.001 8.926 -2.014 1.00 31.00 H new ATOM 0 HZ3 LYS A 15 10.973 7.536 -2.102 1.00 31.00 H new ATOM 243 N ALA A 16 3.910 6.816 2.364 1.00 73.30 N ATOM 244 CA ALA A 16 2.537 7.234 2.619 1.00 72.10 C ATOM 245 C ALA A 16 2.323 7.562 4.093 1.00 20.10 C ATOM 246 O ALA A 16 1.717 8.579 4.431 1.00 12.40 O ATOM 247 CB ALA A 16 1.565 6.152 2.172 1.00 11.20 C ATOM 0 H ALA A 16 4.027 5.811 2.232 1.00 73.30 H new ATOM 0 HA ALA A 16 2.349 8.140 2.043 1.00 72.10 H new ATOM 0 HB1 ALA A 16 0.543 6.477 2.368 1.00 11.20 H new ATOM 0 HB2 ALA A 16 1.689 5.970 1.105 1.00 11.20 H new ATOM 0 HB3 ALA A 16 1.765 5.233 2.723 1.00 11.20 H new ATOM 253 N THR A 17 2.825 6.695 4.966 1.00 50.10 N ATOM 254 CA THR A 17 2.687 6.893 6.406 1.00 71.50 C ATOM 255 C THR A 17 3.322 8.210 6.839 1.00 60.10 C ATOM 256 O THR A 17 2.729 8.975 7.601 1.00 51.40 O ATOM 257 CB THR A 17 3.329 5.730 7.164 1.00 63.10 C ATOM 258 OG1 THR A 17 3.262 5.947 8.563 1.00 23.50 O ATOM 259 CG2 THR A 17 4.782 5.508 6.803 1.00 71.40 C ATOM 0 H THR A 17 3.331 5.849 4.703 1.00 50.10 H new ATOM 0 HA THR A 17 1.624 6.930 6.642 1.00 71.50 H new ATOM 0 HB THR A 17 2.761 4.847 6.873 1.00 63.10 H new ATOM 0 HG1 THR A 17 3.676 5.192 9.031 1.00 23.50 H new ATOM 0 HG21 THR A 17 5.175 4.669 7.377 1.00 71.40 H new ATOM 0 HG22 THR A 17 4.863 5.289 5.738 1.00 71.40 H new ATOM 0 HG23 THR A 17 5.356 6.406 7.034 1.00 71.40 H new ATOM 267 N GLU A 18 4.530 8.469 6.351 1.00 21.00 N ATOM 268 CA GLU A 18 5.246 9.694 6.688 1.00 2.44 C ATOM 269 C GLU A 18 4.532 10.918 6.124 1.00 74.30 C ATOM 270 O GLU A 18 4.469 11.964 6.771 1.00 51.20 O ATOM 271 CB GLU A 18 6.678 9.634 6.154 1.00 53.10 C ATOM 272 CG GLU A 18 6.757 9.518 4.640 1.00 43.40 C ATOM 273 CD GLU A 18 8.166 9.258 4.147 1.00 2.22 C ATOM 274 OE1 GLU A 18 8.705 8.168 4.435 1.00 41.10 O ATOM 275 OE2 GLU A 18 8.733 10.144 3.474 1.00 2.33 O ATOM 0 H GLU A 18 5.035 7.846 5.720 1.00 21.00 H new ATOM 0 HA GLU A 18 5.272 9.782 7.774 1.00 2.44 H new ATOM 0 HB2 GLU A 18 7.213 10.530 6.470 1.00 53.10 H new ATOM 0 HB3 GLU A 18 7.189 8.782 6.603 1.00 53.10 H new ATOM 0 HG2 GLU A 18 6.105 8.711 4.307 1.00 43.40 H new ATOM 0 HG3 GLU A 18 6.382 10.437 4.189 1.00 43.40 H new ATOM 282 N GLU A 19 3.996 10.781 4.917 1.00 40.40 N ATOM 283 CA GLU A 19 3.288 11.879 4.267 1.00 12.40 C ATOM 284 C GLU A 19 2.002 12.219 5.013 1.00 74.20 C ATOM 285 O GLU A 19 1.657 13.389 5.174 1.00 52.40 O ATOM 286 CB GLU A 19 2.967 11.518 2.815 1.00 33.30 C ATOM 287 CG GLU A 19 4.114 11.788 1.854 1.00 32.10 C ATOM 288 CD GLU A 19 4.137 13.222 1.361 1.00 14.40 C ATOM 289 OE1 GLU A 19 3.354 13.547 0.443 1.00 41.20 O ATOM 290 OE2 GLU A 19 4.937 14.020 1.893 1.00 74.00 O ATOM 0 H GLU A 19 4.038 9.922 4.369 1.00 40.40 H new ATOM 0 HA GLU A 19 3.937 12.754 4.283 1.00 12.40 H new ATOM 0 HB2 GLU A 19 2.700 10.462 2.762 1.00 33.30 H new ATOM 0 HB3 GLU A 19 2.093 12.084 2.493 1.00 33.30 H new ATOM 0 HG2 GLU A 19 5.059 11.563 2.349 1.00 32.10 H new ATOM 0 HG3 GLU A 19 4.034 11.115 1.000 1.00 32.10 H new ATOM 297 N ASP A 20 1.294 11.187 5.467 1.00 43.30 N ATOM 298 CA ASP A 20 0.044 11.378 6.197 1.00 71.20 C ATOM 299 C ASP A 20 0.241 12.316 7.384 1.00 43.40 C ATOM 300 O ASP A 20 -0.637 13.118 7.706 1.00 24.30 O ATOM 301 CB ASP A 20 -0.498 10.031 6.679 1.00 32.00 C ATOM 302 CG ASP A 20 -2.009 9.948 6.582 1.00 62.30 C ATOM 303 OD1 ASP A 20 -2.523 9.803 5.452 1.00 33.50 O ATOM 304 OD2 ASP A 20 -2.677 10.026 7.633 1.00 24.40 O ATOM 0 H ASP A 20 1.565 10.211 5.342 1.00 43.30 H new ATOM 0 HA ASP A 20 -0.678 11.832 5.518 1.00 71.20 H new ATOM 0 HB2 ASP A 20 -0.054 9.231 6.087 1.00 32.00 H new ATOM 0 HB3 ASP A 20 -0.194 9.869 7.713 1.00 32.00 H new ATOM 309 N LYS A 21 1.397 12.210 8.030 1.00 3.33 N ATOM 310 CA LYS A 21 1.710 13.049 9.180 1.00 1.13 C ATOM 311 C LYS A 21 2.055 14.472 8.747 1.00 0.45 C ATOM 312 O LYS A 21 1.953 15.412 9.536 1.00 33.50 O ATOM 313 CB LYS A 21 2.873 12.451 9.974 1.00 33.50 C ATOM 314 CG LYS A 21 2.432 11.466 11.046 1.00 4.42 C ATOM 315 CD LYS A 21 3.136 10.125 10.898 1.00 42.40 C ATOM 316 CE LYS A 21 2.560 9.085 11.845 1.00 4.22 C ATOM 317 NZ LYS A 21 3.402 8.917 13.063 1.00 11.00 N ATOM 0 H LYS A 21 2.133 11.551 7.776 1.00 3.33 H new ATOM 0 HA LYS A 21 0.825 13.089 9.815 1.00 1.13 H new ATOM 0 HB2 LYS A 21 3.552 11.947 9.286 1.00 33.50 H new ATOM 0 HB3 LYS A 21 3.436 13.258 10.443 1.00 33.50 H new ATOM 0 HG2 LYS A 21 2.643 11.881 12.031 1.00 4.42 H new ATOM 0 HG3 LYS A 21 1.354 11.320 10.985 1.00 4.42 H new ATOM 0 HD2 LYS A 21 3.041 9.775 9.870 1.00 42.40 H new ATOM 0 HD3 LYS A 21 4.201 10.248 11.096 1.00 42.40 H new ATOM 0 HE2 LYS A 21 1.552 9.379 12.138 1.00 4.22 H new ATOM 0 HE3 LYS A 21 2.475 8.130 11.327 1.00 4.22 H new ATOM 0 HZ1 LYS A 21 2.976 8.199 13.683 1.00 11.00 H new ATOM 0 HZ2 LYS A 21 4.357 8.612 12.786 1.00 11.00 H new ATOM 0 HZ3 LYS A 21 3.462 9.822 13.571 1.00 11.00 H new ATOM 331 N ALA A 22 2.465 14.626 7.491 1.00 14.10 N ATOM 332 CA ALA A 22 2.826 15.935 6.960 1.00 35.40 C ATOM 333 C ALA A 22 1.659 16.575 6.214 1.00 13.20 C ATOM 334 O ALA A 22 1.860 17.399 5.321 1.00 71.40 O ATOM 335 CB ALA A 22 4.036 15.816 6.046 1.00 52.50 C ATOM 0 H ALA A 22 2.555 13.860 6.823 1.00 14.10 H new ATOM 0 HA ALA A 22 3.078 16.580 7.802 1.00 35.40 H new ATOM 0 HB1 ALA A 22 4.296 16.800 5.656 1.00 52.50 H new ATOM 0 HB2 ALA A 22 4.879 15.415 6.609 1.00 52.50 H new ATOM 0 HB3 ALA A 22 3.802 15.148 5.217 1.00 52.50 H new ATOM 341 N LYS A 23 0.439 16.196 6.585 1.00 35.40 N ATOM 342 CA LYS A 23 -0.757 16.738 5.948 1.00 43.20 C ATOM 343 C LYS A 23 -0.728 16.508 4.439 1.00 72.40 C ATOM 344 O LYS A 23 -0.951 17.431 3.655 1.00 25.30 O ATOM 345 CB LYS A 23 -0.884 18.233 6.248 1.00 75.10 C ATOM 346 CG LYS A 23 -1.303 18.535 7.678 1.00 0.32 C ATOM 347 CD LYS A 23 -2.721 19.080 7.742 1.00 13.50 C ATOM 348 CE LYS A 23 -3.428 18.643 9.015 1.00 62.00 C ATOM 349 NZ LYS A 23 -4.886 18.434 8.797 1.00 43.30 N ATOM 0 H LYS A 23 0.253 15.516 7.323 1.00 35.40 H new ATOM 0 HA LYS A 23 -1.623 16.216 6.356 1.00 43.20 H new ATOM 0 HB2 LYS A 23 0.072 18.717 6.049 1.00 75.10 H new ATOM 0 HB3 LYS A 23 -1.612 18.671 5.565 1.00 75.10 H new ATOM 0 HG2 LYS A 23 -1.234 17.627 8.277 1.00 0.32 H new ATOM 0 HG3 LYS A 23 -0.614 19.258 8.115 1.00 0.32 H new ATOM 0 HD2 LYS A 23 -2.696 20.169 7.694 1.00 13.50 H new ATOM 0 HD3 LYS A 23 -3.284 18.735 6.875 1.00 13.50 H new ATOM 0 HE2 LYS A 23 -2.980 17.719 9.380 1.00 62.00 H new ATOM 0 HE3 LYS A 23 -3.281 19.396 9.789 1.00 62.00 H new ATOM 0 HZ1 LYS A 23 -5.331 18.137 9.689 1.00 43.30 H new ATOM 0 HZ2 LYS A 23 -5.319 19.322 8.473 1.00 43.30 H new ATOM 0 HZ3 LYS A 23 -5.027 17.697 8.077 1.00 43.30 H new ATOM 363 N ASN A 24 -0.450 15.271 4.040 1.00 1.22 N ATOM 364 CA ASN A 24 -0.392 14.920 2.624 1.00 22.30 C ATOM 365 C ASN A 24 -1.346 13.773 2.311 1.00 12.40 C ATOM 366 O ASN A 24 -0.982 12.817 1.625 1.00 71.30 O ATOM 367 CB ASN A 24 1.036 14.539 2.230 1.00 42.30 C ATOM 368 CG ASN A 24 1.901 15.752 1.948 1.00 53.40 C ATOM 369 OD1 ASN A 24 2.657 16.204 2.808 1.00 12.10 O ATOM 370 ND2 ASN A 24 1.792 16.287 0.737 1.00 12.30 N ATOM 0 H ASN A 24 -0.262 14.496 4.675 1.00 1.22 H new ATOM 0 HA ASN A 24 -0.699 15.791 2.044 1.00 22.30 H new ATOM 0 HB2 ASN A 24 1.487 13.953 3.031 1.00 42.30 H new ATOM 0 HB3 ASN A 24 1.008 13.902 1.346 1.00 42.30 H new ATOM 0 HD21 ASN A 24 2.348 17.105 0.489 1.00 12.30 H new ATOM 0 HD22 ASN A 24 1.152 15.879 0.055 1.00 12.30 H new ATOM 377 N TYR A 25 -2.572 13.874 2.817 1.00 23.20 N ATOM 378 CA TYR A 25 -3.584 12.845 2.593 1.00 5.25 C ATOM 379 C TYR A 25 -3.750 12.552 1.105 1.00 3.41 C ATOM 380 O TYR A 25 -4.080 11.431 0.716 1.00 23.10 O ATOM 381 CB TYR A 25 -4.924 13.281 3.189 1.00 11.00 C ATOM 382 CG TYR A 25 -4.931 13.323 4.701 1.00 64.20 C ATOM 383 CD1 TYR A 25 -4.423 14.419 5.386 1.00 20.50 C ATOM 384 CD2 TYR A 25 -5.446 12.268 5.442 1.00 45.40 C ATOM 385 CE1 TYR A 25 -4.428 14.462 6.768 1.00 32.30 C ATOM 386 CE2 TYR A 25 -5.454 12.302 6.823 1.00 5.42 C ATOM 387 CZ TYR A 25 -4.944 13.401 7.481 1.00 65.20 C ATOM 388 OH TYR A 25 -4.951 13.439 8.857 1.00 43.20 O ATOM 0 H TYR A 25 -2.889 14.659 3.386 1.00 23.20 H new ATOM 0 HA TYR A 25 -3.250 11.933 3.088 1.00 5.25 H new ATOM 0 HB2 TYR A 25 -5.178 14.269 2.806 1.00 11.00 H new ATOM 0 HB3 TYR A 25 -5.702 12.598 2.850 1.00 11.00 H new ATOM 0 HD1 TYR A 25 -4.017 15.251 4.830 1.00 20.50 H new ATOM 0 HD2 TYR A 25 -5.847 11.406 4.930 1.00 45.40 H new ATOM 0 HE1 TYR A 25 -4.030 15.322 7.286 1.00 32.30 H new ATOM 0 HE2 TYR A 25 -5.858 11.472 7.384 1.00 5.42 H new ATOM 0 HH TYR A 25 -5.350 12.614 9.205 1.00 43.20 H new ATOM 398 N GLU A 26 -3.517 13.565 0.277 1.00 54.10 N ATOM 399 CA GLU A 26 -3.639 13.416 -1.169 1.00 0.41 C ATOM 400 C GLU A 26 -2.555 12.491 -1.713 1.00 31.00 C ATOM 401 O GLU A 26 -2.833 11.588 -2.501 1.00 21.40 O ATOM 402 CB GLU A 26 -3.553 14.781 -1.853 1.00 34.50 C ATOM 403 CG GLU A 26 -4.906 15.441 -2.069 1.00 15.10 C ATOM 404 CD GLU A 26 -5.353 15.396 -3.517 1.00 63.00 C ATOM 405 OE1 GLU A 26 -5.507 14.281 -4.056 1.00 41.20 O ATOM 406 OE2 GLU A 26 -5.549 16.478 -4.110 1.00 71.40 O ATOM 0 H GLU A 26 -3.242 14.499 0.583 1.00 54.10 H new ATOM 0 HA GLU A 26 -4.611 12.972 -1.383 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -2.928 15.441 -1.251 1.00 34.50 H new ATOM 0 HB3 GLU A 26 -3.057 14.664 -2.817 1.00 34.50 H new ATOM 0 HG2 GLU A 26 -5.651 14.945 -1.447 1.00 15.10 H new ATOM 0 HG3 GLU A 26 -4.856 16.479 -1.740 1.00 15.10 H new ATOM 413 N GLU A 27 -1.318 12.723 -1.285 1.00 25.20 N ATOM 414 CA GLU A 27 -0.191 11.912 -1.728 1.00 43.20 C ATOM 415 C GLU A 27 -0.262 10.509 -1.133 1.00 22.20 C ATOM 416 O GLU A 27 0.011 9.521 -1.812 1.00 74.20 O ATOM 417 CB GLU A 27 1.129 12.578 -1.335 1.00 32.50 C ATOM 418 CG GLU A 27 2.248 12.352 -2.339 1.00 23.10 C ATOM 419 CD GLU A 27 2.284 13.412 -3.422 1.00 70.30 C ATOM 420 OE1 GLU A 27 1.203 13.781 -3.927 1.00 55.40 O ATOM 421 OE2 GLU A 27 3.392 13.874 -3.764 1.00 44.10 O ATOM 0 H GLU A 27 -1.071 13.466 -0.632 1.00 25.20 H new ATOM 0 HA GLU A 27 -0.240 11.830 -2.814 1.00 43.20 H new ATOM 0 HB2 GLU A 27 0.966 13.650 -1.221 1.00 32.50 H new ATOM 0 HB3 GLU A 27 1.443 12.198 -0.363 1.00 32.50 H new ATOM 0 HG2 GLU A 27 3.204 12.341 -1.815 1.00 23.10 H new ATOM 0 HG3 GLU A 27 2.125 11.372 -2.799 1.00 23.10 H new ATOM 428 N ALA A 28 -0.632 10.432 0.142 1.00 23.10 N ATOM 429 CA ALA A 28 -0.739 9.151 0.830 1.00 1.35 C ATOM 430 C ALA A 28 -1.740 8.234 0.134 1.00 61.40 C ATOM 431 O ALA A 28 -1.573 7.015 0.119 1.00 4.51 O ATOM 432 CB ALA A 28 -1.138 9.365 2.282 1.00 32.40 C ATOM 0 H ALA A 28 -0.862 11.241 0.719 1.00 23.10 H new ATOM 0 HA ALA A 28 0.238 8.668 0.799 1.00 1.35 H new ATOM 0 HB1 ALA A 28 -1.214 8.401 2.784 1.00 32.40 H new ATOM 0 HB2 ALA A 28 -0.385 9.975 2.780 1.00 32.40 H new ATOM 0 HB3 ALA A 28 -2.101 9.873 2.323 1.00 32.40 H new ATOM 438 N LEU A 29 -2.780 8.829 -0.440 1.00 0.14 N ATOM 439 CA LEU A 29 -3.808 8.066 -1.139 1.00 61.00 C ATOM 440 C LEU A 29 -3.226 7.354 -2.356 1.00 72.50 C ATOM 441 O LEU A 29 -3.529 6.188 -2.610 1.00 70.00 O ATOM 442 CB LEU A 29 -4.952 8.984 -1.569 1.00 51.50 C ATOM 443 CG LEU A 29 -6.154 8.273 -2.194 1.00 63.30 C ATOM 444 CD1 LEU A 29 -7.092 7.760 -1.112 1.00 42.10 C ATOM 445 CD2 LEU A 29 -6.891 9.208 -3.141 1.00 55.50 C ATOM 0 H LEU A 29 -2.934 9.837 -0.435 1.00 0.14 H new ATOM 0 HA LEU A 29 -4.195 7.314 -0.452 1.00 61.00 H new ATOM 0 HB2 LEU A 29 -5.293 9.545 -0.699 1.00 51.50 H new ATOM 0 HB3 LEU A 29 -4.566 9.709 -2.285 1.00 51.50 H new ATOM 0 HG LEU A 29 -5.791 7.419 -2.766 1.00 63.30 H new ATOM 0 HD11 LEU A 29 -7.941 7.257 -1.575 1.00 42.10 H new ATOM 0 HD12 LEU A 29 -6.559 7.057 -0.472 1.00 42.10 H new ATOM 0 HD13 LEU A 29 -7.449 8.598 -0.513 1.00 42.10 H new ATOM 0 HD21 LEU A 29 -7.743 8.687 -3.577 1.00 55.50 H new ATOM 0 HD22 LEU A 29 -7.242 10.081 -2.590 1.00 55.50 H new ATOM 0 HD23 LEU A 29 -6.216 9.528 -3.935 1.00 55.50 H new ATOM 457 N ARG A 30 -2.388 8.063 -3.105 1.00 41.50 N ATOM 458 CA ARG A 30 -1.764 7.500 -4.297 1.00 44.40 C ATOM 459 C ARG A 30 -0.606 6.579 -3.921 1.00 12.10 C ATOM 460 O ARG A 30 -0.360 5.573 -4.586 1.00 54.50 O ATOM 461 CB ARG A 30 -1.266 8.619 -5.215 1.00 10.40 C ATOM 462 CG ARG A 30 -2.215 8.931 -6.361 1.00 40.10 C ATOM 463 CD ARG A 30 -2.936 10.253 -6.147 1.00 20.20 C ATOM 464 NE ARG A 30 -4.208 10.305 -6.863 1.00 52.00 N ATOM 465 CZ ARG A 30 -4.854 11.434 -7.147 1.00 40.10 C ATOM 466 NH1 ARG A 30 -4.352 12.605 -6.775 1.00 3.45 N ATOM 467 NH2 ARG A 30 -6.006 11.391 -7.802 1.00 34.40 N ATOM 0 H ARG A 30 -2.125 9.029 -2.908 1.00 41.50 H new ATOM 0 HA ARG A 30 -2.514 6.913 -4.827 1.00 44.40 H new ATOM 0 HB2 ARG A 30 -1.113 9.522 -4.624 1.00 10.40 H new ATOM 0 HB3 ARG A 30 -0.295 8.338 -5.624 1.00 10.40 H new ATOM 0 HG2 ARG A 30 -1.657 8.968 -7.297 1.00 40.10 H new ATOM 0 HG3 ARG A 30 -2.946 8.129 -6.457 1.00 40.10 H new ATOM 0 HD2 ARG A 30 -3.113 10.401 -5.082 1.00 20.20 H new ATOM 0 HD3 ARG A 30 -2.298 11.072 -6.481 1.00 20.20 H new ATOM 0 HE ARG A 30 -4.626 9.424 -7.163 1.00 52.00 H new ATOM 0 HH11 ARG A 30 -3.467 12.643 -6.269 1.00 3.45 H new ATOM 0 HH12 ARG A 30 -4.851 13.467 -6.995 1.00 3.45 H new ATOM 0 HH21 ARG A 30 -6.397 10.493 -8.088 1.00 34.40 H new ATOM 0 HH22 ARG A 30 -6.501 12.256 -8.020 1.00 34.40 H new ATOM 481 N LEU A 31 0.101 6.932 -2.852 1.00 64.10 N ATOM 482 CA LEU A 31 1.233 6.137 -2.389 1.00 73.50 C ATOM 483 C LEU A 31 0.772 4.781 -1.864 1.00 23.20 C ATOM 484 O LEU A 31 1.375 3.751 -2.163 1.00 64.30 O ATOM 485 CB LEU A 31 1.999 6.892 -1.298 1.00 42.30 C ATOM 486 CG LEU A 31 3.233 7.653 -1.783 1.00 24.40 C ATOM 487 CD1 LEU A 31 4.328 6.684 -2.202 1.00 1.41 C ATOM 488 CD2 LEU A 31 2.871 8.582 -2.933 1.00 74.00 C ATOM 0 H LEU A 31 -0.090 7.762 -2.291 1.00 64.10 H new ATOM 0 HA LEU A 31 1.896 5.966 -3.237 1.00 73.50 H new ATOM 0 HB2 LEU A 31 1.320 7.598 -0.821 1.00 42.30 H new ATOM 0 HB3 LEU A 31 2.308 6.180 -0.533 1.00 42.30 H new ATOM 0 HG LEU A 31 3.609 8.259 -0.958 1.00 24.40 H new ATOM 0 HD11 LEU A 31 5.198 7.244 -2.544 1.00 1.41 H new ATOM 0 HD12 LEU A 31 4.608 6.062 -1.352 1.00 1.41 H new ATOM 0 HD13 LEU A 31 3.963 6.050 -3.011 1.00 1.41 H new ATOM 0 HD21 LEU A 31 3.762 9.115 -3.265 1.00 74.00 H new ATOM 0 HD22 LEU A 31 2.469 7.997 -3.760 1.00 74.00 H new ATOM 0 HD23 LEU A 31 2.122 9.300 -2.599 1.00 74.00 H new ATOM 500 N TYR A 32 -0.300 4.789 -1.079 1.00 22.40 N ATOM 501 CA TYR A 32 -0.840 3.559 -0.511 1.00 24.40 C ATOM 502 C TYR A 32 -1.415 2.661 -1.603 1.00 41.40 C ATOM 503 O TYR A 32 -1.213 1.446 -1.590 1.00 52.40 O ATOM 504 CB TYR A 32 -1.920 3.882 0.525 1.00 73.50 C ATOM 505 CG TYR A 32 -1.441 3.764 1.955 1.00 73.40 C ATOM 506 CD1 TYR A 32 -0.985 2.552 2.456 1.00 72.40 C ATOM 507 CD2 TYR A 32 -1.445 4.865 2.802 1.00 42.20 C ATOM 508 CE1 TYR A 32 -0.546 2.440 3.763 1.00 72.40 C ATOM 509 CE2 TYR A 32 -1.008 4.761 4.108 1.00 14.10 C ATOM 510 CZ TYR A 32 -0.560 3.547 4.584 1.00 5.03 C ATOM 511 OH TYR A 32 -0.124 3.440 5.885 1.00 74.30 O ATOM 0 H TYR A 32 -0.812 5.633 -0.822 1.00 22.40 H new ATOM 0 HA TYR A 32 -0.025 3.026 -0.021 1.00 24.40 H new ATOM 0 HB2 TYR A 32 -2.284 4.895 0.355 1.00 73.50 H new ATOM 0 HB3 TYR A 32 -2.766 3.211 0.377 1.00 73.50 H new ATOM 0 HD1 TYR A 32 -0.973 1.683 1.815 1.00 72.40 H new ATOM 0 HD2 TYR A 32 -1.795 5.818 2.433 1.00 42.20 H new ATOM 0 HE1 TYR A 32 -0.194 1.490 4.138 1.00 72.40 H new ATOM 0 HE2 TYR A 32 -1.017 5.627 4.754 1.00 14.10 H new ATOM 0 HH TYR A 32 -0.198 4.311 6.327 1.00 74.30 H new ATOM 521 N GLN A 33 -2.134 3.266 -2.543 1.00 70.20 N ATOM 522 CA GLN A 33 -2.739 2.520 -3.642 1.00 63.10 C ATOM 523 C GLN A 33 -1.678 1.774 -4.446 1.00 43.10 C ATOM 524 O GLN A 33 -1.932 0.691 -4.972 1.00 1.25 O ATOM 525 CB GLN A 33 -3.518 3.466 -4.557 1.00 33.50 C ATOM 526 CG GLN A 33 -4.963 3.669 -4.134 1.00 33.10 C ATOM 527 CD GLN A 33 -5.691 4.671 -5.009 1.00 4.33 C ATOM 528 OE1 GLN A 33 -5.077 5.557 -5.601 1.00 1.42 O ATOM 529 NE2 GLN A 33 -7.010 4.534 -5.094 1.00 62.30 N ATOM 0 H GLN A 33 -2.312 4.270 -2.566 1.00 70.20 H new ATOM 0 HA GLN A 33 -3.425 1.788 -3.217 1.00 63.10 H new ATOM 0 HB2 GLN A 33 -3.015 4.433 -4.579 1.00 33.50 H new ATOM 0 HB3 GLN A 33 -3.498 3.073 -5.574 1.00 33.50 H new ATOM 0 HG2 GLN A 33 -5.486 2.713 -4.170 1.00 33.10 H new ATOM 0 HG3 GLN A 33 -4.990 4.009 -3.099 1.00 33.10 H new ATOM 0 HE21 GLN A 33 -7.479 3.784 -4.586 1.00 62.30 H new ATOM 0 HE22 GLN A 33 -7.554 5.179 -5.668 1.00 62.30 H new ATOM 538 N HIS A 34 -0.491 2.363 -4.539 1.00 64.30 N ATOM 539 CA HIS A 34 0.607 1.757 -5.281 1.00 4.02 C ATOM 540 C HIS A 34 1.164 0.544 -4.541 1.00 71.40 C ATOM 541 O HIS A 34 1.461 -0.485 -5.149 1.00 1.00 O ATOM 542 CB HIS A 34 1.720 2.782 -5.514 1.00 62.20 C ATOM 543 CG HIS A 34 1.574 3.543 -6.795 1.00 1.51 C ATOM 544 ND1 HIS A 34 2.610 3.716 -7.689 1.00 23.20 N ATOM 545 CD2 HIS A 34 0.506 4.179 -7.332 1.00 33.50 C ATOM 546 CE1 HIS A 34 2.185 4.426 -8.720 1.00 13.10 C ATOM 547 NE2 HIS A 34 0.912 4.718 -8.528 1.00 64.50 N ATOM 0 H HIS A 34 -0.265 3.260 -4.109 1.00 64.30 H new ATOM 0 HA HIS A 34 0.220 1.425 -6.244 1.00 4.02 H new ATOM 0 HB2 HIS A 34 1.734 3.486 -4.682 1.00 62.20 H new ATOM 0 HB3 HIS A 34 2.682 2.269 -5.513 1.00 62.20 H new ATOM 0 HD2 HIS A 34 -0.481 4.249 -6.900 1.00 33.50 H new ATOM 0 HE1 HIS A 34 2.778 4.718 -9.574 1.00 13.10 H new ATOM 0 HE2 HIS A 34 0.325 5.257 -9.165 1.00 64.50 H new ATOM 556 N ALA A 35 1.306 0.673 -3.226 1.00 32.50 N ATOM 557 CA ALA A 35 1.830 -0.413 -2.404 1.00 60.30 C ATOM 558 C ALA A 35 0.949 -1.653 -2.500 1.00 62.30 C ATOM 559 O ALA A 35 1.443 -2.781 -2.477 1.00 52.20 O ATOM 560 CB ALA A 35 1.953 0.036 -0.955 1.00 33.30 C ATOM 0 H ALA A 35 1.066 1.517 -2.707 1.00 32.50 H new ATOM 0 HA ALA A 35 2.819 -0.674 -2.780 1.00 60.30 H new ATOM 0 HB1 ALA A 35 2.345 -0.783 -0.352 1.00 33.30 H new ATOM 0 HB2 ALA A 35 2.631 0.888 -0.894 1.00 33.30 H new ATOM 0 HB3 ALA A 35 0.972 0.326 -0.579 1.00 33.30 H new ATOM 566 N VAL A 36 -0.358 -1.440 -2.608 1.00 12.00 N ATOM 567 CA VAL A 36 -1.306 -2.543 -2.708 1.00 63.10 C ATOM 568 C VAL A 36 -1.203 -3.237 -4.062 1.00 64.30 C ATOM 569 O VAL A 36 -1.418 -4.444 -4.171 1.00 72.40 O ATOM 570 CB VAL A 36 -2.755 -2.060 -2.499 1.00 14.10 C ATOM 571 CG1 VAL A 36 -3.714 -3.240 -2.464 1.00 33.40 C ATOM 572 CG2 VAL A 36 -2.864 -1.239 -1.223 1.00 34.30 C ATOM 0 H VAL A 36 -0.785 -0.514 -2.629 1.00 12.00 H new ATOM 0 HA VAL A 36 -1.050 -3.251 -1.920 1.00 63.10 H new ATOM 0 HB VAL A 36 -3.030 -1.424 -3.340 1.00 14.10 H new ATOM 0 HG11 VAL A 36 -4.731 -2.878 -2.316 1.00 33.40 H new ATOM 0 HG12 VAL A 36 -3.656 -3.784 -3.407 1.00 33.40 H new ATOM 0 HG13 VAL A 36 -3.443 -3.905 -1.644 1.00 33.40 H new ATOM 0 HG21 VAL A 36 -3.894 -0.906 -1.091 1.00 34.30 H new ATOM 0 HG22 VAL A 36 -2.568 -1.851 -0.371 1.00 34.30 H new ATOM 0 HG23 VAL A 36 -2.208 -0.371 -1.292 1.00 34.30 H new ATOM 582 N GLU A 37 -0.871 -2.466 -5.093 1.00 51.20 N ATOM 583 CA GLU A 37 -0.739 -3.008 -6.440 1.00 0.11 C ATOM 584 C GLU A 37 0.490 -3.904 -6.550 1.00 61.20 C ATOM 585 O GLU A 37 0.474 -4.914 -7.253 1.00 34.30 O ATOM 586 CB GLU A 37 -0.649 -1.872 -7.461 1.00 13.40 C ATOM 587 CG GLU A 37 -1.984 -1.204 -7.747 1.00 55.30 C ATOM 588 CD GLU A 37 -2.836 -1.997 -8.719 1.00 4.43 C ATOM 589 OE1 GLU A 37 -3.127 -3.176 -8.428 1.00 63.50 O ATOM 590 OE2 GLU A 37 -3.213 -1.439 -9.770 1.00 54.40 O ATOM 0 H GLU A 37 -0.689 -1.465 -5.021 1.00 51.20 H new ATOM 0 HA GLU A 37 -1.623 -3.609 -6.651 1.00 0.11 H new ATOM 0 HB2 GLU A 37 0.053 -1.122 -7.096 1.00 13.40 H new ATOM 0 HB3 GLU A 37 -0.241 -2.264 -8.393 1.00 13.40 H new ATOM 0 HG2 GLU A 37 -2.530 -1.076 -6.812 1.00 55.30 H new ATOM 0 HG3 GLU A 37 -1.808 -0.208 -8.153 1.00 55.30 H new ATOM 597 N TYR A 38 1.555 -3.527 -5.851 1.00 11.10 N ATOM 598 CA TYR A 38 2.795 -4.296 -5.870 1.00 73.40 C ATOM 599 C TYR A 38 2.649 -5.590 -5.076 1.00 41.30 C ATOM 600 O TYR A 38 3.250 -6.609 -5.414 1.00 54.30 O ATOM 601 CB TYR A 38 3.945 -3.463 -5.301 1.00 44.40 C ATOM 602 CG TYR A 38 4.659 -2.627 -6.340 1.00 12.10 C ATOM 603 CD1 TYR A 38 5.674 -3.168 -7.116 1.00 40.40 C ATOM 604 CD2 TYR A 38 4.315 -1.296 -6.543 1.00 4.50 C ATOM 605 CE1 TYR A 38 6.329 -2.408 -8.066 1.00 50.40 C ATOM 606 CE2 TYR A 38 4.965 -0.529 -7.492 1.00 41.50 C ATOM 607 CZ TYR A 38 5.970 -1.089 -8.250 1.00 54.40 C ATOM 608 OH TYR A 38 6.620 -0.330 -9.196 1.00 53.20 O ATOM 0 H TYR A 38 1.585 -2.693 -5.264 1.00 11.10 H new ATOM 0 HA TYR A 38 3.017 -4.551 -6.906 1.00 73.40 H new ATOM 0 HB2 TYR A 38 3.556 -2.806 -4.523 1.00 44.40 H new ATOM 0 HB3 TYR A 38 4.665 -4.129 -4.826 1.00 44.40 H new ATOM 0 HD1 TYR A 38 5.957 -4.201 -6.975 1.00 40.40 H new ATOM 0 HD2 TYR A 38 3.528 -0.854 -5.950 1.00 4.50 H new ATOM 0 HE1 TYR A 38 7.118 -2.844 -8.661 1.00 50.40 H new ATOM 0 HE2 TYR A 38 4.686 0.504 -7.638 1.00 41.50 H new ATOM 0 HH TYR A 38 6.247 0.576 -9.201 1.00 53.20 H new ATOM 618 N PHE A 39 1.848 -5.542 -4.017 1.00 32.50 N ATOM 619 CA PHE A 39 1.625 -6.710 -3.173 1.00 53.30 C ATOM 620 C PHE A 39 0.792 -7.759 -3.901 1.00 34.20 C ATOM 621 O PHE A 39 1.167 -8.931 -3.965 1.00 51.30 O ATOM 622 CB PHE A 39 0.929 -6.302 -1.873 1.00 74.40 C ATOM 623 CG PHE A 39 1.882 -5.936 -0.771 1.00 63.10 C ATOM 624 CD1 PHE A 39 2.805 -6.857 -0.302 1.00 15.20 C ATOM 625 CD2 PHE A 39 1.854 -4.671 -0.205 1.00 42.30 C ATOM 626 CE1 PHE A 39 3.683 -6.523 0.712 1.00 74.20 C ATOM 627 CE2 PHE A 39 2.730 -4.333 0.809 1.00 73.20 C ATOM 628 CZ PHE A 39 3.645 -5.259 1.268 1.00 42.50 C ATOM 0 H PHE A 39 1.342 -4.707 -3.723 1.00 32.50 H new ATOM 0 HA PHE A 39 2.596 -7.145 -2.936 1.00 53.30 H new ATOM 0 HB2 PHE A 39 0.274 -5.454 -2.072 1.00 74.40 H new ATOM 0 HB3 PHE A 39 0.295 -7.123 -1.537 1.00 74.40 H new ATOM 0 HD1 PHE A 39 2.839 -7.847 -0.733 1.00 15.20 H new ATOM 0 HD2 PHE A 39 1.140 -3.942 -0.560 1.00 42.30 H new ATOM 0 HE1 PHE A 39 4.398 -7.249 1.069 1.00 74.20 H new ATOM 0 HE2 PHE A 39 2.699 -3.344 1.242 1.00 73.20 H new ATOM 0 HZ PHE A 39 4.330 -4.996 2.060 1.00 42.50 H new ATOM 638 N LEU A 40 -0.342 -7.333 -4.450 1.00 32.00 N ATOM 639 CA LEU A 40 -1.229 -8.236 -5.174 1.00 4.31 C ATOM 640 C LEU A 40 -0.509 -8.879 -6.356 1.00 21.30 C ATOM 641 O LEU A 40 -0.602 -10.080 -6.570 1.00 63.20 O ATOM 642 CB LEU A 40 -2.470 -7.483 -5.661 1.00 52.20 C ATOM 643 CG LEU A 40 -3.719 -7.667 -4.798 1.00 11.10 C ATOM 644 CD1 LEU A 40 -4.605 -6.435 -4.874 1.00 2.52 C ATOM 645 CD2 LEU A 40 -4.487 -8.906 -5.232 1.00 2.30 C ATOM 0 H LEU A 40 -0.668 -6.367 -4.407 1.00 32.00 H new ATOM 0 HA LEU A 40 -1.538 -9.027 -4.491 1.00 4.31 H new ATOM 0 HB2 LEU A 40 -2.235 -6.420 -5.711 1.00 52.20 H new ATOM 0 HB3 LEU A 40 -2.698 -7.807 -6.677 1.00 52.20 H new ATOM 0 HG LEU A 40 -3.407 -7.801 -3.762 1.00 11.10 H new ATOM 0 HD11 LEU A 40 -5.489 -6.584 -4.254 1.00 2.52 H new ATOM 0 HD12 LEU A 40 -4.052 -5.567 -4.516 1.00 2.52 H new ATOM 0 HD13 LEU A 40 -4.910 -6.270 -5.907 1.00 2.52 H new ATOM 0 HD21 LEU A 40 -5.373 -9.022 -4.608 1.00 2.30 H new ATOM 0 HD22 LEU A 40 -4.789 -8.801 -6.274 1.00 2.30 H new ATOM 0 HD23 LEU A 40 -3.850 -9.784 -5.126 1.00 2.30 H new ATOM 657 N HIS A 41 0.209 -8.063 -7.120 1.00 5.34 N ATOM 658 CA HIS A 41 0.943 -8.551 -8.281 1.00 40.50 C ATOM 659 C HIS A 41 2.024 -9.546 -7.865 1.00 45.50 C ATOM 660 O HIS A 41 2.360 -10.460 -8.616 1.00 71.20 O ATOM 661 CB HIS A 41 1.574 -7.383 -9.041 1.00 20.20 C ATOM 662 CG HIS A 41 1.970 -7.726 -10.440 1.00 71.40 C ATOM 663 ND1 HIS A 41 1.472 -7.069 -11.540 1.00 20.50 N ATOM 664 CD2 HIS A 41 2.823 -8.665 -10.910 1.00 13.40 C ATOM 665 CE1 HIS A 41 2.000 -7.589 -12.640 1.00 62.00 C ATOM 666 NE2 HIS A 41 2.824 -8.557 -12.280 1.00 24.50 N ATOM 0 H HIS A 41 0.298 -7.060 -6.956 1.00 5.34 H new ATOM 0 HA HIS A 41 0.237 -9.062 -8.936 1.00 40.50 H new ATOM 0 HB2 HIS A 41 0.869 -6.552 -9.065 1.00 20.20 H new ATOM 0 HB3 HIS A 41 2.454 -7.039 -8.497 1.00 20.20 H new ATOM 0 HD2 HIS A 41 3.395 -9.366 -10.320 1.00 13.40 H new ATOM 0 HE1 HIS A 41 1.793 -7.276 -13.653 1.00 62.00 H new ATOM 0 HE2 HIS A 41 3.374 -9.133 -12.918 1.00 24.50 H new ATOM 675 N ALA A 42 2.565 -9.357 -6.666 1.00 14.40 N ATOM 676 CA ALA A 42 3.608 -10.230 -6.152 1.00 33.40 C ATOM 677 C ALA A 42 3.052 -11.620 -5.835 1.00 53.40 C ATOM 678 O ALA A 42 3.748 -12.620 -5.977 1.00 32.40 O ATOM 679 CB ALA A 42 4.249 -9.628 -4.915 1.00 13.20 C ATOM 0 H ALA A 42 2.296 -8.604 -6.032 1.00 14.40 H new ATOM 0 HA ALA A 42 4.369 -10.333 -6.925 1.00 33.40 H new ATOM 0 HB1 ALA A 42 5.027 -10.297 -4.546 1.00 13.20 H new ATOM 0 HB2 ALA A 42 4.689 -8.663 -5.166 1.00 13.20 H new ATOM 0 HB3 ALA A 42 3.492 -9.491 -4.143 1.00 13.20 H new ATOM 685 N ILE A 43 1.797 -11.660 -5.404 1.00 40.40 N ATOM 686 CA ILE A 43 1.149 -12.920 -5.065 1.00 22.30 C ATOM 687 C ILE A 43 0.706 -13.670 -6.321 1.00 53.30 C ATOM 688 O ILE A 43 0.892 -14.880 -6.433 1.00 1.35 O ATOM 689 CB ILE A 43 -0.075 -12.700 -4.154 1.00 42.30 C ATOM 690 CG1 ILE A 43 0.300 -11.820 -2.960 1.00 4.24 C ATOM 691 CG2 ILE A 43 -0.635 -14.030 -3.682 1.00 63.30 C ATOM 692 CD1 ILE A 43 -0.860 -11.020 -2.409 1.00 61.00 C ATOM 0 H ILE A 43 1.209 -10.836 -5.281 1.00 40.40 H new ATOM 0 HA ILE A 43 1.887 -13.517 -4.530 1.00 22.30 H new ATOM 0 HB ILE A 43 -0.847 -12.189 -4.730 1.00 42.30 H new ATOM 0 HG12 ILE A 43 0.705 -12.450 -2.168 1.00 4.24 H new ATOM 0 HG13 ILE A 43 1.093 -11.135 -3.259 1.00 4.24 H new ATOM 0 HG21 ILE A 43 -1.498 -13.854 -3.040 1.00 63.30 H new ATOM 0 HG22 ILE A 43 -0.939 -14.623 -4.544 1.00 63.30 H new ATOM 0 HG23 ILE A 43 0.130 -14.569 -3.122 1.00 63.30 H new ATOM 0 HD11 ILE A 43 -0.520 -10.420 -1.565 1.00 61.00 H new ATOM 0 HD12 ILE A 43 -1.251 -10.364 -3.186 1.00 61.00 H new ATOM 0 HD13 ILE A 43 -1.646 -11.699 -2.078 1.00 61.00 H new ATOM 704 N LYS A 44 0.118 -12.940 -7.261 1.00 51.40 N ATOM 705 CA LYS A 44 -0.353 -13.530 -8.508 1.00 25.10 C ATOM 706 C LYS A 44 0.796 -14.180 -9.270 1.00 4.20 C ATOM 707 O LYS A 44 0.718 -15.350 -9.648 1.00 72.10 O ATOM 708 CB LYS A 44 -1.021 -12.460 -9.381 1.00 71.50 C ATOM 709 CG LYS A 44 -2.303 -12.940 -10.040 1.00 31.00 C ATOM 710 CD LYS A 44 -2.543 -12.220 -11.360 1.00 23.20 C ATOM 711 CE LYS A 44 -2.174 -13.110 -12.550 1.00 31.20 C ATOM 712 NZ LYS A 44 -3.374 -13.730 -13.170 1.00 63.30 N ATOM 0 H LYS A 44 -0.044 -11.936 -7.183 1.00 51.40 H new ATOM 0 HA LYS A 44 -1.084 -14.301 -8.264 1.00 25.10 H new ATOM 0 HB2 LYS A 44 -1.240 -11.586 -8.768 1.00 71.50 H new ATOM 0 HB3 LYS A 44 -0.321 -12.141 -10.153 1.00 71.50 H new ATOM 0 HG2 LYS A 44 -2.246 -14.015 -10.213 1.00 31.00 H new ATOM 0 HG3 LYS A 44 -3.146 -12.769 -9.370 1.00 31.00 H new ATOM 0 HD2 LYS A 44 -3.590 -11.927 -11.432 1.00 23.20 H new ATOM 0 HD3 LYS A 44 -1.953 -11.304 -11.390 1.00 23.20 H new ATOM 0 HE2 LYS A 44 -1.645 -12.518 -13.296 1.00 31.20 H new ATOM 0 HE3 LYS A 44 -1.490 -13.892 -12.220 1.00 31.20 H new ATOM 0 HZ1 LYS A 44 -3.082 -14.325 -13.972 1.00 63.30 H new ATOM 0 HZ2 LYS A 44 -3.866 -14.316 -12.465 1.00 63.30 H new ATOM 0 HZ3 LYS A 44 -4.015 -12.984 -13.508 1.00 63.30 H new ATOM 726 N TYR A 45 1.860 -13.420 -9.495 1.00 73.40 N ATOM 727 CA TYR A 45 3.025 -13.920 -10.210 1.00 51.10 C ATOM 728 C TYR A 45 3.883 -14.800 -9.310 1.00 3.34 C ATOM 729 O TYR A 45 4.038 -16.000 -9.555 1.00 71.00 O ATOM 730 CB TYR A 45 3.859 -12.760 -10.750 1.00 2.32 C ATOM 731 CG TYR A 45 3.254 -12.100 -11.970 1.00 30.10 C ATOM 732 CD1 TYR A 45 1.971 -11.570 -11.930 1.00 24.30 C ATOM 733 CD2 TYR A 45 3.966 -12.000 -13.160 1.00 43.50 C ATOM 734 CE1 TYR A 45 1.414 -10.960 -13.040 1.00 31.40 C ATOM 735 CE2 TYR A 45 3.417 -11.390 -14.270 1.00 53.40 C ATOM 736 CZ TYR A 45 2.141 -10.880 -14.210 1.00 52.20 C ATOM 737 OH TYR A 45 1.590 -10.270 -15.310 1.00 50.20 O ATOM 0 H TYR A 45 1.939 -12.450 -9.190 1.00 73.40 H new ATOM 0 HA TYR A 45 2.671 -14.523 -11.046 1.00 51.10 H new ATOM 0 HB2 TYR A 45 3.980 -12.013 -9.965 1.00 2.32 H new ATOM 0 HB3 TYR A 45 4.855 -13.124 -11.000 1.00 2.32 H new ATOM 0 HD1 TYR A 45 1.398 -11.635 -11.017 1.00 24.30 H new ATOM 0 HD2 TYR A 45 4.965 -12.406 -13.217 1.00 43.50 H new ATOM 0 HE1 TYR A 45 0.416 -10.549 -12.991 1.00 31.40 H new ATOM 0 HE2 TYR A 45 3.988 -11.313 -15.183 1.00 53.40 H new ATOM 0 HH TYR A 45 2.229 -10.295 -16.052 1.00 50.20 H new ATOM 747 N GLU A 46 4.441 -14.200 -8.263 1.00 1.20 N ATOM 748 CA GLU A 46 5.284 -14.930 -7.323 1.00 4.52 C ATOM 749 C GLU A 46 4.456 -15.500 -6.178 1.00 1.13 C ATOM 750 O GLU A 46 4.337 -14.890 -5.118 1.00 21.20 O ATOM 751 CB GLU A 46 6.377 -14.010 -6.770 1.00 32.40 C ATOM 752 CG GLU A 46 7.614 -13.940 -7.651 1.00 64.40 C ATOM 753 CD GLU A 46 8.890 -13.770 -6.849 1.00 44.10 C ATOM 754 OE1 GLU A 46 8.969 -12.800 -6.058 1.00 72.10 O ATOM 755 OE2 GLU A 46 9.810 -14.590 -7.012 1.00 71.20 O ATOM 0 H GLU A 46 4.325 -13.211 -8.044 1.00 1.20 H new ATOM 0 HA GLU A 46 5.749 -15.759 -7.857 1.00 4.52 H new ATOM 0 HB2 GLU A 46 5.969 -13.006 -6.649 1.00 32.40 H new ATOM 0 HB3 GLU A 46 6.666 -14.358 -5.778 1.00 32.40 H new ATOM 0 HG2 GLU A 46 7.683 -14.849 -8.248 1.00 64.40 H new ATOM 0 HG3 GLU A 46 7.513 -13.108 -8.348 1.00 64.40 H new ATOM 762 N ALA A 47 3.886 -16.680 -6.398 1.00 60.30 N ATOM 763 CA ALA A 47 3.069 -17.340 -5.383 1.00 51.40 C ATOM 764 C ALA A 47 3.933 -18.140 -4.418 1.00 50.20 C ATOM 765 O ALA A 47 4.703 -19.000 -4.834 1.00 31.20 O ATOM 766 CB ALA A 47 2.031 -18.230 -6.041 1.00 32.40 C ATOM 0 H ALA A 47 3.974 -17.200 -7.271 1.00 60.30 H new ATOM 0 HA ALA A 47 2.553 -16.571 -4.807 1.00 51.40 H new ATOM 0 HB1 ALA A 47 1.429 -18.716 -5.273 1.00 32.40 H new ATOM 0 HB2 ALA A 47 1.386 -17.626 -6.680 1.00 32.40 H new ATOM 0 HB3 ALA A 47 2.531 -18.988 -6.644 1.00 32.40 H new ATOM 772 N HIS A 48 3.797 -17.850 -3.129 1.00 72.50 N ATOM 773 CA HIS A 48 4.565 -18.550 -2.104 1.00 21.30 C ATOM 774 C HIS A 48 3.675 -19.510 -1.320 1.00 43.40 C ATOM 775 O HIS A 48 2.553 -19.800 -1.730 1.00 62.10 O ATOM 776 CB HIS A 48 5.219 -17.540 -1.155 1.00 3.55 C ATOM 777 CG HIS A 48 6.715 -17.560 -1.196 1.00 14.30 C ATOM 778 ND1 HIS A 48 7.473 -16.520 -1.683 1.00 52.40 N ATOM 779 CD2 HIS A 48 7.597 -18.520 -0.806 1.00 73.40 C ATOM 780 CE1 HIS A 48 8.755 -16.830 -1.593 1.00 24.30 C ATOM 781 NE2 HIS A 48 8.856 -18.030 -1.063 1.00 0.31 N ATOM 0 H HIS A 48 3.164 -17.136 -2.769 1.00 72.50 H new ATOM 0 HA HIS A 48 5.345 -19.132 -2.596 1.00 21.30 H new ATOM 0 HB2 HIS A 48 4.870 -16.539 -1.408 1.00 3.55 H new ATOM 0 HB3 HIS A 48 4.889 -17.745 -0.137 1.00 3.55 H new ATOM 0 HD2 HIS A 48 7.355 -19.481 -0.377 1.00 73.40 H new ATOM 0 HE1 HIS A 48 9.579 -16.204 -1.902 1.00 24.30 H new ATOM 0 HE2 HIS A 48 9.730 -18.520 -0.873 1.00 0.31 H new ATOM 790 N SER A 49 4.183 -19.990 -0.190 1.00 3.15 N ATOM 791 CA SER A 49 3.433 -20.920 0.649 1.00 33.30 C ATOM 792 C SER A 49 2.165 -20.260 1.186 1.00 70.20 C ATOM 793 O SER A 49 1.970 -19.060 1.041 1.00 3.24 O ATOM 794 CB SER A 49 4.301 -21.410 1.811 1.00 22.30 C ATOM 795 OG SER A 49 4.075 -22.780 2.077 1.00 31.10 O ATOM 0 H SER A 49 5.109 -19.752 0.166 1.00 3.15 H new ATOM 0 HA SER A 49 3.147 -21.775 0.037 1.00 33.30 H new ATOM 0 HB2 SER A 49 5.353 -21.252 1.574 1.00 22.30 H new ATOM 0 HB3 SER A 49 4.083 -20.823 2.703 1.00 22.30 H new ATOM 0 HG SER A 49 4.643 -23.067 2.822 1.00 31.10 H new ATOM 801 N ASP A 50 1.305 -21.070 1.804 1.00 71.40 N ATOM 802 CA ASP A 50 0.055 -20.560 2.361 1.00 3.31 C ATOM 803 C ASP A 50 0.318 -19.500 3.425 1.00 43.20 C ATOM 804 O ASP A 50 -0.478 -18.580 3.609 1.00 71.00 O ATOM 805 CB ASP A 50 -0.759 -21.710 2.960 1.00 32.30 C ATOM 806 CG ASP A 50 0.026 -22.500 3.991 1.00 14.40 C ATOM 807 OD1 ASP A 50 0.739 -23.450 3.599 1.00 71.50 O ATOM 808 OD2 ASP A 50 -0.072 -22.170 5.192 1.00 51.30 O ATOM 0 H ASP A 50 1.450 -22.072 1.930 1.00 71.40 H new ATOM 0 HA ASP A 50 -0.512 -20.097 1.553 1.00 3.31 H new ATOM 0 HB2 ASP A 50 -1.661 -21.310 3.423 1.00 32.30 H new ATOM 0 HB3 ASP A 50 -1.080 -22.379 2.161 1.00 32.30 H new ATOM 813 N LYS A 51 1.441 -19.640 4.124 1.00 13.10 N ATOM 814 CA LYS A 51 1.808 -18.690 5.170 1.00 32.20 C ATOM 815 C LYS A 51 2.075 -17.310 4.582 1.00 5.05 C ATOM 816 O LYS A 51 1.539 -16.310 5.058 1.00 22.30 O ATOM 817 CB LYS A 51 3.043 -19.190 5.926 1.00 70.10 C ATOM 818 CG LYS A 51 2.881 -19.160 7.437 1.00 15.30 C ATOM 819 CD LYS A 51 4.144 -18.670 8.127 1.00 52.10 C ATOM 820 CE LYS A 51 4.331 -19.340 9.483 1.00 44.30 C ATOM 821 NZ LYS A 51 5.334 -20.430 9.431 1.00 53.40 N ATOM 0 H LYS A 51 2.110 -20.398 3.986 1.00 13.10 H new ATOM 0 HA LYS A 51 0.973 -18.608 5.866 1.00 32.20 H new ATOM 0 HB2 LYS A 51 3.263 -20.210 5.612 1.00 70.10 H new ATOM 0 HB3 LYS A 51 3.902 -18.579 5.648 1.00 70.10 H new ATOM 0 HG2 LYS A 51 2.046 -18.510 7.701 1.00 15.30 H new ATOM 0 HG3 LYS A 51 2.634 -20.159 7.797 1.00 15.30 H new ATOM 0 HD2 LYS A 51 5.009 -18.875 7.496 1.00 52.10 H new ATOM 0 HD3 LYS A 51 4.094 -17.589 8.257 1.00 52.10 H new ATOM 0 HE2 LYS A 51 4.643 -18.595 10.215 1.00 44.30 H new ATOM 0 HE3 LYS A 51 3.377 -19.742 9.823 1.00 44.30 H new ATOM 0 HZ1 LYS A 51 5.430 -20.858 10.374 1.00 53.40 H new ATOM 0 HZ2 LYS A 51 5.025 -21.154 8.751 1.00 53.40 H new ATOM 0 HZ3 LYS A 51 6.252 -20.043 9.131 1.00 53.40 H new ATOM 835 N ALA A 52 2.909 -17.260 3.548 1.00 71.40 N ATOM 836 CA ALA A 52 3.247 -16.000 2.898 1.00 21.10 C ATOM 837 C ALA A 52 2.069 -15.460 2.093 1.00 74.50 C ATOM 838 O ALA A 52 1.863 -14.250 2.012 1.00 32.50 O ATOM 839 CB ALA A 52 4.462 -16.180 2.001 1.00 31.30 C ATOM 0 H ALA A 52 3.363 -18.078 3.143 1.00 71.40 H new ATOM 0 HA ALA A 52 3.484 -15.273 3.674 1.00 21.10 H new ATOM 0 HB1 ALA A 52 4.704 -15.232 1.521 1.00 31.30 H new ATOM 0 HB2 ALA A 52 5.311 -16.511 2.600 1.00 31.30 H new ATOM 0 HB3 ALA A 52 4.243 -16.927 1.238 1.00 31.30 H new ATOM 845 N LYS A 53 1.300 -16.370 1.499 1.00 31.50 N ATOM 846 CA LYS A 53 0.142 -15.980 0.699 1.00 21.30 C ATOM 847 C LYS A 53 -0.905 -15.280 1.559 1.00 4.24 C ATOM 848 O LYS A 53 -1.405 -14.220 1.203 1.00 33.20 O ATOM 849 CB LYS A 53 -0.470 -17.210 0.026 1.00 63.10 C ATOM 850 CG LYS A 53 -1.284 -16.880 -1.215 1.00 73.50 C ATOM 851 CD LYS A 53 -1.151 -17.970 -2.271 1.00 45.20 C ATOM 852 CE LYS A 53 -2.068 -17.710 -3.455 1.00 71.40 C ATOM 853 NZ LYS A 53 -2.450 -18.970 -4.149 1.00 11.40 N ATOM 0 H LYS A 53 1.457 -17.376 1.556 1.00 31.50 H new ATOM 0 HA LYS A 53 0.477 -15.281 -0.068 1.00 21.30 H new ATOM 0 HB2 LYS A 53 0.328 -17.901 -0.246 1.00 63.10 H new ATOM 0 HB3 LYS A 53 -1.108 -17.727 0.743 1.00 63.10 H new ATOM 0 HG2 LYS A 53 -2.333 -16.760 -0.943 1.00 73.50 H new ATOM 0 HG3 LYS A 53 -0.951 -15.928 -1.628 1.00 73.50 H new ATOM 0 HD2 LYS A 53 -0.118 -18.022 -2.614 1.00 45.20 H new ATOM 0 HD3 LYS A 53 -1.390 -18.938 -1.829 1.00 45.20 H new ATOM 0 HE2 LYS A 53 -2.967 -17.198 -3.112 1.00 71.40 H new ATOM 0 HE3 LYS A 53 -1.571 -17.044 -4.160 1.00 71.40 H new ATOM 0 HZ1 LYS A 53 -3.075 -18.749 -4.950 1.00 11.40 H new ATOM 0 HZ2 LYS A 53 -1.594 -19.447 -4.499 1.00 11.40 H new ATOM 0 HZ3 LYS A 53 -2.947 -19.596 -3.484 1.00 11.40 H new ATOM 867 N GLU A 54 -1.235 -15.890 2.693 1.00 60.00 N ATOM 868 CA GLU A 54 -2.226 -15.330 3.604 1.00 53.10 C ATOM 869 C GLU A 54 -1.719 -14.030 4.227 1.00 50.30 C ATOM 870 O GLU A 54 -2.485 -13.090 4.436 1.00 4.50 O ATOM 871 CB GLU A 54 -2.569 -16.340 4.702 1.00 64.30 C ATOM 872 CG GLU A 54 -3.909 -17.030 4.497 1.00 22.40 C ATOM 873 CD GLU A 54 -3.786 -18.540 4.428 1.00 24.40 C ATOM 874 OE1 GLU A 54 -3.220 -19.130 5.371 1.00 12.10 O ATOM 875 OE2 GLU A 54 -4.257 -19.130 3.433 1.00 71.10 O ATOM 0 H GLU A 54 -0.830 -16.773 3.003 1.00 60.00 H new ATOM 0 HA GLU A 54 -3.127 -15.109 3.032 1.00 53.10 H new ATOM 0 HB2 GLU A 54 -1.784 -17.095 4.748 1.00 64.30 H new ATOM 0 HB3 GLU A 54 -2.576 -15.829 5.665 1.00 64.30 H new ATOM 0 HG2 GLU A 54 -4.580 -16.761 5.313 1.00 22.40 H new ATOM 0 HG3 GLU A 54 -4.364 -16.664 3.577 1.00 22.40 H new ATOM 882 N SER A 55 -0.423 -13.990 4.520 1.00 21.30 N ATOM 883 CA SER A 55 0.186 -12.810 5.120 1.00 65.40 C ATOM 884 C SER A 55 0.047 -11.600 4.202 1.00 43.30 C ATOM 885 O SER A 55 -0.347 -10.520 4.640 1.00 65.40 O ATOM 886 CB SER A 55 1.664 -13.070 5.419 1.00 3.51 C ATOM 887 OG SER A 55 2.065 -12.420 6.610 1.00 14.30 O ATOM 0 H SER A 55 0.224 -14.760 4.352 1.00 21.30 H new ATOM 0 HA SER A 55 -0.335 -12.597 6.053 1.00 65.40 H new ATOM 0 HB2 SER A 55 1.836 -14.142 5.511 1.00 3.51 H new ATOM 0 HB3 SER A 55 2.274 -12.719 4.587 1.00 3.51 H new ATOM 0 HG SER A 55 3.013 -12.603 6.780 1.00 14.30 H new ATOM 893 N ILE A 56 0.375 -11.790 2.929 1.00 54.50 N ATOM 894 CA ILE A 56 0.290 -10.710 1.949 1.00 75.40 C ATOM 895 C ILE A 56 -1.162 -10.360 1.644 1.00 3.12 C ATOM 896 O ILE A 56 -1.525 -9.187 1.577 1.00 2.14 O ATOM 897 CB ILE A 56 1.003 -11.090 0.635 1.00 70.10 C ATOM 898 CG1 ILE A 56 2.420 -11.590 0.924 1.00 72.20 C ATOM 899 CG2 ILE A 56 1.039 -9.899 -0.310 1.00 12.10 C ATOM 900 CD1 ILE A 56 2.934 -12.570 -0.107 1.00 43.10 C ATOM 0 H ILE A 56 0.702 -12.679 2.551 1.00 54.50 H new ATOM 0 HA ILE A 56 0.785 -9.843 2.386 1.00 75.40 H new ATOM 0 HB ILE A 56 0.445 -11.894 0.155 1.00 70.10 H new ATOM 0 HG12 ILE A 56 3.096 -10.736 0.971 1.00 72.20 H new ATOM 0 HG13 ILE A 56 2.437 -12.064 1.905 1.00 72.20 H new ATOM 0 HG21 ILE A 56 1.545 -10.182 -1.233 1.00 12.10 H new ATOM 0 HG22 ILE A 56 0.021 -9.583 -0.537 1.00 12.10 H new ATOM 0 HG23 ILE A 56 1.577 -9.077 0.161 1.00 12.10 H new ATOM 0 HD11 ILE A 56 3.943 -12.883 0.160 1.00 43.10 H new ATOM 0 HD12 ILE A 56 2.280 -13.441 -0.138 1.00 43.10 H new ATOM 0 HD13 ILE A 56 2.950 -12.093 -1.087 1.00 43.10 H new ATOM 912 N ARG A 57 -1.989 -11.380 1.456 1.00 52.40 N ATOM 913 CA ARG A 57 -3.402 -11.180 1.156 1.00 54.10 C ATOM 914 C ARG A 57 -4.095 -10.410 2.275 1.00 32.50 C ATOM 915 O ARG A 57 -4.896 -9.512 2.021 1.00 22.00 O ATOM 916 CB ARG A 57 -4.099 -12.520 0.939 1.00 25.30 C ATOM 917 CG ARG A 57 -5.173 -12.480 -0.136 1.00 73.10 C ATOM 918 CD ARG A 57 -4.600 -12.800 -1.508 1.00 52.40 C ATOM 919 NE ARG A 57 -5.609 -12.700 -2.559 1.00 73.30 N ATOM 920 CZ ARG A 57 -5.324 -12.580 -3.854 1.00 11.50 C ATOM 921 NH1 ARG A 57 -4.061 -12.540 -4.260 1.00 13.10 N ATOM 922 NH2 ARG A 57 -6.303 -12.510 -4.744 1.00 41.00 N ATOM 0 H ARG A 57 -1.705 -12.358 1.506 1.00 52.40 H new ATOM 0 HA ARG A 57 -3.468 -10.593 0.240 1.00 54.10 H new ATOM 0 HB2 ARG A 57 -3.354 -13.268 0.669 1.00 25.30 H new ATOM 0 HB3 ARG A 57 -4.548 -12.843 1.878 1.00 25.30 H new ATOM 0 HG2 ARG A 57 -5.959 -13.195 0.107 1.00 73.10 H new ATOM 0 HG3 ARG A 57 -5.634 -11.493 -0.154 1.00 73.10 H new ATOM 0 HD2 ARG A 57 -3.780 -12.116 -1.727 1.00 52.40 H new ATOM 0 HD3 ARG A 57 -4.183 -13.807 -1.501 1.00 52.40 H new ATOM 0 HE ARG A 57 -6.591 -12.723 -2.284 1.00 73.30 H new ATOM 0 HH11 ARG A 57 -3.304 -12.601 -3.579 1.00 13.10 H new ATOM 0 HH12 ARG A 57 -3.847 -12.448 -5.253 1.00 13.10 H new ATOM 0 HH21 ARG A 57 -7.275 -12.548 -4.437 1.00 41.00 H new ATOM 0 HH22 ARG A 57 -6.085 -12.418 -5.736 1.00 41.00 H new ATOM 936 N ALA A 58 -3.782 -10.770 3.516 1.00 5.22 N ATOM 937 CA ALA A 58 -4.376 -10.110 4.675 1.00 54.00 C ATOM 938 C ALA A 58 -3.913 -8.665 4.785 1.00 74.00 C ATOM 939 O ALA A 58 -4.645 -7.805 5.278 1.00 40.30 O ATOM 940 CB ALA A 58 -4.034 -10.870 5.945 1.00 15.30 C ATOM 0 H ALA A 58 -3.122 -11.513 3.745 1.00 5.22 H new ATOM 0 HA ALA A 58 -5.458 -10.107 4.543 1.00 54.00 H new ATOM 0 HB1 ALA A 58 -4.483 -10.367 6.802 1.00 15.30 H new ATOM 0 HB2 ALA A 58 -4.422 -11.886 5.876 1.00 15.30 H new ATOM 0 HB3 ALA A 58 -2.952 -10.902 6.069 1.00 15.30 H new ATOM 946 N LYS A 59 -2.695 -8.400 4.327 1.00 71.40 N ATOM 947 CA LYS A 59 -2.135 -7.055 4.377 1.00 63.20 C ATOM 948 C LYS A 59 -2.827 -6.138 3.372 1.00 70.20 C ATOM 949 O LYS A 59 -3.014 -4.948 3.630 1.00 10.20 O ATOM 950 CB LYS A 59 -0.630 -7.096 4.098 1.00 53.10 C ATOM 951 CG LYS A 59 0.222 -7.029 5.356 1.00 50.30 C ATOM 952 CD LYS A 59 1.334 -8.067 5.338 1.00 11.10 C ATOM 953 CE LYS A 59 1.481 -8.749 6.689 1.00 52.40 C ATOM 954 NZ LYS A 59 2.909 -8.994 7.035 1.00 25.50 N ATOM 0 H LYS A 59 -2.076 -9.099 3.917 1.00 71.40 H new ATOM 0 HA LYS A 59 -2.301 -6.656 5.378 1.00 63.20 H new ATOM 0 HB2 LYS A 59 -0.394 -8.012 3.557 1.00 53.10 H new ATOM 0 HB3 LYS A 59 -0.367 -6.264 3.446 1.00 53.10 H new ATOM 0 HG2 LYS A 59 0.655 -6.033 5.450 1.00 50.30 H new ATOM 0 HG3 LYS A 59 -0.408 -7.186 6.231 1.00 50.30 H new ATOM 0 HD2 LYS A 59 1.123 -8.814 4.573 1.00 11.10 H new ATOM 0 HD3 LYS A 59 2.275 -7.589 5.066 1.00 11.10 H new ATOM 0 HE2 LYS A 59 1.022 -8.130 7.460 1.00 52.40 H new ATOM 0 HE3 LYS A 59 0.942 -9.697 6.678 1.00 52.40 H new ATOM 0 HZ1 LYS A 59 2.966 -9.460 7.963 1.00 25.50 H new ATOM 0 HZ2 LYS A 59 3.341 -9.605 6.313 1.00 25.50 H new ATOM 0 HZ3 LYS A 59 3.418 -8.088 7.071 1.00 25.50 H new ATOM 968 N CYS A 60 -3.206 -6.698 2.229 1.00 53.50 N ATOM 969 CA CYS A 60 -3.878 -5.929 1.186 1.00 21.20 C ATOM 970 C CYS A 60 -5.260 -5.477 1.647 1.00 63.10 C ATOM 971 O CYS A 60 -5.731 -4.406 1.264 1.00 52.10 O ATOM 972 CB CYS A 60 -4.000 -6.761 -0.091 1.00 30.10 C ATOM 973 SG CYS A 60 -2.510 -6.765 -1.116 1.00 55.40 S ATOM 0 H CYS A 60 -3.060 -7.681 2.000 1.00 53.50 H new ATOM 0 HA CYS A 60 -3.277 -5.043 0.978 1.00 21.20 H new ATOM 0 HB2 CYS A 60 -4.244 -7.788 0.180 1.00 30.10 H new ATOM 0 HB3 CYS A 60 -4.833 -6.380 -0.682 1.00 30.10 H new ATOM 0 HG CYS A 60 -2.430 -7.891 -1.761 1.00 55.40 H new ATOM 979 N VAL A 61 -5.904 -6.299 2.469 1.00 30.30 N ATOM 980 CA VAL A 61 -7.232 -5.982 2.979 1.00 61.20 C ATOM 981 C VAL A 61 -7.193 -4.771 3.903 1.00 0.12 C ATOM 982 O VAL A 61 -8.017 -3.862 3.788 1.00 20.40 O ATOM 983 CB VAL A 61 -7.841 -7.174 3.740 1.00 13.20 C ATOM 984 CG1 VAL A 61 -9.296 -6.900 4.090 1.00 55.10 C ATOM 985 CG2 VAL A 61 -7.714 -8.451 2.923 1.00 51.30 C ATOM 0 H VAL A 61 -5.528 -7.189 2.796 1.00 30.30 H new ATOM 0 HA VAL A 61 -7.856 -5.755 2.114 1.00 61.20 H new ATOM 0 HB VAL A 61 -7.287 -7.307 4.669 1.00 13.20 H new ATOM 0 HG11 VAL A 61 -9.708 -7.754 4.627 1.00 55.10 H new ATOM 0 HG12 VAL A 61 -9.358 -6.012 4.719 1.00 55.10 H new ATOM 0 HG13 VAL A 61 -9.866 -6.738 3.175 1.00 55.10 H new ATOM 0 HG21 VAL A 61 -8.150 -9.282 3.477 1.00 51.30 H new ATOM 0 HG22 VAL A 61 -8.240 -8.331 1.976 1.00 51.30 H new ATOM 0 HG23 VAL A 61 -6.661 -8.656 2.730 1.00 51.30 H new ATOM 995 N GLN A 62 -6.234 -4.763 4.823 1.00 25.50 N ATOM 996 CA GLN A 62 -6.089 -3.664 5.770 1.00 31.20 C ATOM 997 C GLN A 62 -5.612 -2.397 5.066 1.00 24.30 C ATOM 998 O GLN A 62 -6.104 -1.302 5.339 1.00 54.30 O ATOM 999 CB GLN A 62 -5.106 -4.045 6.878 1.00 54.10 C ATOM 1000 CG GLN A 62 -5.777 -4.623 8.113 1.00 54.30 C ATOM 1001 CD GLN A 62 -5.643 -6.131 8.198 1.00 14.50 C ATOM 1002 OE1 GLN A 62 -5.876 -6.843 7.221 1.00 61.10 O ATOM 1003 NE2 GLN A 62 -5.266 -6.626 9.371 1.00 71.50 N ATOM 0 H GLN A 62 -5.545 -5.507 4.933 1.00 25.50 H new ATOM 0 HA GLN A 62 -7.066 -3.467 6.211 1.00 31.20 H new ATOM 0 HB2 GLN A 62 -4.395 -4.772 6.487 1.00 54.10 H new ATOM 0 HB3 GLN A 62 -4.534 -3.162 7.165 1.00 54.10 H new ATOM 0 HG2 GLN A 62 -5.340 -4.172 9.004 1.00 54.30 H new ATOM 0 HG3 GLN A 62 -6.834 -4.356 8.106 1.00 54.30 H new ATOM 0 HE21 GLN A 62 -5.083 -5.999 10.154 1.00 71.50 H new ATOM 0 HE22 GLN A 62 -5.159 -7.634 9.489 1.00 71.50 H new ATOM 1012 N TYR A 63 -4.652 -2.553 4.160 1.00 3.21 N ATOM 1013 CA TYR A 63 -4.107 -1.421 3.420 1.00 3.24 C ATOM 1014 C TYR A 63 -5.199 -0.711 2.623 1.00 43.30 C ATOM 1015 O TYR A 63 -5.182 0.512 2.485 1.00 50.40 O ATOM 1016 CB TYR A 63 -2.996 -1.890 2.479 1.00 41.40 C ATOM 1017 CG TYR A 63 -1.664 -2.087 3.165 1.00 61.50 C ATOM 1018 CD1 TYR A 63 -1.136 -1.105 3.994 1.00 43.40 C ATOM 1019 CD2 TYR A 63 -0.934 -3.256 2.987 1.00 20.00 C ATOM 1020 CE1 TYR A 63 0.082 -1.281 4.624 1.00 54.30 C ATOM 1021 CE2 TYR A 63 0.283 -3.440 3.614 1.00 51.10 C ATOM 1022 CZ TYR A 63 0.786 -2.450 4.430 1.00 51.00 C ATOM 1023 OH TYR A 63 1.999 -2.630 5.056 1.00 11.20 O ATOM 0 H TYR A 63 -4.235 -3.453 3.921 1.00 3.21 H new ATOM 0 HA TYR A 63 -3.693 -0.715 4.139 1.00 3.24 H new ATOM 0 HB2 TYR A 63 -3.298 -2.828 2.014 1.00 41.40 H new ATOM 0 HB3 TYR A 63 -2.878 -1.160 1.678 1.00 41.40 H new ATOM 0 HD1 TYR A 63 -1.686 -0.189 4.149 1.00 43.40 H new ATOM 0 HD2 TYR A 63 -1.325 -4.034 2.348 1.00 20.00 H new ATOM 0 HE1 TYR A 63 0.479 -0.507 5.264 1.00 54.30 H new ATOM 0 HE2 TYR A 63 0.837 -4.355 3.465 1.00 51.10 H new ATOM 0 HH TYR A 63 2.364 -3.507 4.815 1.00 11.20 H new ATOM 1033 N LEU A 64 -6.144 -1.486 2.101 1.00 4.11 N ATOM 1034 CA LEU A 64 -7.241 -0.930 1.318 1.00 45.10 C ATOM 1035 C LEU A 64 -8.184 -0.117 2.198 1.00 55.20 C ATOM 1036 O LEU A 64 -8.711 0.913 1.776 1.00 51.30 O ATOM 1037 CB LEU A 64 -8.015 -2.050 0.620 1.00 2.42 C ATOM 1038 CG LEU A 64 -7.378 -2.573 -0.669 1.00 51.20 C ATOM 1039 CD1 LEU A 64 -7.823 -4.001 -0.943 1.00 35.40 C ATOM 1040 CD2 LEU A 64 -7.729 -1.669 -1.841 1.00 40.40 C ATOM 0 H LEU A 64 -6.172 -2.500 2.206 1.00 4.11 H new ATOM 0 HA LEU A 64 -6.815 -0.266 0.565 1.00 45.10 H new ATOM 0 HB2 LEU A 64 -8.126 -2.882 1.316 1.00 2.42 H new ATOM 0 HB3 LEU A 64 -9.018 -1.690 0.391 1.00 2.42 H new ATOM 0 HG LEU A 64 -6.295 -2.570 -0.544 1.00 51.20 H new ATOM 0 HD11 LEU A 64 -7.360 -4.356 -1.864 1.00 35.40 H new ATOM 0 HD12 LEU A 64 -7.521 -4.642 -0.114 1.00 35.40 H new ATOM 0 HD13 LEU A 64 -8.908 -4.030 -1.048 1.00 35.40 H new ATOM 0 HD21 LEU A 64 -7.268 -2.056 -2.750 1.00 40.40 H new ATOM 0 HD22 LEU A 64 -8.811 -1.641 -1.967 1.00 40.40 H new ATOM 0 HD23 LEU A 64 -7.360 -0.662 -1.647 1.00 40.40 H new ATOM 1052 N ASP A 65 -8.396 -0.587 3.423 1.00 73.40 N ATOM 1053 CA ASP A 65 -9.279 0.096 4.363 1.00 54.10 C ATOM 1054 C ASP A 65 -8.713 1.458 4.754 1.00 40.40 C ATOM 1055 O ASP A 65 -9.461 2.400 5.012 1.00 63.40 O ATOM 1056 CB ASP A 65 -9.488 -0.764 5.612 1.00 41.10 C ATOM 1057 CG ASP A 65 -10.950 -0.934 5.957 1.00 23.40 C ATOM 1058 OD1 ASP A 65 -11.640 -1.710 5.260 1.00 14.10 O ATOM 1059 OD2 ASP A 65 -11.410 -0.291 6.923 1.00 52.30 O ATOM 0 H ASP A 65 -7.969 -1.438 3.788 1.00 73.40 H new ATOM 0 HA ASP A 65 -10.240 0.253 3.873 1.00 54.10 H new ATOM 0 HB2 ASP A 65 -9.038 -1.744 5.454 1.00 41.10 H new ATOM 0 HB3 ASP A 65 -8.969 -0.308 6.455 1.00 41.10 H new ATOM 1064 N ARG A 66 -7.388 1.553 4.799 1.00 55.10 N ATOM 1065 CA ARG A 66 -6.723 2.800 5.162 1.00 43.20 C ATOM 1066 C ARG A 66 -6.865 3.839 4.053 1.00 3.33 C ATOM 1067 O ARG A 66 -7.216 4.989 4.310 1.00 21.20 O ATOM 1068 CB ARG A 66 -5.243 2.547 5.453 1.00 24.20 C ATOM 1069 CG ARG A 66 -4.666 3.467 6.516 1.00 24.40 C ATOM 1070 CD ARG A 66 -5.082 3.037 7.915 1.00 25.20 C ATOM 1071 NE ARG A 66 -5.895 4.053 8.580 1.00 74.10 N ATOM 1072 CZ ARG A 66 -6.108 4.087 9.894 1.00 43.00 C ATOM 1073 NH1 ARG A 66 -5.573 3.165 10.685 1.00 75.20 N ATOM 1074 NH2 ARG A 66 -6.859 5.047 10.418 1.00 74.30 N ATOM 0 H ARG A 66 -6.754 0.782 4.589 1.00 55.10 H new ATOM 0 HA ARG A 66 -7.202 3.188 6.061 1.00 43.20 H new ATOM 0 HB2 ARG A 66 -5.116 1.512 5.772 1.00 24.20 H new ATOM 0 HB3 ARG A 66 -4.674 2.669 4.531 1.00 24.20 H new ATOM 0 HG2 ARG A 66 -3.578 3.470 6.444 1.00 24.40 H new ATOM 0 HG3 ARG A 66 -5.000 4.488 6.334 1.00 24.40 H new ATOM 0 HD2 ARG A 66 -5.644 2.105 7.856 1.00 25.20 H new ATOM 0 HD3 ARG A 66 -4.193 2.836 8.512 1.00 25.20 H new ATOM 0 HE ARG A 66 -6.324 4.778 8.005 1.00 74.10 H new ATOM 0 HH11 ARG A 66 -4.995 2.425 10.287 1.00 75.20 H new ATOM 0 HH12 ARG A 66 -5.740 3.197 11.691 1.00 75.20 H new ATOM 0 HH21 ARG A 66 -7.272 5.758 9.814 1.00 74.30 H new ATOM 0 HH22 ARG A 66 -7.023 5.074 11.424 1.00 74.30 H new ATOM 1088 N ALA A 67 -6.588 3.424 2.821 1.00 53.10 N ATOM 1089 CA ALA A 67 -6.682 4.319 1.674 1.00 30.50 C ATOM 1090 C ALA A 67 -8.096 4.869 1.518 1.00 71.40 C ATOM 1091 O ALA A 67 -8.289 5.977 1.017 1.00 22.20 O ATOM 1092 CB ALA A 67 -6.253 3.597 0.407 1.00 1.41 C ATOM 0 H ALA A 67 -6.297 2.474 2.592 1.00 53.10 H new ATOM 0 HA ALA A 67 -6.011 5.161 1.846 1.00 30.50 H new ATOM 0 HB1 ALA A 67 -6.328 4.276 -0.442 1.00 1.41 H new ATOM 0 HB2 ALA A 67 -5.222 3.260 0.512 1.00 1.41 H new ATOM 0 HB3 ALA A 67 -6.901 2.737 0.241 1.00 1.41 H new ATOM 1098 N GLU A 68 -9.083 4.089 1.949 1.00 70.30 N ATOM 1099 CA GLU A 68 -10.470 4.501 1.855 1.00 14.30 C ATOM 1100 C GLU A 68 -10.760 5.678 2.781 1.00 21.40 C ATOM 1101 O GLU A 68 -11.500 6.597 2.422 1.00 61.40 O ATOM 1102 CB GLU A 68 -11.400 3.329 2.199 1.00 72.10 C ATOM 1103 CG GLU A 68 -11.730 2.445 1.008 1.00 50.40 C ATOM 1104 CD GLU A 68 -13.010 2.856 0.317 1.00 5.23 C ATOM 1105 OE1 GLU A 68 -14.090 2.385 0.741 1.00 51.40 O ATOM 1106 OE2 GLU A 68 -12.940 3.648 -0.646 1.00 1.35 O ATOM 0 H GLU A 68 -8.943 3.169 2.366 1.00 70.30 H new ATOM 0 HA GLU A 68 -10.654 4.817 0.828 1.00 14.30 H new ATOM 0 HB2 GLU A 68 -10.933 2.721 2.974 1.00 72.10 H new ATOM 0 HB3 GLU A 68 -12.327 3.722 2.617 1.00 72.10 H new ATOM 0 HG2 GLU A 68 -10.908 2.482 0.294 1.00 50.40 H new ATOM 0 HG3 GLU A 68 -11.817 1.411 1.341 1.00 50.40 H new ATOM 1113 N LYS A 69 -10.180 5.643 3.974 1.00 12.10 N ATOM 1114 CA LYS A 69 -10.370 6.707 4.952 1.00 35.30 C ATOM 1115 C LYS A 69 -9.661 7.983 4.520 1.00 14.30 C ATOM 1116 O LYS A 69 -10.170 9.086 4.696 1.00 14.30 O ATOM 1117 CB LYS A 69 -9.868 6.265 6.325 1.00 73.20 C ATOM 1118 CG LYS A 69 -10.630 6.885 7.484 1.00 31.40 C ATOM 1119 CD LYS A 69 -11.890 6.101 7.802 1.00 60.40 C ATOM 1120 CE LYS A 69 -13.100 7.019 7.946 1.00 63.40 C ATOM 1121 NZ LYS A 69 -13.050 7.806 9.209 1.00 13.00 N ATOM 0 H LYS A 69 -9.572 4.887 4.288 1.00 12.10 H new ATOM 0 HA LYS A 69 -11.438 6.916 5.016 1.00 35.30 H new ATOM 0 HB2 LYS A 69 -9.938 5.180 6.395 1.00 73.20 H new ATOM 0 HB3 LYS A 69 -8.813 6.523 6.416 1.00 73.20 H new ATOM 0 HG2 LYS A 69 -9.989 6.920 8.365 1.00 31.40 H new ATOM 0 HG3 LYS A 69 -10.892 7.914 7.240 1.00 31.40 H new ATOM 0 HD2 LYS A 69 -12.076 5.374 7.012 1.00 60.40 H new ATOM 0 HD3 LYS A 69 -11.747 5.539 8.725 1.00 60.40 H new ATOM 0 HE2 LYS A 69 -13.143 7.699 7.095 1.00 63.40 H new ATOM 0 HE3 LYS A 69 -14.013 6.423 7.925 1.00 63.40 H new ATOM 0 HZ1 LYS A 69 -13.889 8.418 9.270 1.00 13.00 H new ATOM 0 HZ2 LYS A 69 -13.034 7.157 10.022 1.00 13.00 H new ATOM 0 HZ3 LYS A 69 -12.192 8.394 9.218 1.00 13.00 H new ATOM 1135 N LEU A 70 -8.468 7.825 3.954 1.00 33.00 N ATOM 1136 CA LEU A 70 -7.681 8.965 3.498 1.00 31.10 C ATOM 1137 C LEU A 70 -8.410 9.727 2.397 1.00 52.20 C ATOM 1138 O LEU A 70 -8.393 10.957 2.365 1.00 41.50 O ATOM 1139 CB LEU A 70 -6.315 8.497 2.992 1.00 11.30 C ATOM 1140 CG LEU A 70 -5.450 7.781 4.030 1.00 24.10 C ATOM 1141 CD1 LEU A 70 -4.122 7.360 3.419 1.00 71.40 C ATOM 1142 CD2 LEU A 70 -5.223 8.673 5.241 1.00 32.10 C ATOM 0 H LEU A 70 -8.026 6.919 3.800 1.00 33.00 H new ATOM 0 HA LEU A 70 -7.538 9.637 4.344 1.00 31.10 H new ATOM 0 HB2 LEU A 70 -6.468 7.828 2.145 1.00 11.30 H new ATOM 0 HB3 LEU A 70 -5.767 9.362 2.619 1.00 11.30 H new ATOM 0 HG LEU A 70 -5.976 6.884 4.358 1.00 24.10 H new ATOM 0 HD11 LEU A 70 -3.520 6.852 4.172 1.00 71.40 H new ATOM 0 HD12 LEU A 70 -4.304 6.684 2.584 1.00 71.40 H new ATOM 0 HD13 LEU A 70 -3.590 8.242 3.063 1.00 71.40 H new ATOM 0 HD21 LEU A 70 -4.606 8.147 5.969 1.00 32.10 H new ATOM 0 HD22 LEU A 70 -4.718 9.587 4.930 1.00 32.10 H new ATOM 0 HD23 LEU A 70 -6.183 8.924 5.693 1.00 32.10 H new ATOM 1154 N LYS A 71 -9.048 8.989 1.493 1.00 34.00 N ATOM 1155 CA LYS A 71 -9.780 9.598 0.389 1.00 41.40 C ATOM 1156 C LYS A 71 -11.020 10.328 0.893 1.00 71.10 C ATOM 1157 O LYS A 71 -11.270 11.475 0.521 1.00 3.30 O ATOM 1158 CB LYS A 71 -10.180 8.531 -0.633 1.00 34.50 C ATOM 1159 CG LYS A 71 -10.070 9.002 -2.075 1.00 72.20 C ATOM 1160 CD LYS A 71 -11.390 8.857 -2.812 1.00 12.30 C ATOM 1161 CE LYS A 71 -11.180 8.462 -4.264 1.00 11.30 C ATOM 1162 NZ LYS A 71 -12.400 8.696 -5.086 1.00 24.40 N ATOM 0 H LYS A 71 -9.072 7.969 1.504 1.00 34.00 H new ATOM 0 HA LYS A 71 -9.125 10.325 -0.091 1.00 41.40 H new ATOM 0 HB2 LYS A 71 -9.548 7.653 -0.496 1.00 34.50 H new ATOM 0 HB3 LYS A 71 -11.206 8.219 -0.438 1.00 34.50 H new ATOM 0 HG2 LYS A 71 -9.754 10.045 -2.095 1.00 72.20 H new ATOM 0 HG3 LYS A 71 -9.300 8.426 -2.589 1.00 72.20 H new ATOM 0 HD2 LYS A 71 -12.004 8.106 -2.315 1.00 12.30 H new ATOM 0 HD3 LYS A 71 -11.938 9.798 -2.766 1.00 12.30 H new ATOM 0 HE2 LYS A 71 -10.348 9.032 -4.678 1.00 11.30 H new ATOM 0 HE3 LYS A 71 -10.903 7.409 -4.317 1.00 11.30 H new ATOM 0 HZ1 LYS A 71 -12.215 8.414 -6.070 1.00 24.40 H new ATOM 0 HZ2 LYS A 71 -13.188 8.133 -4.706 1.00 24.40 H new ATOM 0 HZ3 LYS A 71 -12.650 9.705 -5.056 1.00 24.40 H new ATOM 1176 N ASP A 72 -11.790 9.657 1.739 1.00 21.10 N ATOM 1177 CA ASP A 72 -13.010 10.242 2.291 1.00 41.50 C ATOM 1178 C ASP A 72 -12.680 11.419 3.205 1.00 40.00 C ATOM 1179 O ASP A 72 -13.480 12.349 3.342 1.00 30.40 O ATOM 1180 CB ASP A 72 -13.800 9.186 3.061 1.00 2.11 C ATOM 1181 CG ASP A 72 -15.300 9.346 2.884 1.00 12.50 C ATOM 1182 OD1 ASP A 72 -15.830 8.868 1.859 1.00 13.20 O ATOM 1183 OD2 ASP A 72 -15.940 9.947 3.771 1.00 24.40 O ATOM 0 H ASP A 72 -11.594 8.709 2.059 1.00 21.10 H new ATOM 0 HA ASP A 72 -13.619 10.608 1.464 1.00 41.50 H new ATOM 0 HB2 ASP A 72 -13.500 8.194 2.724 1.00 2.11 H new ATOM 0 HB3 ASP A 72 -13.552 9.251 4.121 1.00 2.11 H new ATOM 1188 N TYR A 73 -11.510 11.372 3.831 1.00 24.50 N ATOM 1189 CA TYR A 73 -11.080 12.434 4.735 1.00 33.10 C ATOM 1190 C TYR A 73 -10.810 13.725 3.972 1.00 73.20 C ATOM 1191 O TYR A 73 -11.300 14.793 4.339 1.00 51.10 O ATOM 1192 CB TYR A 73 -9.838 12.005 5.504 1.00 15.30 C ATOM 1193 CG TYR A 73 -9.380 13.018 6.529 1.00 52.40 C ATOM 1194 CD1 TYR A 73 -8.608 14.111 6.157 1.00 62.40 C ATOM 1195 CD2 TYR A 73 -9.721 12.882 7.869 1.00 31.10 C ATOM 1196 CE1 TYR A 73 -8.188 15.039 7.090 1.00 24.10 C ATOM 1197 CE2 TYR A 73 -9.304 13.807 8.808 1.00 51.30 C ATOM 1198 CZ TYR A 73 -8.538 14.882 8.413 1.00 65.30 C ATOM 1199 OH TYR A 73 -8.122 15.804 9.346 1.00 54.10 O ATOM 0 H TYR A 73 -10.841 10.609 3.729 1.00 24.50 H new ATOM 0 HA TYR A 73 -11.886 12.621 5.445 1.00 33.10 H new ATOM 0 HB2 TYR A 73 -10.041 11.059 6.006 1.00 15.30 H new ATOM 0 HB3 TYR A 73 -9.028 11.824 4.797 1.00 15.30 H new ATOM 0 HD1 TYR A 73 -8.331 14.237 5.121 1.00 62.40 H new ATOM 0 HD2 TYR A 73 -10.321 12.040 8.182 1.00 31.10 H new ATOM 0 HE1 TYR A 73 -7.588 15.883 6.784 1.00 24.10 H new ATOM 0 HE2 TYR A 73 -9.577 13.688 9.846 1.00 51.30 H new ATOM 0 HH TYR A 73 -8.455 15.547 10.231 1.00 54.10 H new ATOM 1209 N LEU A 74 -10.020 13.621 2.909 1.00 62.50 N ATOM 1210 CA LEU A 74 -9.676 14.782 2.096 1.00 24.10 C ATOM 1211 C LEU A 74 -10.850 15.220 1.239 1.00 51.00 C ATOM 1212 O LEU A 74 -11.030 16.406 0.960 1.00 62.30 O ATOM 1213 CB LEU A 74 -8.472 14.469 1.203 1.00 64.30 C ATOM 1214 CG LEU A 74 -8.663 13.288 0.250 1.00 4.14 C ATOM 1215 CD1 LEU A 74 -9.294 13.751 -1.054 1.00 52.30 C ATOM 1216 CD2 LEU A 74 -7.334 12.598 -0.014 1.00 4.35 C ATOM 0 H LEU A 74 -9.606 12.745 2.590 1.00 62.50 H new ATOM 0 HA LEU A 74 -9.421 15.598 2.772 1.00 24.10 H new ATOM 0 HB2 LEU A 74 -8.234 15.356 0.615 1.00 64.30 H new ATOM 0 HB3 LEU A 74 -7.610 14.268 1.839 1.00 64.30 H new ATOM 0 HG LEU A 74 -9.336 12.571 0.720 1.00 4.14 H new ATOM 0 HD11 LEU A 74 -9.422 12.897 -1.719 1.00 52.30 H new ATOM 0 HD12 LEU A 74 -10.266 14.200 -0.849 1.00 52.30 H new ATOM 0 HD13 LEU A 74 -8.647 14.488 -1.530 1.00 52.30 H new ATOM 0 HD21 LEU A 74 -7.488 11.760 -0.694 1.00 4.35 H new ATOM 0 HD22 LEU A 74 -6.639 13.307 -0.463 1.00 4.35 H new ATOM 0 HD23 LEU A 74 -6.921 12.232 0.926 1.00 4.35 H new ATOM 1228 N ARG A 75 -11.670 14.255 0.823 1.00 33.40 N ATOM 1229 CA ARG A 75 -12.840 14.544 -0.002 1.00 61.10 C ATOM 1230 C ARG A 75 -13.910 15.268 0.805 1.00 65.50 C ATOM 1231 O ARG A 75 -14.650 16.090 0.271 1.00 32.30 O ATOM 1232 CB ARG A 75 -13.410 13.252 -0.588 1.00 12.10 C ATOM 1233 CG ARG A 75 -12.780 12.858 -1.918 1.00 12.50 C ATOM 1234 CD ARG A 75 -13.830 12.740 -3.020 1.00 51.00 C ATOM 1235 NE ARG A 75 -13.640 13.750 -4.060 1.00 53.40 N ATOM 1236 CZ ARG A 75 -14.050 15.012 -3.950 1.00 44.50 C ATOM 1237 NH1 ARG A 75 -14.660 15.425 -2.850 1.00 42.00 N ATOM 1238 NH2 ARG A 75 -13.840 15.865 -4.944 1.00 21.40 N ATOM 0 H ARG A 75 -11.545 13.267 1.044 1.00 33.40 H new ATOM 0 HA ARG A 75 -12.526 15.195 -0.818 1.00 61.10 H new ATOM 0 HB2 ARG A 75 -13.265 12.443 0.128 1.00 12.10 H new ATOM 0 HB3 ARG A 75 -14.485 13.368 -0.724 1.00 12.10 H new ATOM 0 HG2 ARG A 75 -12.034 13.600 -2.203 1.00 12.50 H new ATOM 0 HG3 ARG A 75 -12.258 11.907 -1.807 1.00 12.50 H new ATOM 0 HD2 ARG A 75 -13.780 11.746 -3.465 1.00 51.00 H new ATOM 0 HD3 ARG A 75 -14.825 12.846 -2.587 1.00 51.00 H new ATOM 0 HE ARG A 75 -13.166 13.472 -4.919 1.00 53.40 H new ATOM 0 HH11 ARG A 75 -14.818 14.775 -2.080 1.00 42.00 H new ATOM 0 HH12 ARG A 75 -14.971 16.393 -2.772 1.00 42.00 H new ATOM 0 HH21 ARG A 75 -13.365 15.554 -5.791 1.00 21.40 H new ATOM 0 HH22 ARG A 75 -14.154 16.832 -4.861 1.00 21.40 H new ATOM 1252 N SER A 76 -13.980 14.956 2.095 1.00 55.30 N ATOM 1253 CA SER A 76 -14.970 15.576 2.976 1.00 45.50 C ATOM 1254 C SER A 76 -14.660 17.056 3.177 1.00 25.30 C ATOM 1255 O SER A 76 -15.530 17.909 3.011 1.00 73.20 O ATOM 1256 CB SER A 76 -14.990 14.860 4.328 1.00 22.10 C ATOM 1257 OG SER A 76 -15.710 13.642 4.247 1.00 74.30 O ATOM 0 H SER A 76 -13.368 14.282 2.554 1.00 55.30 H new ATOM 0 HA SER A 76 -15.951 15.487 2.508 1.00 45.50 H new ATOM 0 HB2 SER A 76 -13.969 14.662 4.654 1.00 22.10 H new ATOM 0 HB3 SER A 76 -15.445 15.506 5.079 1.00 22.10 H new ATOM 0 HG SER A 76 -15.117 12.933 3.921 1.00 74.30 H new