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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.255 USER MOD Single : A 7 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 68:sc= 0.635 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 K(o=0,f=-0.95) 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 X(o=0,f=-0.065) USER MOD Single : A 34 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0.0041) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-2.8) 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=-0.064) 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 60 CYS SG : rot -140:sc= -0.747 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=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 97:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.469 -7.095 -6.026 1.00 73.10 N ATOM 60 CA THR A 5 8.127 -6.536 -5.914 1.00 31.30 C ATOM 61 C THR A 5 7.741 -6.335 -4.453 1.00 22.40 C ATOM 62 O THR A 5 7.009 -5.404 -4.116 1.00 53.20 O ATOM 63 CB THR A 5 7.112 -7.451 -6.601 1.00 13.10 C ATOM 64 OG1 THR A 5 7.576 -7.844 -7.881 1.00 53.20 O ATOM 65 CG2 THR A 5 5.754 -6.808 -6.784 1.00 51.40 C ATOM 0 HA THR A 5 8.123 -5.565 -6.408 1.00 31.30 H new ATOM 0 HB THR A 5 7.004 -8.310 -5.939 1.00 13.10 H new ATOM 0 HG1 THR A 5 8.549 -7.737 -7.923 1.00 53.20 H new ATOM 0 HG21 THR A 5 5.082 -7.511 -7.277 1.00 51.40 H new ATOM 0 HG22 THR A 5 5.345 -6.537 -5.810 1.00 51.40 H new ATOM 0 HG23 THR A 5 5.855 -5.912 -7.397 1.00 51.40 H new ATOM 73 N LEU A 6 8.236 -7.215 -3.589 1.00 33.20 N ATOM 74 CA LEU A 6 7.943 -7.134 -2.163 1.00 10.10 C ATOM 75 C LEU A 6 8.621 -5.921 -1.535 1.00 62.40 C ATOM 76 O LEU A 6 8.048 -5.251 -0.675 1.00 52.10 O ATOM 77 CB LEU A 6 8.400 -8.412 -1.455 1.00 1.50 C ATOM 78 CG LEU A 6 7.346 -9.517 -1.370 1.00 53.20 C ATOM 79 CD1 LEU A 6 8.002 -10.880 -1.457 1.00 13.20 C ATOM 80 CD2 LEU A 6 6.542 -9.389 -0.086 1.00 75.30 C ATOM 0 H LEU A 6 8.842 -7.992 -3.852 1.00 33.20 H new ATOM 0 HA LEU A 6 6.865 -7.026 -2.045 1.00 10.10 H new ATOM 0 HB2 LEU A 6 9.274 -8.804 -1.974 1.00 1.50 H new ATOM 0 HB3 LEU A 6 8.718 -8.156 -0.444 1.00 1.50 H new ATOM 0 HG LEU A 6 6.663 -9.410 -2.213 1.00 53.20 H new ATOM 0 HD11 LEU A 6 7.239 -11.656 -1.395 1.00 13.20 H new ATOM 0 HD12 LEU A 6 8.533 -10.968 -2.405 1.00 13.20 H new ATOM 0 HD13 LEU A 6 8.707 -10.998 -0.634 1.00 13.20 H new ATOM 0 HD21 LEU A 6 5.797 -10.183 -0.043 1.00 75.30 H new ATOM 0 HD22 LEU A 6 7.210 -9.471 0.771 1.00 75.30 H new ATOM 0 HD23 LEU A 6 6.042 -8.421 -0.065 1.00 75.30 H new ATOM 92 N GLN A 7 9.846 -5.642 -1.971 1.00 40.40 N ATOM 93 CA GLN A 7 10.604 -4.509 -1.451 1.00 41.50 C ATOM 94 C GLN A 7 9.990 -3.189 -1.907 1.00 40.30 C ATOM 95 O GLN A 7 9.916 -2.230 -1.139 1.00 25.30 O ATOM 96 CB GLN A 7 12.062 -4.593 -1.907 1.00 65.10 C ATOM 97 CG GLN A 7 13.056 -4.137 -0.852 1.00 22.30 C ATOM 98 CD GLN A 7 13.251 -5.162 0.247 1.00 12.50 C ATOM 99 OE1 GLN A 7 13.868 -6.206 0.036 1.00 11.10 O ATOM 100 NE2 GLN A 7 12.724 -4.869 1.430 1.00 63.50 N ATOM 0 H GLN A 7 10.335 -6.185 -2.683 1.00 40.40 H new ATOM 0 HA GLN A 7 10.569 -4.548 -0.362 1.00 41.50 H new ATOM 0 HB2 GLN A 7 12.288 -5.622 -2.187 1.00 65.10 H new ATOM 0 HB3 GLN A 7 12.190 -3.984 -2.802 1.00 65.10 H new ATOM 0 HG2 GLN A 7 14.015 -3.932 -1.327 1.00 22.30 H new ATOM 0 HG3 GLN A 7 12.711 -3.201 -0.413 1.00 22.30 H new ATOM 0 HE21 GLN A 7 12.220 -3.992 1.561 1.00 63.50 H new ATOM 0 HE22 GLN A 7 12.823 -5.521 2.208 1.00 63.50 H new ATOM 109 N LYS A 8 9.555 -3.147 -3.162 1.00 2.33 N ATOM 110 CA LYS A 8 8.949 -1.943 -3.721 1.00 23.30 C ATOM 111 C LYS A 8 7.619 -1.634 -3.039 1.00 2.14 C ATOM 112 O LYS A 8 7.224 -0.473 -2.925 1.00 13.10 O ATOM 113 CB LYS A 8 8.736 -2.107 -5.227 1.00 3.23 C ATOM 114 CG LYS A 8 9.940 -1.694 -6.060 1.00 40.40 C ATOM 115 CD LYS A 8 9.635 -0.475 -6.919 1.00 64.20 C ATOM 116 CE LYS A 8 10.117 0.806 -6.258 1.00 64.30 C ATOM 117 NZ LYS A 8 9.815 2.006 -7.087 1.00 72.20 N ATOM 0 H LYS A 8 9.611 -3.932 -3.811 1.00 2.33 H new ATOM 0 HA LYS A 8 9.629 -1.110 -3.545 1.00 23.30 H new ATOM 0 HB2 LYS A 8 8.497 -3.149 -5.441 1.00 3.23 H new ATOM 0 HB3 LYS A 8 7.874 -1.513 -5.530 1.00 3.23 H new ATOM 0 HG2 LYS A 8 10.781 -1.475 -5.402 1.00 40.40 H new ATOM 0 HG3 LYS A 8 10.243 -2.524 -6.699 1.00 40.40 H new ATOM 0 HD2 LYS A 8 10.113 -0.586 -7.892 1.00 64.20 H new ATOM 0 HD3 LYS A 8 8.561 -0.413 -7.096 1.00 64.20 H new ATOM 0 HE2 LYS A 8 9.644 0.911 -5.282 1.00 64.30 H new ATOM 0 HE3 LYS A 8 11.192 0.744 -6.087 1.00 64.30 H new ATOM 0 HZ1 LYS A 8 10.159 2.859 -6.602 1.00 72.20 H new ATOM 0 HZ2 LYS A 8 10.287 1.918 -8.010 1.00 72.20 H new ATOM 0 HZ3 LYS A 8 8.787 2.080 -7.229 1.00 72.20 H new ATOM 131 N ALA A 9 6.932 -2.679 -2.589 1.00 30.40 N ATOM 132 CA ALA A 9 5.647 -2.517 -1.920 1.00 32.10 C ATOM 133 C ALA A 9 5.822 -1.929 -0.524 1.00 2.32 C ATOM 134 O ALA A 9 5.062 -1.056 -0.108 1.00 0.35 O ATOM 135 CB ALA A 9 4.921 -3.852 -1.845 1.00 63.10 C ATOM 0 H ALA A 9 7.244 -3.646 -2.676 1.00 30.40 H new ATOM 0 HA ALA A 9 5.047 -1.820 -2.505 1.00 32.10 H new ATOM 0 HB1 ALA A 9 3.963 -3.717 -1.343 1.00 63.10 H new ATOM 0 HB2 ALA A 9 4.753 -4.232 -2.853 1.00 63.10 H new ATOM 0 HB3 ALA A 9 5.527 -4.565 -1.285 1.00 63.10 H new ATOM 141 N ILE A 10 6.829 -2.414 0.195 1.00 41.40 N ATOM 142 CA ILE A 10 7.103 -1.936 1.546 1.00 33.30 C ATOM 143 C ILE A 10 7.622 -0.503 1.528 1.00 53.00 C ATOM 144 O ILE A 10 7.401 0.261 2.468 1.00 71.20 O ATOM 145 CB ILE A 10 8.131 -2.835 2.263 1.00 35.20 C ATOM 146 CG1 ILE A 10 7.705 -4.302 2.181 1.00 53.30 C ATOM 147 CG2 ILE A 10 8.291 -2.406 3.714 1.00 12.40 C ATOM 148 CD1 ILE A 10 8.863 -5.273 2.255 1.00 63.20 C ATOM 0 H ILE A 10 7.468 -3.137 -0.135 1.00 41.40 H new ATOM 0 HA ILE A 10 6.159 -1.970 2.091 1.00 33.30 H new ATOM 0 HB ILE A 10 9.094 -2.727 1.764 1.00 35.20 H new ATOM 0 HG12 ILE A 10 7.010 -4.516 2.993 1.00 53.30 H new ATOM 0 HG13 ILE A 10 7.165 -4.463 1.248 1.00 53.30 H new ATOM 0 HG21 ILE A 10 9.020 -3.050 4.206 1.00 12.40 H new ATOM 0 HG22 ILE A 10 8.636 -1.373 3.752 1.00 12.40 H new ATOM 0 HG23 ILE A 10 7.332 -2.487 4.225 1.00 12.40 H new ATOM 0 HD11 ILE A 10 8.486 -6.294 2.191 1.00 63.20 H new ATOM 0 HD12 ILE A 10 9.548 -5.086 1.428 1.00 63.20 H new ATOM 0 HD13 ILE A 10 9.390 -5.139 3.200 1.00 63.20 H new ATOM 160 N ASP A 11 8.316 -0.142 0.452 1.00 21.20 N ATOM 161 CA ASP A 11 8.868 1.201 0.314 1.00 53.50 C ATOM 162 C ASP A 11 7.759 2.229 0.106 1.00 32.10 C ATOM 163 O ASP A 11 7.893 3.389 0.499 1.00 41.40 O ATOM 164 CB ASP A 11 9.851 1.251 -0.857 1.00 54.20 C ATOM 165 CG ASP A 11 10.988 2.225 -0.617 1.00 43.30 C ATOM 166 OD1 ASP A 11 11.929 1.867 0.122 1.00 64.10 O ATOM 167 OD2 ASP A 11 10.937 3.345 -1.167 1.00 5.33 O ATOM 0 H ASP A 11 8.509 -0.760 -0.336 1.00 21.20 H new ATOM 0 HA ASP A 11 9.396 1.446 1.236 1.00 53.50 H new ATOM 0 HB2 ASP A 11 10.260 0.255 -1.027 1.00 54.20 H new ATOM 0 HB3 ASP A 11 9.317 1.536 -1.764 1.00 54.20 H new ATOM 172 N LEU A 12 6.666 1.798 -0.515 1.00 70.30 N ATOM 173 CA LEU A 12 5.537 2.683 -0.776 1.00 21.30 C ATOM 174 C LEU A 12 4.727 2.927 0.495 1.00 1.23 C ATOM 175 O LEU A 12 4.133 3.990 0.669 1.00 42.30 O ATOM 176 CB LEU A 12 4.638 2.086 -1.862 1.00 24.30 C ATOM 177 CG LEU A 12 4.931 2.569 -3.283 1.00 14.30 C ATOM 178 CD1 LEU A 12 4.634 4.055 -3.414 1.00 30.50 C ATOM 179 CD2 LEU A 12 6.377 2.277 -3.657 1.00 65.10 C ATOM 0 H LEU A 12 6.538 0.842 -0.847 1.00 70.30 H new ATOM 0 HA LEU A 12 5.929 3.640 -1.121 1.00 21.30 H new ATOM 0 HB2 LEU A 12 4.735 1.001 -1.836 1.00 24.30 H new ATOM 0 HB3 LEU A 12 3.601 2.319 -1.622 1.00 24.30 H new ATOM 0 HG LEU A 12 4.282 2.028 -3.972 1.00 14.30 H new ATOM 0 HD11 LEU A 12 4.849 4.381 -4.432 1.00 30.50 H new ATOM 0 HD12 LEU A 12 3.583 4.237 -3.189 1.00 30.50 H new ATOM 0 HD13 LEU A 12 5.257 4.614 -2.716 1.00 30.50 H new ATOM 0 HD21 LEU A 12 6.568 2.627 -4.671 1.00 65.10 H new ATOM 0 HD22 LEU A 12 7.043 2.791 -2.964 1.00 65.10 H new ATOM 0 HD23 LEU A 12 6.557 1.203 -3.604 1.00 65.10 H new ATOM 191 N VAL A 13 4.708 1.934 1.379 1.00 71.20 N ATOM 192 CA VAL A 13 3.969 2.042 2.632 1.00 42.30 C ATOM 193 C VAL A 13 4.685 2.962 3.617 1.00 25.20 C ATOM 194 O VAL A 13 4.049 3.616 4.443 1.00 53.20 O ATOM 195 CB VAL A 13 3.770 0.662 3.287 1.00 31.10 C ATOM 196 CG1 VAL A 13 2.866 0.772 4.506 1.00 51.40 C ATOM 197 CG2 VAL A 13 3.201 -0.330 2.283 1.00 74.10 C ATOM 0 H VAL A 13 5.195 1.047 1.251 1.00 71.20 H new ATOM 0 HA VAL A 13 2.994 2.465 2.388 1.00 42.30 H new ATOM 0 HB VAL A 13 4.742 0.295 3.616 1.00 31.10 H new ATOM 0 HG11 VAL A 13 2.738 -0.213 4.954 1.00 51.40 H new ATOM 0 HG12 VAL A 13 3.317 1.446 5.234 1.00 51.40 H new ATOM 0 HG13 VAL A 13 1.894 1.162 4.204 1.00 51.40 H new ATOM 0 HG21 VAL A 13 3.068 -1.299 2.764 1.00 74.10 H new ATOM 0 HG22 VAL A 13 2.238 0.031 1.921 1.00 74.10 H new ATOM 0 HG23 VAL A 13 3.889 -0.434 1.444 1.00 74.10 H new ATOM 207 N THR A 14 6.010 3.005 3.525 1.00 41.10 N ATOM 208 CA THR A 14 6.809 3.844 4.410 1.00 60.10 C ATOM 209 C THR A 14 6.641 5.320 4.063 1.00 52.40 C ATOM 210 O THR A 14 6.601 6.175 4.948 1.00 3.52 O ATOM 211 CB THR A 14 8.286 3.454 4.320 1.00 20.00 C ATOM 212 OG1 THR A 14 8.429 2.045 4.273 1.00 12.40 O ATOM 213 CG2 THR A 14 9.111 3.960 5.484 1.00 51.40 C ATOM 0 H THR A 14 6.552 2.469 2.847 1.00 41.10 H new ATOM 0 HA THR A 14 6.458 3.687 5.430 1.00 60.10 H new ATOM 0 HB THR A 14 8.653 3.920 3.406 1.00 20.00 H new ATOM 0 HG1 THR A 14 8.076 1.709 3.423 1.00 12.40 H new ATOM 0 HG21 THR A 14 10.148 3.649 5.358 1.00 51.40 H new ATOM 0 HG22 THR A 14 9.061 5.048 5.520 1.00 51.40 H new ATOM 0 HG23 THR A 14 8.719 3.548 6.414 1.00 51.40 H new ATOM 221 N LYS A 15 6.544 5.613 2.771 1.00 15.30 N ATOM 222 CA LYS A 15 6.381 6.986 2.308 1.00 64.10 C ATOM 223 C LYS A 15 4.972 7.497 2.599 1.00 20.20 C ATOM 224 O LYS A 15 4.766 8.693 2.808 1.00 12.10 O ATOM 225 CB LYS A 15 6.671 7.078 0.808 1.00 21.40 C ATOM 226 CG LYS A 15 8.044 7.647 0.488 1.00 62.50 C ATOM 227 CD LYS A 15 8.175 7.989 -0.987 1.00 24.40 C ATOM 228 CE LYS A 15 8.920 9.298 -1.192 1.00 32.30 C ATOM 229 NZ LYS A 15 9.660 9.319 -2.484 1.00 44.40 N ATOM 0 H LYS A 15 6.575 4.918 2.025 1.00 15.30 H new ATOM 0 HA LYS A 15 7.092 7.611 2.848 1.00 64.10 H new ATOM 0 HB2 LYS A 15 6.587 6.084 0.368 1.00 21.40 H new ATOM 0 HB3 LYS A 15 5.910 7.700 0.337 1.00 21.40 H new ATOM 0 HG2 LYS A 15 8.217 8.541 1.087 1.00 62.50 H new ATOM 0 HG3 LYS A 15 8.812 6.925 0.765 1.00 62.50 H new ATOM 0 HD2 LYS A 15 8.701 7.185 -1.502 1.00 24.40 H new ATOM 0 HD3 LYS A 15 7.184 8.060 -1.435 1.00 24.40 H new ATOM 0 HE2 LYS A 15 8.212 10.127 -1.165 1.00 32.30 H new ATOM 0 HE3 LYS A 15 9.620 9.450 -0.370 1.00 32.30 H new ATOM 0 HZ1 LYS A 15 10.155 10.228 -2.586 1.00 44.40 H new ATOM 0 HZ2 LYS A 15 10.353 8.544 -2.500 1.00 44.40 H new ATOM 0 HZ3 LYS A 15 8.990 9.200 -3.270 1.00 44.40 H new ATOM 243 N ALA A 16 4.006 6.584 2.608 1.00 72.10 N ATOM 244 CA ALA A 16 2.618 6.945 2.871 1.00 52.40 C ATOM 245 C ALA A 16 2.401 7.265 4.346 1.00 1.24 C ATOM 246 O ALA A 16 1.787 8.276 4.688 1.00 5.34 O ATOM 247 CB ALA A 16 1.690 5.823 2.429 1.00 23.10 C ATOM 0 H ALA A 16 4.159 5.590 2.436 1.00 72.10 H new ATOM 0 HA ALA A 16 2.387 7.842 2.296 1.00 52.40 H new ATOM 0 HB1 ALA A 16 0.657 6.105 2.631 1.00 23.10 H new ATOM 0 HB2 ALA A 16 1.816 5.646 1.361 1.00 23.10 H new ATOM 0 HB3 ALA A 16 1.932 4.913 2.978 1.00 23.10 H new ATOM 253 N THR A 17 2.905 6.397 5.216 1.00 70.10 N ATOM 254 CA THR A 17 2.764 6.586 6.656 1.00 31.30 C ATOM 255 C THR A 17 3.383 7.909 7.097 1.00 70.20 C ATOM 256 O THR A 17 2.778 8.666 7.855 1.00 33.40 O ATOM 257 CB THR A 17 3.418 5.427 7.411 1.00 75.10 C ATOM 258 OG1 THR A 17 3.348 5.639 8.810 1.00 32.10 O ATOM 259 CG2 THR A 17 4.872 5.220 7.049 1.00 10.30 C ATOM 0 H THR A 17 3.415 5.555 4.950 1.00 70.10 H new ATOM 0 HA THR A 17 1.700 6.609 6.890 1.00 31.30 H new ATOM 0 HB THR A 17 2.859 4.538 7.117 1.00 75.10 H new ATOM 0 HG1 THR A 17 3.770 4.887 9.276 1.00 32.10 H new ATOM 0 HG21 THR A 17 5.274 4.383 7.620 1.00 10.30 H new ATOM 0 HG22 THR A 17 4.955 5.005 5.984 1.00 10.30 H new ATOM 0 HG23 THR A 17 5.437 6.123 7.282 1.00 10.30 H new ATOM 267 N GLU A 18 4.592 8.180 6.618 1.00 53.10 N ATOM 268 CA GLU A 18 5.294 9.411 6.965 1.00 15.30 C ATOM 269 C GLU A 18 4.575 10.629 6.391 1.00 61.50 C ATOM 270 O GLU A 18 4.516 11.683 7.024 1.00 3.02 O ATOM 271 CB GLU A 18 6.733 9.366 6.450 1.00 60.20 C ATOM 272 CG GLU A 18 6.834 9.255 4.937 1.00 65.30 C ATOM 273 CD GLU A 18 8.263 9.098 4.458 1.00 50.10 C ATOM 274 OE1 GLU A 18 8.988 8.250 5.021 1.00 65.20 O ATOM 275 OE2 GLU A 18 8.659 9.823 3.521 1.00 4.14 O ATOM 0 H GLU A 18 5.107 7.564 5.988 1.00 53.10 H new ATOM 0 HA GLU A 18 5.307 9.497 8.052 1.00 15.30 H new ATOM 0 HB2 GLU A 18 7.255 10.266 6.776 1.00 60.20 H new ATOM 0 HB3 GLU A 18 7.246 8.518 6.903 1.00 60.20 H new ATOM 0 HG2 GLU A 18 6.246 8.402 4.599 1.00 65.30 H new ATOM 0 HG3 GLU A 18 6.398 10.144 4.481 1.00 65.30 H new ATOM 282 N GLU A 19 4.032 10.477 5.187 1.00 23.40 N ATOM 283 CA GLU A 19 3.319 11.565 4.529 1.00 53.40 C ATOM 284 C GLU A 19 2.077 11.961 5.320 1.00 74.50 C ATOM 285 O GLU A 19 1.836 13.144 5.566 1.00 25.30 O ATOM 286 CB GLU A 19 2.923 11.156 3.108 1.00 41.30 C ATOM 287 CG GLU A 19 4.017 11.390 2.080 1.00 1.12 C ATOM 288 CD GLU A 19 4.304 12.862 1.860 1.00 3.22 C ATOM 289 OE1 GLU A 19 4.930 13.484 2.746 1.00 32.50 O ATOM 290 OE2 GLU A 19 3.905 13.394 0.803 1.00 55.20 O ATOM 0 H GLU A 19 4.072 9.612 4.648 1.00 23.40 H new ATOM 0 HA GLU A 19 3.986 12.426 4.481 1.00 53.40 H new ATOM 0 HB2 GLU A 19 2.653 10.100 3.105 1.00 41.30 H new ATOM 0 HB3 GLU A 19 2.034 11.713 2.813 1.00 41.30 H new ATOM 0 HG2 GLU A 19 4.929 10.890 2.406 1.00 1.12 H new ATOM 0 HG3 GLU A 19 3.725 10.935 1.134 1.00 1.12 H new ATOM 297 N ASP A 20 1.291 10.965 5.717 1.00 14.50 N ATOM 298 CA ASP A 20 0.072 11.208 6.481 1.00 71.30 C ATOM 299 C ASP A 20 0.361 12.033 7.732 1.00 22.10 C ATOM 300 O ASP A 20 -0.501 12.768 8.217 1.00 73.40 O ATOM 301 CB ASP A 20 -0.583 9.879 6.869 1.00 24.40 C ATOM 302 CG ASP A 20 -2.021 9.783 6.400 1.00 44.20 C ATOM 303 OD1 ASP A 20 -2.237 9.482 5.207 1.00 11.10 O ATOM 304 OD2 ASP A 20 -2.932 10.011 7.224 1.00 33.10 O ATOM 0 H ASP A 20 1.477 9.981 5.522 1.00 14.50 H new ATOM 0 HA ASP A 20 -0.613 11.775 5.851 1.00 71.30 H new ATOM 0 HB2 ASP A 20 -0.009 9.056 6.442 1.00 24.40 H new ATOM 0 HB3 ASP A 20 -0.549 9.763 7.952 1.00 24.40 H new ATOM 309 N LYS A 21 1.579 11.909 8.251 1.00 73.50 N ATOM 310 CA LYS A 21 1.979 12.644 9.445 1.00 23.30 C ATOM 311 C LYS A 21 2.187 14.124 9.132 1.00 1.30 C ATOM 312 O LYS A 21 1.995 14.983 9.992 1.00 63.10 O ATOM 313 CB LYS A 21 3.260 12.046 10.032 1.00 13.30 C ATOM 314 CG LYS A 21 3.091 11.520 11.449 1.00 64.10 C ATOM 315 CD LYS A 21 2.844 10.020 11.462 1.00 42.20 C ATOM 316 CE LYS A 21 3.565 9.345 12.618 1.00 51.10 C ATOM 317 NZ LYS A 21 2.744 8.264 13.230 1.00 51.20 N ATOM 0 H LYS A 21 2.305 11.307 7.863 1.00 73.50 H new ATOM 0 HA LYS A 21 1.178 12.559 10.179 1.00 23.30 H new ATOM 0 HB2 LYS A 21 3.600 11.234 9.390 1.00 13.30 H new ATOM 0 HB3 LYS A 21 4.042 12.805 10.026 1.00 13.30 H new ATOM 0 HG2 LYS A 21 3.984 11.748 12.031 1.00 64.10 H new ATOM 0 HG3 LYS A 21 2.257 12.031 11.931 1.00 64.10 H new ATOM 0 HD2 LYS A 21 1.774 9.827 11.537 1.00 42.20 H new ATOM 0 HD3 LYS A 21 3.180 9.587 10.520 1.00 42.20 H new ATOM 0 HE2 LYS A 21 4.508 8.928 12.264 1.00 51.10 H new ATOM 0 HE3 LYS A 21 3.810 10.088 13.377 1.00 51.10 H new ATOM 0 HZ1 LYS A 21 3.271 7.829 14.014 1.00 51.20 H new ATOM 0 HZ2 LYS A 21 1.855 8.665 13.591 1.00 51.20 H new ATOM 0 HZ3 LYS A 21 2.531 7.541 12.513 1.00 51.20 H new ATOM 331 N ALA A 22 2.582 14.414 7.896 1.00 70.30 N ATOM 332 CA ALA A 22 2.816 15.789 7.473 1.00 21.20 C ATOM 333 C ALA A 22 1.606 16.355 6.734 1.00 24.20 C ATOM 334 O ALA A 22 1.742 17.238 5.888 1.00 11.50 O ATOM 335 CB ALA A 22 4.055 15.866 6.594 1.00 21.40 C ATOM 0 H ALA A 22 2.746 13.715 7.171 1.00 70.30 H new ATOM 0 HA ALA A 22 2.976 16.393 8.366 1.00 21.20 H new ATOM 0 HB1 ALA A 22 4.218 16.898 6.285 1.00 21.40 H new ATOM 0 HB2 ALA A 22 4.921 15.514 7.154 1.00 21.40 H new ATOM 0 HB3 ALA A 22 3.915 15.241 5.712 1.00 21.40 H new ATOM 341 N LYS A 23 0.423 15.842 7.061 1.00 74.30 N ATOM 342 CA LYS A 23 -0.810 16.297 6.427 1.00 14.40 C ATOM 343 C LYS A 23 -0.733 16.148 4.909 1.00 4.43 C ATOM 344 O LYS A 23 -0.878 17.120 4.168 1.00 74.30 O ATOM 345 CB LYS A 23 -1.090 17.755 6.802 1.00 63.00 C ATOM 346 CG LYS A 23 -2.065 17.908 7.959 1.00 3.41 C ATOM 347 CD LYS A 23 -1.389 18.500 9.187 1.00 14.40 C ATOM 348 CE LYS A 23 -2.273 18.387 10.417 1.00 61.00 C ATOM 349 NZ LYS A 23 -1.516 18.651 11.673 1.00 14.50 N ATOM 0 H LYS A 23 0.293 15.112 7.761 1.00 74.30 H new ATOM 0 HA LYS A 23 -1.628 15.674 6.788 1.00 14.40 H new ATOM 0 HB2 LYS A 23 -0.150 18.242 7.063 1.00 63.00 H new ATOM 0 HB3 LYS A 23 -1.488 18.276 5.931 1.00 63.00 H new ATOM 0 HG2 LYS A 23 -2.893 18.548 7.655 1.00 3.41 H new ATOM 0 HG3 LYS A 23 -2.489 16.935 8.210 1.00 3.41 H new ATOM 0 HD2 LYS A 23 -0.445 17.986 9.367 1.00 14.40 H new ATOM 0 HD3 LYS A 23 -1.151 19.548 9.003 1.00 14.40 H new ATOM 0 HE2 LYS A 23 -3.099 19.093 10.336 1.00 61.00 H new ATOM 0 HE3 LYS A 23 -2.710 17.389 10.460 1.00 61.00 H new ATOM 0 HZ1 LYS A 23 -2.155 18.564 12.489 1.00 14.50 H new ATOM 0 HZ2 LYS A 23 -0.743 17.961 11.764 1.00 14.50 H new ATOM 0 HZ3 LYS A 23 -1.120 19.612 11.644 1.00 14.50 H new ATOM 363 N ASN A 24 -0.502 14.921 4.454 1.00 11.00 N ATOM 364 CA ASN A 24 -0.404 14.640 3.026 1.00 31.10 C ATOM 365 C ASN A 24 -1.413 13.573 2.612 1.00 51.10 C ATOM 366 O ASN A 24 -1.078 12.633 1.891 1.00 0.13 O ATOM 367 CB ASN A 24 1.013 14.188 2.669 1.00 42.20 C ATOM 368 CG ASN A 24 1.991 15.346 2.605 1.00 30.10 C ATOM 369 OD1 ASN A 24 2.515 15.788 3.628 1.00 42.40 O ATOM 370 ND2 ASN A 24 2.240 15.844 1.400 1.00 3.41 N ATOM 0 H ASN A 24 -0.379 14.105 5.054 1.00 11.00 H new ATOM 0 HA ASN A 24 -0.630 15.558 2.483 1.00 31.10 H new ATOM 0 HB2 ASN A 24 1.358 13.465 3.408 1.00 42.20 H new ATOM 0 HB3 ASN A 24 0.997 13.676 1.707 1.00 42.20 H new ATOM 0 HD21 ASN A 24 2.888 16.624 1.295 1.00 3.41 H new ATOM 0 HD22 ASN A 24 1.783 15.446 0.579 1.00 3.41 H new ATOM 377 N TYR A 25 -2.651 13.724 3.075 1.00 71.20 N ATOM 378 CA TYR A 25 -3.712 12.774 2.756 1.00 23.20 C ATOM 379 C TYR A 25 -3.821 12.559 1.249 1.00 24.20 C ATOM 380 O TYR A 25 -4.193 11.478 0.791 1.00 45.40 O ATOM 381 CB TYR A 25 -5.050 13.269 3.309 1.00 35.40 C ATOM 382 CG TYR A 25 -5.078 13.384 4.817 1.00 2.03 C ATOM 383 CD1 TYR A 25 -5.465 12.310 5.608 1.00 2.44 C ATOM 384 CD2 TYR A 25 -4.718 14.568 5.448 1.00 34.40 C ATOM 385 CE1 TYR A 25 -5.492 12.411 6.985 1.00 54.20 C ATOM 386 CE2 TYR A 25 -4.742 14.677 6.826 1.00 30.00 C ATOM 387 CZ TYR A 25 -5.130 13.597 7.590 1.00 34.10 C ATOM 388 OH TYR A 25 -5.156 13.702 8.961 1.00 52.30 O ATOM 0 H TYR A 25 -2.944 14.496 3.673 1.00 71.20 H new ATOM 0 HA TYR A 25 -3.462 11.821 3.222 1.00 23.20 H new ATOM 0 HB2 TYR A 25 -5.275 14.243 2.875 1.00 35.40 H new ATOM 0 HB3 TYR A 25 -5.839 12.588 2.990 1.00 35.40 H new ATOM 0 HD1 TYR A 25 -5.750 11.380 5.138 1.00 2.44 H new ATOM 0 HD2 TYR A 25 -4.415 15.417 4.853 1.00 34.40 H new ATOM 0 HE1 TYR A 25 -5.795 11.566 7.585 1.00 54.20 H new ATOM 0 HE2 TYR A 25 -4.458 15.604 7.302 1.00 30.00 H new ATOM 0 HH TYR A 25 -4.872 14.602 9.226 1.00 52.30 H new ATOM 398 N GLU A 26 -3.492 13.593 0.482 1.00 24.00 N ATOM 399 CA GLU A 26 -3.551 13.516 -0.972 1.00 4.15 C ATOM 400 C GLU A 26 -2.453 12.605 -1.513 1.00 75.50 C ATOM 401 O GLU A 26 -2.720 11.688 -2.290 1.00 72.40 O ATOM 402 CB GLU A 26 -3.419 14.913 -1.584 1.00 2.44 C ATOM 403 CG GLU A 26 -4.753 15.603 -1.820 1.00 73.30 C ATOM 404 CD GLU A 26 -5.175 15.574 -3.275 1.00 34.40 C ATOM 405 OE1 GLU A 26 -4.550 16.287 -4.089 1.00 31.20 O ATOM 406 OE2 GLU A 26 -6.130 14.839 -3.603 1.00 73.50 O ATOM 0 H GLU A 26 -3.182 14.495 0.844 1.00 24.00 H new ATOM 0 HA GLU A 26 -4.517 13.095 -1.250 1.00 4.15 H new ATOM 0 HB2 GLU A 26 -2.810 15.533 -0.926 1.00 2.44 H new ATOM 0 HB3 GLU A 26 -2.886 14.836 -2.532 1.00 2.44 H new ATOM 0 HG2 GLU A 26 -5.520 15.121 -1.214 1.00 73.30 H new ATOM 0 HG3 GLU A 26 -4.687 16.638 -1.485 1.00 73.30 H new ATOM 413 N GLU A 27 -1.218 12.865 -1.097 1.00 75.40 N ATOM 414 CA GLU A 27 -0.079 12.068 -1.538 1.00 23.20 C ATOM 415 C GLU A 27 -0.163 10.648 -0.988 1.00 54.00 C ATOM 416 O GLU A 27 0.136 9.682 -1.690 1.00 41.10 O ATOM 417 CB GLU A 27 1.229 12.724 -1.094 1.00 53.20 C ATOM 418 CG GLU A 27 2.424 12.339 -1.951 1.00 1.02 C ATOM 419 CD GLU A 27 2.600 13.251 -3.149 1.00 22.10 C ATOM 420 OE1 GLU A 27 3.204 14.332 -2.987 1.00 23.50 O ATOM 421 OE2 GLU A 27 2.132 12.885 -4.247 1.00 60.10 O ATOM 0 H GLU A 27 -0.980 13.621 -0.455 1.00 75.40 H new ATOM 0 HA GLU A 27 -0.101 12.017 -2.627 1.00 23.20 H new ATOM 0 HB2 GLU A 27 1.109 13.807 -1.118 1.00 53.20 H new ATOM 0 HB3 GLU A 27 1.431 12.449 -0.059 1.00 53.20 H new ATOM 0 HG2 GLU A 27 3.327 12.367 -1.342 1.00 1.02 H new ATOM 0 HG3 GLU A 27 2.304 11.312 -2.295 1.00 1.02 H new ATOM 428 N ALA A 28 -0.571 10.530 0.271 1.00 64.30 N ATOM 429 CA ALA A 28 -0.693 9.227 0.915 1.00 24.30 C ATOM 430 C ALA A 28 -1.668 8.330 0.160 1.00 24.00 C ATOM 431 O ALA A 28 -1.479 7.116 0.084 1.00 30.40 O ATOM 432 CB ALA A 28 -1.139 9.393 2.360 1.00 11.20 C ATOM 0 H ALA A 28 -0.823 11.320 0.865 1.00 64.30 H new ATOM 0 HA ALA A 28 0.287 8.749 0.900 1.00 24.30 H new ATOM 0 HB1 ALA A 28 -1.226 8.413 2.829 1.00 11.20 H new ATOM 0 HB2 ALA A 28 -0.405 9.990 2.901 1.00 11.20 H new ATOM 0 HB3 ALA A 28 -2.106 9.895 2.387 1.00 11.20 H new ATOM 438 N LEU A 29 -2.710 8.937 -0.398 1.00 24.10 N ATOM 439 CA LEU A 29 -3.715 8.194 -1.149 1.00 44.30 C ATOM 440 C LEU A 29 -3.089 7.493 -2.351 1.00 21.20 C ATOM 441 O LEU A 29 -3.390 6.333 -2.631 1.00 3.31 O ATOM 442 CB LEU A 29 -4.830 9.132 -1.616 1.00 15.10 C ATOM 443 CG LEU A 29 -6.077 8.435 -2.164 1.00 71.30 C ATOM 444 CD1 LEU A 29 -7.062 8.143 -1.042 1.00 32.10 C ATOM 445 CD2 LEU A 29 -6.731 9.285 -3.242 1.00 40.40 C ATOM 0 H LEU A 29 -2.880 9.941 -0.344 1.00 24.10 H new ATOM 0 HA LEU A 29 -4.138 7.437 -0.489 1.00 44.30 H new ATOM 0 HB2 LEU A 29 -5.125 9.766 -0.779 1.00 15.10 H new ATOM 0 HB3 LEU A 29 -4.431 9.789 -2.389 1.00 15.10 H new ATOM 0 HG LEU A 29 -5.775 7.487 -2.610 1.00 71.30 H new ATOM 0 HD11 LEU A 29 -7.943 7.647 -1.451 1.00 32.10 H new ATOM 0 HD12 LEU A 29 -6.591 7.495 -0.303 1.00 32.10 H new ATOM 0 HD13 LEU A 29 -7.360 9.078 -0.567 1.00 32.10 H new ATOM 0 HD21 LEU A 29 -7.616 8.774 -3.621 1.00 40.40 H new ATOM 0 HD22 LEU A 29 -7.020 10.248 -2.821 1.00 40.40 H new ATOM 0 HD23 LEU A 29 -6.026 9.443 -4.058 1.00 40.40 H new ATOM 457 N ARG A 30 -2.218 8.205 -3.057 1.00 52.20 N ATOM 458 CA ARG A 30 -1.551 7.652 -4.230 1.00 1.20 C ATOM 459 C ARG A 30 -0.401 6.737 -3.822 1.00 13.20 C ATOM 460 O ARG A 30 -0.089 5.769 -4.515 1.00 30.00 O ATOM 461 CB ARG A 30 -1.029 8.778 -5.124 1.00 50.10 C ATOM 462 CG ARG A 30 -2.062 9.303 -6.107 1.00 74.30 C ATOM 463 CD ARG A 30 -3.081 10.198 -5.420 1.00 21.30 C ATOM 464 NE ARG A 30 -4.419 10.036 -5.982 1.00 74.00 N ATOM 465 CZ ARG A 30 -4.818 10.599 -7.121 1.00 52.40 C ATOM 466 NH1 ARG A 30 -3.986 11.359 -7.821 1.00 72.00 N ATOM 467 NH2 ARG A 30 -6.053 10.400 -7.560 1.00 14.20 N ATOM 0 H ARG A 30 -1.957 9.166 -2.838 1.00 52.20 H new ATOM 0 HA ARG A 30 -2.280 7.063 -4.787 1.00 1.20 H new ATOM 0 HB2 ARG A 30 -0.687 9.600 -4.496 1.00 50.10 H new ATOM 0 HB3 ARG A 30 -0.162 8.418 -5.678 1.00 50.10 H new ATOM 0 HG2 ARG A 30 -1.562 9.861 -6.899 1.00 74.30 H new ATOM 0 HG3 ARG A 30 -2.573 8.465 -6.581 1.00 74.30 H new ATOM 0 HD2 ARG A 30 -3.105 9.968 -4.355 1.00 21.30 H new ATOM 0 HD3 ARG A 30 -2.772 11.239 -5.515 1.00 21.30 H new ATOM 0 HE ARG A 30 -5.087 9.458 -5.472 1.00 74.00 H new ATOM 0 HH11 ARG A 30 -3.035 11.515 -7.488 1.00 72.00 H new ATOM 0 HH12 ARG A 30 -4.298 11.787 -8.693 1.00 72.00 H new ATOM 0 HH21 ARG A 30 -6.696 9.816 -7.026 1.00 14.20 H new ATOM 0 HH22 ARG A 30 -6.360 10.831 -8.432 1.00 14.20 H new ATOM 481 N LEU A 31 0.228 7.050 -2.693 1.00 11.30 N ATOM 482 CA LEU A 31 1.345 6.256 -2.195 1.00 2.24 C ATOM 483 C LEU A 31 0.865 4.901 -1.680 1.00 45.30 C ATOM 484 O LEU A 31 1.533 3.884 -1.865 1.00 53.40 O ATOM 485 CB LEU A 31 2.077 7.011 -1.083 1.00 2.41 C ATOM 486 CG LEU A 31 3.371 7.703 -1.514 1.00 1.44 C ATOM 487 CD1 LEU A 31 4.412 6.675 -1.934 1.00 31.10 C ATOM 488 CD2 LEU A 31 3.100 8.682 -2.646 1.00 63.40 C ATOM 0 H LEU A 31 -0.017 7.848 -2.106 1.00 11.30 H new ATOM 0 HA LEU A 31 2.034 6.084 -3.022 1.00 2.24 H new ATOM 0 HB2 LEU A 31 1.403 7.760 -0.669 1.00 2.41 H new ATOM 0 HB3 LEU A 31 2.307 6.311 -0.280 1.00 2.41 H new ATOM 0 HG LEU A 31 3.763 8.261 -0.663 1.00 1.44 H new ATOM 0 HD11 LEU A 31 5.326 7.186 -2.237 1.00 31.10 H new ATOM 0 HD12 LEU A 31 4.628 6.012 -1.096 1.00 31.10 H new ATOM 0 HD13 LEU A 31 4.029 6.090 -2.770 1.00 31.10 H new ATOM 0 HD21 LEU A 31 4.032 9.165 -2.940 1.00 63.40 H new ATOM 0 HD22 LEU A 31 2.684 8.146 -3.499 1.00 63.40 H new ATOM 0 HD23 LEU A 31 2.389 9.438 -2.311 1.00 63.40 H new ATOM 500 N TYR A 32 -0.295 4.896 -1.031 1.00 70.00 N ATOM 501 CA TYR A 32 -0.862 3.667 -0.489 1.00 74.40 C ATOM 502 C TYR A 32 -1.461 2.806 -1.597 1.00 44.40 C ATOM 503 O TYR A 32 -1.243 1.596 -1.642 1.00 1.41 O ATOM 504 CB TYR A 32 -1.932 3.994 0.557 1.00 35.20 C ATOM 505 CG TYR A 32 -1.470 3.783 1.981 1.00 44.10 C ATOM 506 CD1 TYR A 32 -1.057 2.532 2.420 1.00 70.40 C ATOM 507 CD2 TYR A 32 -1.447 4.837 2.887 1.00 60.30 C ATOM 508 CE1 TYR A 32 -0.634 2.334 3.720 1.00 71.10 C ATOM 509 CE2 TYR A 32 -1.026 4.648 4.190 1.00 73.40 C ATOM 510 CZ TYR A 32 -0.620 3.396 4.601 1.00 64.10 C ATOM 511 OH TYR A 32 -0.200 3.204 5.897 1.00 13.40 O ATOM 0 H TYR A 32 -0.860 5.729 -0.868 1.00 70.00 H new ATOM 0 HA TYR A 32 -0.058 3.104 -0.014 1.00 74.40 H new ATOM 0 HB2 TYR A 32 -2.243 5.032 0.435 1.00 35.20 H new ATOM 0 HB3 TYR A 32 -2.810 3.374 0.373 1.00 35.20 H new ATOM 0 HD1 TYR A 32 -1.067 1.699 1.733 1.00 70.40 H new ATOM 0 HD2 TYR A 32 -1.763 5.819 2.568 1.00 60.30 H new ATOM 0 HE1 TYR A 32 -0.316 1.354 4.045 1.00 71.10 H new ATOM 0 HE2 TYR A 32 -1.015 5.477 4.883 1.00 73.40 H new ATOM 0 HH TYR A 32 -0.250 4.052 6.386 1.00 13.40 H new ATOM 521 N GLN A 33 -2.217 3.439 -2.489 1.00 31.40 N ATOM 522 CA GLN A 33 -2.850 2.730 -3.597 1.00 23.10 C ATOM 523 C GLN A 33 -1.808 2.032 -4.466 1.00 34.40 C ATOM 524 O GLN A 33 -2.085 0.998 -5.074 1.00 14.20 O ATOM 525 CB GLN A 33 -3.671 3.701 -4.446 1.00 54.00 C ATOM 526 CG GLN A 33 -5.004 4.077 -3.822 1.00 13.30 C ATOM 527 CD GLN A 33 -5.854 4.938 -4.737 1.00 42.50 C ATOM 528 OE1 GLN A 33 -5.642 6.146 -4.846 1.00 31.10 O ATOM 529 NE2 GLN A 33 -6.823 4.319 -5.400 1.00 3.11 N ATOM 0 H GLN A 33 -2.406 4.441 -2.467 1.00 31.40 H new ATOM 0 HA GLN A 33 -3.512 1.972 -3.179 1.00 23.10 H new ATOM 0 HB2 GLN A 33 -3.089 4.607 -4.612 1.00 54.00 H new ATOM 0 HB3 GLN A 33 -3.850 3.254 -5.424 1.00 54.00 H new ATOM 0 HG2 GLN A 33 -5.552 3.169 -3.571 1.00 13.30 H new ATOM 0 HG3 GLN A 33 -4.826 4.611 -2.888 1.00 13.30 H new ATOM 0 HE21 GLN A 33 -6.963 3.316 -5.280 1.00 3.11 H new ATOM 0 HE22 GLN A 33 -7.427 4.846 -6.030 1.00 3.11 H new ATOM 538 N HIS A 34 -0.609 2.605 -4.522 1.00 1.31 N ATOM 539 CA HIS A 34 0.473 2.037 -5.319 1.00 10.20 C ATOM 540 C HIS A 34 0.998 0.750 -4.689 1.00 74.20 C ATOM 541 O HIS A 34 1.175 -0.260 -5.371 1.00 11.10 O ATOM 542 CB HIS A 34 1.610 3.049 -5.466 1.00 35.50 C ATOM 543 CG HIS A 34 1.592 3.783 -6.771 1.00 31.40 C ATOM 544 ND1 HIS A 34 2.539 3.592 -7.755 1.00 62.20 N ATOM 545 CD2 HIS A 34 0.733 4.712 -7.254 1.00 31.20 C ATOM 546 CE1 HIS A 34 2.265 4.372 -8.785 1.00 42.10 C ATOM 547 NE2 HIS A 34 1.173 5.061 -8.507 1.00 21.20 N ATOM 0 H HIS A 34 -0.363 3.461 -4.025 1.00 1.31 H new ATOM 0 HA HIS A 34 0.077 1.799 -6.306 1.00 10.20 H new ATOM 0 HB2 HIS A 34 1.551 3.771 -4.651 1.00 35.50 H new ATOM 0 HB3 HIS A 34 2.563 2.530 -5.363 1.00 35.50 H new ATOM 0 HD2 HIS A 34 -0.136 5.105 -6.748 1.00 31.20 H new ATOM 0 HE1 HIS A 34 2.837 4.436 -9.699 1.00 42.10 H new ATOM 0 HE2 HIS A 34 0.729 5.742 -9.123 1.00 21.20 H new ATOM 556 N ALA A 35 1.247 0.794 -3.384 1.00 73.30 N ATOM 557 CA ALA A 35 1.753 -0.368 -2.663 1.00 2.14 C ATOM 558 C ALA A 35 0.784 -1.541 -2.756 1.00 54.10 C ATOM 559 O ALA A 35 1.195 -2.701 -2.734 1.00 33.00 O ATOM 560 CB ALA A 35 2.013 -0.011 -1.207 1.00 54.10 C ATOM 0 H ALA A 35 1.107 1.622 -2.805 1.00 73.30 H new ATOM 0 HA ALA A 35 2.692 -0.671 -3.127 1.00 2.14 H new ATOM 0 HB1 ALA A 35 2.390 -0.887 -0.679 1.00 54.10 H new ATOM 0 HB2 ALA A 35 2.751 0.790 -1.155 1.00 54.10 H new ATOM 0 HB3 ALA A 35 1.084 0.320 -0.742 1.00 54.10 H new ATOM 566 N VAL A 36 -0.506 -1.233 -2.860 1.00 5.11 N ATOM 567 CA VAL A 36 -1.533 -2.263 -2.954 1.00 72.00 C ATOM 568 C VAL A 36 -1.462 -2.992 -4.292 1.00 53.20 C ATOM 569 O VAL A 36 -1.690 -4.200 -4.365 1.00 65.50 O ATOM 570 CB VAL A 36 -2.944 -1.668 -2.781 1.00 53.20 C ATOM 571 CG1 VAL A 36 -3.988 -2.774 -2.724 1.00 14.30 C ATOM 572 CG2 VAL A 36 -3.011 -0.798 -1.534 1.00 20.30 C ATOM 0 H VAL A 36 -0.864 -0.278 -2.881 1.00 5.11 H new ATOM 0 HA VAL A 36 -1.344 -2.971 -2.147 1.00 72.00 H new ATOM 0 HB VAL A 36 -3.159 -1.040 -3.645 1.00 53.20 H new ATOM 0 HG11 VAL A 36 -4.978 -2.334 -2.602 1.00 14.30 H new ATOM 0 HG12 VAL A 36 -3.959 -3.350 -3.649 1.00 14.30 H new ATOM 0 HG13 VAL A 36 -3.776 -3.431 -1.881 1.00 14.30 H new ATOM 0 HG21 VAL A 36 -4.015 -0.388 -1.430 1.00 20.30 H new ATOM 0 HG22 VAL A 36 -2.773 -1.400 -0.657 1.00 20.30 H new ATOM 0 HG23 VAL A 36 -2.293 0.018 -1.620 1.00 20.30 H new ATOM 582 N GLU A 37 -1.146 -2.252 -5.349 1.00 31.20 N ATOM 583 CA GLU A 37 -1.047 -2.828 -6.685 1.00 71.20 C ATOM 584 C GLU A 37 0.172 -3.739 -6.800 1.00 2.21 C ATOM 585 O GLU A 37 0.159 -4.718 -7.546 1.00 63.30 O ATOM 586 CB GLU A 37 -0.969 -1.719 -7.737 1.00 20.30 C ATOM 587 CG GLU A 37 -2.324 -1.151 -8.124 1.00 72.20 C ATOM 588 CD GLU A 37 -2.798 -1.641 -9.478 1.00 53.10 C ATOM 589 OE1 GLU A 37 -3.175 -2.828 -9.580 1.00 11.40 O ATOM 590 OE2 GLU A 37 -2.791 -0.840 -10.430 1.00 40.40 O ATOM 0 H GLU A 37 -0.954 -1.251 -5.306 1.00 31.20 H new ATOM 0 HA GLU A 37 -1.941 -3.426 -6.861 1.00 71.20 H new ATOM 0 HB2 GLU A 37 -0.342 -0.913 -7.357 1.00 20.30 H new ATOM 0 HB3 GLU A 37 -0.480 -2.110 -8.629 1.00 20.30 H new ATOM 0 HG2 GLU A 37 -3.058 -1.424 -7.366 1.00 72.20 H new ATOM 0 HG3 GLU A 37 -2.267 -0.063 -8.135 1.00 72.20 H new ATOM 597 N TYR A 38 1.223 -3.409 -6.057 1.00 53.10 N ATOM 598 CA TYR A 38 2.450 -4.197 -6.077 1.00 50.20 C ATOM 599 C TYR A 38 2.263 -5.520 -5.343 1.00 24.10 C ATOM 600 O TYR A 38 2.831 -6.542 -5.729 1.00 35.50 O ATOM 601 CB TYR A 38 3.597 -3.407 -5.444 1.00 65.10 C ATOM 602 CG TYR A 38 4.376 -2.570 -6.433 1.00 14.10 C ATOM 603 CD1 TYR A 38 3.859 -1.378 -6.922 1.00 21.30 C ATOM 604 CD2 TYR A 38 5.629 -2.973 -6.878 1.00 35.30 C ATOM 605 CE1 TYR A 38 4.567 -0.611 -7.827 1.00 12.10 C ATOM 606 CE2 TYR A 38 6.345 -2.211 -7.782 1.00 23.10 C ATOM 607 CZ TYR A 38 5.809 -1.032 -8.253 1.00 60.00 C ATOM 608 OH TYR A 38 6.518 -0.270 -9.155 1.00 53.30 O ATOM 0 H TYR A 38 1.250 -2.602 -5.434 1.00 53.10 H new ATOM 0 HA TYR A 38 2.695 -4.413 -7.117 1.00 50.20 H new ATOM 0 HB2 TYR A 38 3.194 -2.756 -4.669 1.00 65.10 H new ATOM 0 HB3 TYR A 38 4.278 -4.102 -4.954 1.00 65.10 H new ATOM 0 HD1 TYR A 38 2.887 -1.045 -6.589 1.00 21.30 H new ATOM 0 HD2 TYR A 38 6.051 -3.897 -6.511 1.00 35.30 H new ATOM 0 HE1 TYR A 38 4.150 0.313 -8.199 1.00 12.10 H new ATOM 0 HE2 TYR A 38 7.318 -2.538 -8.117 1.00 23.10 H new ATOM 0 HH TYR A 38 7.373 -0.706 -9.351 1.00 53.30 H new ATOM 618 N PHE A 39 1.465 -5.495 -4.281 1.00 12.00 N ATOM 619 CA PHE A 39 1.207 -6.694 -3.491 1.00 4.32 C ATOM 620 C PHE A 39 0.334 -7.680 -4.260 1.00 13.00 C ATOM 621 O PHE A 39 0.638 -8.871 -4.329 1.00 60.40 O ATOM 622 CB PHE A 39 0.531 -6.322 -2.169 1.00 53.00 C ATOM 623 CG PHE A 39 1.499 -5.907 -1.097 1.00 52.00 C ATOM 624 CD1 PHE A 39 2.482 -6.778 -0.657 1.00 51.50 C ATOM 625 CD2 PHE A 39 1.423 -4.645 -0.530 1.00 34.30 C ATOM 626 CE1 PHE A 39 3.373 -6.399 0.328 1.00 33.00 C ATOM 627 CE2 PHE A 39 2.312 -4.260 0.457 1.00 11.50 C ATOM 628 CZ PHE A 39 3.288 -5.139 0.887 1.00 74.40 C ATOM 0 H PHE A 39 0.986 -4.659 -3.947 1.00 12.00 H new ATOM 0 HA PHE A 39 2.164 -7.172 -3.283 1.00 4.32 H new ATOM 0 HB2 PHE A 39 -0.173 -5.509 -2.346 1.00 53.00 H new ATOM 0 HB3 PHE A 39 -0.049 -7.174 -1.814 1.00 53.00 H new ATOM 0 HD1 PHE A 39 2.553 -7.765 -1.089 1.00 51.50 H new ATOM 0 HD2 PHE A 39 0.662 -3.955 -0.862 1.00 34.30 H new ATOM 0 HE1 PHE A 39 4.136 -7.088 0.661 1.00 33.00 H new ATOM 0 HE2 PHE A 39 2.244 -3.274 0.891 1.00 11.50 H new ATOM 0 HZ PHE A 39 3.983 -4.841 1.658 1.00 74.40 H new ATOM 638 N LEU A 40 -0.753 -7.178 -4.838 1.00 43.20 N ATOM 639 CA LEU A 40 -1.672 -8.015 -5.601 1.00 42.20 C ATOM 640 C LEU A 40 -0.955 -8.695 -6.763 1.00 21.20 C ATOM 641 O LEU A 40 -1.151 -9.884 -7.017 1.00 21.40 O ATOM 642 CB LEU A 40 -2.840 -7.179 -6.126 1.00 52.10 C ATOM 643 CG LEU A 40 -4.016 -7.029 -5.159 1.00 73.30 C ATOM 644 CD1 LEU A 40 -5.009 -6.003 -5.681 1.00 14.40 C ATOM 645 CD2 LEU A 40 -4.698 -8.372 -4.939 1.00 54.10 C ATOM 0 H LEU A 40 -1.019 -6.194 -4.792 1.00 43.20 H new ATOM 0 HA LEU A 40 -2.057 -8.787 -4.935 1.00 42.20 H new ATOM 0 HB2 LEU A 40 -2.470 -6.186 -6.381 1.00 52.10 H new ATOM 0 HB3 LEU A 40 -3.204 -7.630 -7.049 1.00 52.10 H new ATOM 0 HG LEU A 40 -3.633 -6.677 -4.201 1.00 73.30 H new ATOM 0 HD11 LEU A 40 -5.838 -5.910 -4.980 1.00 14.40 H new ATOM 0 HD12 LEU A 40 -4.513 -5.038 -5.787 1.00 14.40 H new ATOM 0 HD13 LEU A 40 -5.388 -6.324 -6.651 1.00 14.40 H new ATOM 0 HD21 LEU A 40 -5.532 -8.248 -4.249 1.00 54.10 H new ATOM 0 HD22 LEU A 40 -5.068 -8.752 -5.891 1.00 54.10 H new ATOM 0 HD23 LEU A 40 -3.982 -9.079 -4.520 1.00 54.10 H new ATOM 657 N HIS A 41 -0.124 -7.933 -7.467 1.00 5.35 N ATOM 658 CA HIS A 41 0.621 -8.463 -8.604 1.00 61.10 C ATOM 659 C HIS A 41 1.720 -9.414 -8.143 1.00 74.50 C ATOM 660 O HIS A 41 2.082 -10.350 -8.853 1.00 74.10 O ATOM 661 CB HIS A 41 1.228 -7.320 -9.419 1.00 75.10 C ATOM 662 CG HIS A 41 1.772 -7.753 -10.740 1.00 51.40 C ATOM 663 ND1 HIS A 41 1.312 -7.256 -11.940 1.00 71.00 N ATOM 664 CD2 HIS A 41 2.743 -8.645 -11.050 1.00 23.50 C ATOM 665 CE1 HIS A 41 1.976 -7.822 -12.930 1.00 3.31 C ATOM 666 NE2 HIS A 41 2.850 -8.667 -12.420 1.00 43.50 N ATOM 0 H HIS A 41 0.050 -6.947 -7.271 1.00 5.35 H new ATOM 0 HA HIS A 41 -0.074 -9.020 -9.232 1.00 61.10 H new ATOM 0 HB2 HIS A 41 0.467 -6.556 -9.581 1.00 75.10 H new ATOM 0 HB3 HIS A 41 2.027 -6.856 -8.840 1.00 75.10 H new ATOM 0 HD2 HIS A 41 3.324 -9.229 -10.352 1.00 23.50 H new ATOM 0 HE1 HIS A 41 1.828 -7.626 -13.982 1.00 3.31 H new ATOM 0 HE2 HIS A 41 3.500 -9.243 -12.955 1.00 43.50 H new ATOM 675 N ALA A 42 2.252 -9.164 -6.950 1.00 10.30 N ATOM 676 CA ALA A 42 3.312 -9.997 -6.397 1.00 23.20 C ATOM 677 C ALA A 42 2.812 -11.410 -6.110 1.00 61.00 C ATOM 678 O ALA A 42 3.519 -12.380 -6.350 1.00 22.00 O ATOM 679 CB ALA A 42 3.870 -9.367 -5.130 1.00 53.20 C ATOM 0 H ALA A 42 1.966 -8.391 -6.349 1.00 10.30 H new ATOM 0 HA ALA A 42 4.108 -10.066 -7.139 1.00 23.20 H new ATOM 0 HB1 ALA A 42 4.661 -9.999 -4.727 1.00 53.20 H new ATOM 0 HB2 ALA A 42 4.275 -8.382 -5.362 1.00 53.20 H new ATOM 0 HB3 ALA A 42 3.074 -9.267 -4.392 1.00 53.20 H new ATOM 685 N ILE A 43 1.593 -11.500 -5.594 1.00 13.20 N ATOM 686 CA ILE A 43 1.000 -12.790 -5.271 1.00 40.40 C ATOM 687 C ILE A 43 0.591 -13.550 -6.533 1.00 34.20 C ATOM 688 O ILE A 43 0.864 -14.740 -6.673 1.00 11.20 O ATOM 689 CB ILE A 43 -0.233 -12.640 -4.359 1.00 30.30 C ATOM 690 CG1 ILE A 43 0.103 -11.750 -3.156 1.00 45.30 C ATOM 691 CG2 ILE A 43 -0.732 -14.000 -3.898 1.00 73.50 C ATOM 692 CD1 ILE A 43 -1.010 -10.800 -2.777 1.00 74.30 C ATOM 0 H ILE A 43 0.997 -10.697 -5.391 1.00 13.20 H new ATOM 0 HA ILE A 43 1.767 -13.355 -4.742 1.00 40.40 H new ATOM 0 HB ILE A 43 -1.030 -12.165 -4.931 1.00 30.30 H new ATOM 0 HG12 ILE A 43 0.336 -12.383 -2.300 1.00 45.30 H new ATOM 0 HG13 ILE A 43 1.001 -11.174 -3.380 1.00 45.30 H new ATOM 0 HG21 ILE A 43 -1.603 -13.869 -3.255 1.00 73.50 H new ATOM 0 HG22 ILE A 43 -1.008 -14.600 -4.765 1.00 73.50 H new ATOM 0 HG23 ILE A 43 0.056 -14.507 -3.342 1.00 73.50 H new ATOM 0 HD11 ILE A 43 -0.702 -10.203 -1.919 1.00 74.30 H new ATOM 0 HD12 ILE A 43 -1.229 -10.142 -3.618 1.00 74.30 H new ATOM 0 HD13 ILE A 43 -1.903 -11.370 -2.521 1.00 74.30 H new ATOM 704 N LYS A 44 -0.069 -12.850 -7.449 1.00 3.31 N ATOM 705 CA LYS A 44 -0.519 -13.450 -8.698 1.00 3.52 C ATOM 706 C LYS A 44 0.659 -13.990 -9.503 1.00 65.20 C ATOM 707 O LYS A 44 0.569 -15.050 -10.110 1.00 21.30 O ATOM 708 CB LYS A 44 -1.298 -12.430 -9.532 1.00 73.20 C ATOM 709 CG LYS A 44 -2.534 -13.010 -10.200 1.00 31.20 C ATOM 710 CD LYS A 44 -2.228 -13.510 -11.600 1.00 2.51 C ATOM 711 CE LYS A 44 -3.411 -14.250 -12.200 1.00 15.40 C ATOM 712 NZ LYS A 44 -3.244 -15.730 -12.100 1.00 52.00 N ATOM 0 H LYS A 44 -0.305 -11.863 -7.349 1.00 3.31 H new ATOM 0 HA LYS A 44 -1.177 -14.283 -8.450 1.00 3.52 H new ATOM 0 HB2 LYS A 44 -1.597 -11.601 -8.891 1.00 73.20 H new ATOM 0 HB3 LYS A 44 -0.640 -12.020 -10.298 1.00 73.20 H new ATOM 0 HG2 LYS A 44 -2.924 -13.830 -9.597 1.00 31.20 H new ATOM 0 HG3 LYS A 44 -3.314 -12.250 -10.247 1.00 31.20 H new ATOM 0 HD2 LYS A 44 -1.964 -12.667 -12.238 1.00 2.51 H new ATOM 0 HD3 LYS A 44 -1.362 -14.171 -11.570 1.00 2.51 H new ATOM 0 HE2 LYS A 44 -4.325 -13.951 -11.687 1.00 15.40 H new ATOM 0 HE3 LYS A 44 -3.525 -13.966 -13.246 1.00 15.40 H new ATOM 0 HZ1 LYS A 44 -4.070 -16.202 -12.520 1.00 52.00 H new ATOM 0 HZ2 LYS A 44 -2.385 -16.018 -12.611 1.00 52.00 H new ATOM 0 HZ3 LYS A 44 -3.160 -16.003 -11.100 1.00 52.00 H new ATOM 726 N TYR A 45 1.764 -13.250 -9.495 1.00 72.30 N ATOM 727 CA TYR A 45 2.959 -13.660 -10.220 1.00 70.10 C ATOM 728 C TYR A 45 3.885 -14.490 -9.346 1.00 41.30 C ATOM 729 O TYR A 45 4.126 -15.670 -9.619 1.00 31.20 O ATOM 730 CB TYR A 45 3.702 -12.430 -10.750 1.00 64.10 C ATOM 731 CG TYR A 45 3.349 -12.070 -12.170 1.00 13.20 C ATOM 732 CD1 TYR A 45 2.079 -11.610 -12.500 1.00 31.30 C ATOM 733 CD2 TYR A 45 4.285 -12.190 -13.190 1.00 60.40 C ATOM 734 CE1 TYR A 45 1.752 -11.280 -13.800 1.00 64.10 C ATOM 735 CE2 TYR A 45 3.966 -11.860 -14.500 1.00 61.30 C ATOM 736 CZ TYR A 45 2.698 -11.410 -14.800 1.00 21.00 C ATOM 737 OH TYR A 45 2.377 -11.090 -16.100 1.00 32.20 O ATOM 0 H TYR A 45 1.855 -12.366 -8.995 1.00 72.30 H new ATOM 0 HA TYR A 45 2.643 -14.281 -11.058 1.00 70.10 H new ATOM 0 HB2 TYR A 45 3.483 -11.579 -10.105 1.00 64.10 H new ATOM 0 HB3 TYR A 45 4.775 -12.610 -10.687 1.00 64.10 H new ATOM 0 HD1 TYR A 45 1.334 -11.509 -11.724 1.00 31.30 H new ATOM 0 HD2 TYR A 45 5.278 -12.546 -12.959 1.00 60.40 H new ATOM 0 HE1 TYR A 45 0.761 -10.922 -14.035 1.00 64.10 H new ATOM 0 HE2 TYR A 45 4.707 -11.955 -15.280 1.00 61.30 H new ATOM 0 HH TYR A 45 3.157 -11.238 -16.675 1.00 32.20 H new ATOM 747 N GLU A 46 4.406 -13.870 -8.290 1.00 14.30 N ATOM 748 CA GLU A 46 5.308 -14.560 -7.372 1.00 61.10 C ATOM 749 C GLU A 46 4.556 -15.070 -6.149 1.00 75.40 C ATOM 750 O GLU A 46 4.409 -14.360 -5.154 1.00 61.30 O ATOM 751 CB GLU A 46 6.433 -13.620 -6.934 1.00 30.20 C ATOM 752 CG GLU A 46 7.648 -13.660 -7.847 1.00 31.50 C ATOM 753 CD GLU A 46 8.926 -13.260 -7.136 1.00 63.10 C ATOM 754 OE1 GLU A 46 9.081 -12.060 -6.824 1.00 62.40 O ATOM 755 OE2 GLU A 46 9.770 -14.140 -6.890 1.00 70.10 O ATOM 0 H GLU A 46 4.220 -12.896 -8.050 1.00 14.30 H new ATOM 0 HA GLU A 46 5.736 -15.415 -7.895 1.00 61.10 H new ATOM 0 HB2 GLU A 46 6.050 -12.600 -6.897 1.00 30.20 H new ATOM 0 HB3 GLU A 46 6.741 -13.882 -5.922 1.00 30.20 H new ATOM 0 HG2 GLU A 46 7.761 -14.666 -8.251 1.00 31.50 H new ATOM 0 HG3 GLU A 46 7.484 -12.993 -8.693 1.00 31.50 H new ATOM 762 N ALA A 47 4.085 -16.310 -6.229 1.00 0.51 N ATOM 763 CA ALA A 47 3.350 -16.920 -5.128 1.00 51.00 C ATOM 764 C ALA A 47 4.302 -17.550 -4.115 1.00 15.20 C ATOM 765 O ALA A 47 5.510 -17.620 -4.344 1.00 53.10 O ATOM 766 CB ALA A 47 2.375 -17.970 -5.655 1.00 75.20 C ATOM 0 H ALA A 47 4.199 -16.912 -7.045 1.00 0.51 H new ATOM 0 HA ALA A 47 2.786 -16.134 -4.625 1.00 51.00 H new ATOM 0 HB1 ALA A 47 1.834 -18.416 -4.820 1.00 75.20 H new ATOM 0 HB2 ALA A 47 1.666 -17.499 -6.336 1.00 75.20 H new ATOM 0 HB3 ALA A 47 2.927 -18.746 -6.185 1.00 75.20 H new ATOM 772 N HIS A 48 3.749 -18.010 -2.997 1.00 25.30 N ATOM 773 CA HIS A 48 4.550 -18.640 -1.951 1.00 71.30 C ATOM 774 C HIS A 48 3.683 -19.520 -1.060 1.00 23.30 C ATOM 775 O HIS A 48 2.525 -19.790 -1.377 1.00 73.00 O ATOM 776 CB HIS A 48 5.247 -17.560 -1.107 1.00 30.10 C ATOM 777 CG HIS A 48 6.728 -17.510 -1.323 1.00 53.30 C ATOM 778 ND1 HIS A 48 7.331 -16.590 -2.163 1.00 71.20 N ATOM 779 CD2 HIS A 48 7.730 -18.250 -0.801 1.00 13.20 C ATOM 780 CE1 HIS A 48 8.639 -16.780 -2.149 1.00 23.10 C ATOM 781 NE2 HIS A 48 8.906 -17.780 -1.330 1.00 14.30 N ATOM 0 H HIS A 48 2.751 -17.959 -2.791 1.00 25.30 H new ATOM 0 HA HIS A 48 5.303 -19.270 -2.424 1.00 71.30 H new ATOM 0 HB2 HIS A 48 4.818 -16.587 -1.347 1.00 30.10 H new ATOM 0 HB3 HIS A 48 5.046 -17.746 -0.052 1.00 30.10 H new ATOM 0 HD2 HIS A 48 7.625 -19.062 -0.097 1.00 13.20 H new ATOM 0 HE1 HIS A 48 9.366 -16.213 -2.712 1.00 23.10 H new ATOM 0 HE2 HIS A 48 9.836 -18.145 -1.124 1.00 14.30 H new ATOM 790 N SER A 49 4.251 -19.970 0.055 1.00 54.30 N ATOM 791 CA SER A 49 3.530 -20.830 0.989 1.00 64.30 C ATOM 792 C SER A 49 2.326 -20.090 1.577 1.00 12.10 C ATOM 793 O SER A 49 2.171 -18.890 1.395 1.00 73.20 O ATOM 794 CB SER A 49 4.460 -21.290 2.113 1.00 20.10 C ATOM 795 OG SER A 49 5.562 -22.010 1.597 1.00 14.20 O ATOM 0 H SER A 49 5.208 -19.754 0.334 1.00 54.30 H new ATOM 0 HA SER A 49 3.173 -21.705 0.446 1.00 64.30 H new ATOM 0 HB2 SER A 49 4.816 -20.425 2.672 1.00 20.10 H new ATOM 0 HB3 SER A 49 3.908 -21.917 2.813 1.00 20.10 H new ATOM 0 HG SER A 49 6.143 -22.292 2.334 1.00 14.20 H new ATOM 801 N ASP A 50 1.478 -20.840 2.283 1.00 54.20 N ATOM 802 CA ASP A 50 0.286 -20.260 2.897 1.00 14.40 C ATOM 803 C ASP A 50 0.658 -19.150 3.870 1.00 74.30 C ATOM 804 O ASP A 50 -0.014 -18.120 3.937 1.00 23.20 O ATOM 805 CB ASP A 50 -0.511 -21.340 3.625 1.00 71.40 C ATOM 806 CG ASP A 50 -1.400 -22.130 2.687 1.00 13.00 C ATOM 807 OD1 ASP A 50 -0.864 -22.760 1.747 1.00 13.20 O ATOM 808 OD2 ASP A 50 -2.632 -22.130 2.891 1.00 25.50 O ATOM 0 H ASP A 50 1.594 -21.841 2.442 1.00 54.20 H new ATOM 0 HA ASP A 50 -0.328 -19.832 2.104 1.00 14.40 H new ATOM 0 HB2 ASP A 50 0.177 -22.019 4.128 1.00 71.40 H new ATOM 0 HB3 ASP A 50 -1.124 -20.877 4.399 1.00 71.40 H new ATOM 813 N LYS A 51 1.731 -19.360 4.625 1.00 73.40 N ATOM 814 CA LYS A 51 2.191 -18.370 5.596 1.00 51.30 C ATOM 815 C LYS A 51 2.513 -17.040 4.916 1.00 64.30 C ATOM 816 O LYS A 51 2.077 -15.980 5.364 1.00 40.00 O ATOM 817 CB LYS A 51 3.425 -18.890 6.336 1.00 10.10 C ATOM 818 CG LYS A 51 3.710 -18.160 7.637 1.00 30.30 C ATOM 819 CD LYS A 51 4.433 -19.050 8.633 1.00 44.30 C ATOM 820 CE LYS A 51 4.375 -18.480 10.040 1.00 15.30 C ATOM 821 NZ LYS A 51 5.367 -17.390 10.236 1.00 21.40 N ATOM 0 H LYS A 51 2.299 -20.206 4.584 1.00 73.40 H new ATOM 0 HA LYS A 51 1.387 -18.202 6.312 1.00 51.30 H new ATOM 0 HB2 LYS A 51 3.291 -19.951 6.547 1.00 10.10 H new ATOM 0 HB3 LYS A 51 4.293 -18.802 5.683 1.00 10.10 H new ATOM 0 HG2 LYS A 51 4.314 -17.276 7.434 1.00 30.30 H new ATOM 0 HG3 LYS A 51 2.773 -17.813 8.072 1.00 30.30 H new ATOM 0 HD2 LYS A 51 3.986 -20.044 8.624 1.00 44.30 H new ATOM 0 HD3 LYS A 51 5.474 -19.166 8.330 1.00 44.30 H new ATOM 0 HE2 LYS A 51 3.373 -18.099 10.237 1.00 15.30 H new ATOM 0 HE3 LYS A 51 4.561 -19.275 10.762 1.00 15.30 H new ATOM 0 HZ1 LYS A 51 5.296 -17.027 11.208 1.00 21.40 H new ATOM 0 HZ2 LYS A 51 6.325 -17.759 10.073 1.00 21.40 H new ATOM 0 HZ3 LYS A 51 5.174 -16.620 9.564 1.00 21.40 H new ATOM 835 N ALA A 52 3.282 -17.110 3.834 1.00 71.10 N ATOM 836 CA ALA A 52 3.666 -15.910 3.093 1.00 52.50 C ATOM 837 C ALA A 52 2.496 -15.370 2.281 1.00 1.21 C ATOM 838 O ALA A 52 2.403 -14.160 2.043 1.00 53.00 O ATOM 839 CB ALA A 52 4.849 -16.220 2.185 1.00 42.10 C ATOM 0 H ALA A 52 3.651 -17.980 3.451 1.00 71.10 H new ATOM 0 HA ALA A 52 3.958 -15.141 3.808 1.00 52.50 H new ATOM 0 HB1 ALA A 52 5.131 -15.322 1.635 1.00 42.10 H new ATOM 0 HB2 ALA A 52 5.692 -16.556 2.788 1.00 42.10 H new ATOM 0 HB3 ALA A 52 4.571 -17.004 1.481 1.00 42.10 H new ATOM 845 N LYS A 53 1.609 -16.260 1.852 1.00 41.00 N ATOM 846 CA LYS A 53 0.449 -15.860 1.061 1.00 30.10 C ATOM 847 C LYS A 53 -0.596 -15.170 1.931 1.00 41.30 C ATOM 848 O LYS A 53 -1.094 -14.100 1.584 1.00 71.00 O ATOM 849 CB LYS A 53 -0.169 -17.080 0.377 1.00 71.10 C ATOM 850 CG LYS A 53 -0.833 -16.760 -0.952 1.00 2.31 C ATOM 851 CD LYS A 53 -1.030 -18.020 -1.792 1.00 71.00 C ATOM 852 CE LYS A 53 -2.488 -18.450 -1.817 1.00 72.00 C ATOM 853 NZ LYS A 53 -3.182 -17.980 -3.050 1.00 10.40 N ATOM 0 H LYS A 53 1.669 -17.261 2.037 1.00 41.00 H new ATOM 0 HA LYS A 53 0.785 -15.153 0.302 1.00 30.10 H new ATOM 0 HB2 LYS A 53 0.607 -17.828 0.215 1.00 71.10 H new ATOM 0 HB3 LYS A 53 -0.907 -17.526 1.044 1.00 71.10 H new ATOM 0 HG2 LYS A 53 -1.798 -16.285 -0.774 1.00 2.31 H new ATOM 0 HG3 LYS A 53 -0.222 -16.045 -1.503 1.00 2.31 H new ATOM 0 HD2 LYS A 53 -0.686 -17.837 -2.810 1.00 71.00 H new ATOM 0 HD3 LYS A 53 -0.418 -18.827 -1.389 1.00 71.00 H new ATOM 0 HE2 LYS A 53 -2.548 -19.537 -1.758 1.00 72.00 H new ATOM 0 HE3 LYS A 53 -2.999 -18.055 -0.939 1.00 72.00 H new ATOM 0 HZ1 LYS A 53 -4.174 -18.293 -3.031 1.00 10.40 H new ATOM 0 HZ2 LYS A 53 -3.147 -16.942 -3.094 1.00 10.40 H new ATOM 0 HZ3 LYS A 53 -2.710 -18.378 -3.887 1.00 10.40 H new ATOM 867 N GLU A 54 -0.926 -15.790 3.060 1.00 33.30 N ATOM 868 CA GLU A 54 -1.914 -15.230 3.977 1.00 1.13 C ATOM 869 C GLU A 54 -1.460 -13.870 4.509 1.00 14.50 C ATOM 870 O GLU A 54 -2.271 -12.970 4.699 1.00 33.30 O ATOM 871 CB GLU A 54 -2.161 -16.190 5.141 1.00 21.30 C ATOM 872 CG GLU A 54 -3.622 -16.280 5.552 1.00 20.40 C ATOM 873 CD GLU A 54 -3.800 -16.370 7.055 1.00 63.20 C ATOM 874 OE1 GLU A 54 -3.651 -15.330 7.731 1.00 22.10 O ATOM 875 OE2 GLU A 54 -4.086 -17.480 7.558 1.00 60.30 O ATOM 0 H GLU A 54 -0.525 -16.678 3.362 1.00 33.30 H new ATOM 0 HA GLU A 54 -2.844 -15.090 3.426 1.00 1.13 H new ATOM 0 HB2 GLU A 54 -1.808 -17.183 4.864 1.00 21.30 H new ATOM 0 HB3 GLU A 54 -1.569 -15.869 5.998 1.00 21.30 H new ATOM 0 HG2 GLU A 54 -4.155 -15.406 5.178 1.00 20.40 H new ATOM 0 HG3 GLU A 54 -4.074 -17.154 5.083 1.00 20.40 H new ATOM 882 N SER A 55 -0.160 -13.740 4.751 1.00 42.30 N ATOM 883 CA SER A 55 0.403 -12.500 5.264 1.00 71.10 C ATOM 884 C SER A 55 0.118 -11.340 4.315 1.00 32.20 C ATOM 885 O SER A 55 -0.366 -10.280 4.733 1.00 10.20 O ATOM 886 CB SER A 55 1.911 -12.640 5.471 1.00 1.51 C ATOM 887 OG SER A 55 2.208 -13.050 6.795 1.00 31.40 O ATOM 0 H SER A 55 0.524 -14.481 4.599 1.00 42.30 H new ATOM 0 HA SER A 55 -0.069 -12.290 6.224 1.00 71.10 H new ATOM 0 HB2 SER A 55 2.313 -13.365 4.764 1.00 1.51 H new ATOM 0 HB3 SER A 55 2.400 -11.688 5.263 1.00 1.51 H new ATOM 0 HG SER A 55 3.179 -13.134 6.902 1.00 31.40 H new ATOM 893 N ILE A 56 0.423 -11.540 3.037 1.00 20.50 N ATOM 894 CA ILE A 56 0.201 -10.510 2.029 1.00 63.50 C ATOM 895 C ILE A 56 -1.288 -10.320 1.754 1.00 14.10 C ATOM 896 O ILE A 56 -1.747 -9.203 1.513 1.00 65.20 O ATOM 897 CB ILE A 56 0.916 -10.850 0.707 1.00 24.30 C ATOM 898 CG1 ILE A 56 2.384 -11.190 0.968 1.00 62.20 C ATOM 899 CG2 ILE A 56 0.807 -9.692 -0.272 1.00 61.30 C ATOM 900 CD1 ILE A 56 2.991 -12.090 -0.091 1.00 31.40 C ATOM 0 H ILE A 56 0.824 -12.405 2.675 1.00 20.50 H new ATOM 0 HA ILE A 56 0.616 -9.585 2.429 1.00 63.50 H new ATOM 0 HB ILE A 56 0.430 -11.721 0.266 1.00 24.30 H new ATOM 0 HG12 ILE A 56 2.959 -10.266 1.022 1.00 62.20 H new ATOM 0 HG13 ILE A 56 2.470 -11.676 1.940 1.00 62.20 H new ATOM 0 HG21 ILE A 56 1.318 -9.950 -1.200 1.00 61.30 H new ATOM 0 HG22 ILE A 56 -0.244 -9.489 -0.480 1.00 61.30 H new ATOM 0 HG23 ILE A 56 1.269 -8.805 0.161 1.00 61.30 H new ATOM 0 HD11 ILE A 56 4.033 -12.291 0.156 1.00 31.40 H new ATOM 0 HD12 ILE A 56 2.440 -13.029 -0.130 1.00 31.40 H new ATOM 0 HD13 ILE A 56 2.937 -11.597 -1.062 1.00 31.40 H new ATOM 912 N ARG A 57 -2.036 -11.410 1.790 1.00 21.40 N ATOM 913 CA ARG A 57 -3.473 -11.370 1.543 1.00 34.30 C ATOM 914 C ARG A 57 -4.186 -10.550 2.613 1.00 72.50 C ATOM 915 O ARG A 57 -4.952 -9.638 2.301 1.00 63.00 O ATOM 916 CB ARG A 57 -4.049 -12.780 1.501 1.00 5.11 C ATOM 917 CG ARG A 57 -5.126 -12.970 0.446 1.00 43.00 C ATOM 918 CD ARG A 57 -4.524 -13.130 -0.942 1.00 12.30 C ATOM 919 NE ARG A 57 -5.534 -13.010 -1.992 1.00 34.00 N ATOM 920 CZ ARG A 57 -5.249 -12.800 -3.274 1.00 23.20 C ATOM 921 NH1 ARG A 57 -3.987 -12.680 -3.670 1.00 75.40 N ATOM 922 NH2 ARG A 57 -6.228 -12.700 -4.165 1.00 30.00 N ATOM 0 H ARG A 57 -1.671 -12.341 1.989 1.00 21.40 H new ATOM 0 HA ARG A 57 -3.633 -10.894 0.576 1.00 34.30 H new ATOM 0 HB2 ARG A 57 -3.241 -13.487 1.314 1.00 5.11 H new ATOM 0 HB3 ARG A 57 -4.465 -13.022 2.479 1.00 5.11 H new ATOM 0 HG2 ARG A 57 -5.723 -13.849 0.688 1.00 43.00 H new ATOM 0 HG3 ARG A 57 -5.801 -12.114 0.455 1.00 43.00 H new ATOM 0 HD2 ARG A 57 -3.753 -12.375 -1.092 1.00 12.30 H new ATOM 0 HD3 ARG A 57 -4.037 -14.102 -1.016 1.00 12.30 H new ATOM 0 HE ARG A 57 -6.515 -13.092 -1.726 1.00 34.00 H new ATOM 0 HH11 ARG A 57 -3.230 -12.749 -2.990 1.00 75.40 H new ATOM 0 HH12 ARG A 57 -3.775 -12.519 -4.655 1.00 75.40 H new ATOM 0 HH21 ARG A 57 -7.200 -12.784 -3.867 1.00 30.00 H new ATOM 0 HH22 ARG A 57 -6.008 -12.539 -5.148 1.00 30.00 H new ATOM 936 N ALA A 58 -3.931 -10.880 3.874 1.00 21.10 N ATOM 937 CA ALA A 58 -4.551 -10.170 4.989 1.00 44.50 C ATOM 938 C ALA A 58 -4.094 -8.722 5.045 1.00 71.30 C ATOM 939 O ALA A 58 -4.833 -7.845 5.495 1.00 62.20 O ATOM 940 CB ALA A 58 -4.234 -10.880 6.300 1.00 42.10 C ATOM 0 H ALA A 58 -3.301 -11.633 4.151 1.00 21.10 H new ATOM 0 HA ALA A 58 -5.630 -10.171 4.835 1.00 44.50 H new ATOM 0 HB1 ALA A 58 -4.700 -10.344 7.126 1.00 42.10 H new ATOM 0 HB2 ALA A 58 -4.620 -11.899 6.265 1.00 42.10 H new ATOM 0 HB3 ALA A 58 -3.154 -10.906 6.448 1.00 42.10 H new ATOM 946 N LYS A 59 -2.870 -8.471 4.589 1.00 11.20 N ATOM 947 CA LYS A 59 -2.314 -7.123 4.590 1.00 62.50 C ATOM 948 C LYS A 59 -3.013 -6.242 3.558 1.00 53.30 C ATOM 949 O LYS A 59 -3.221 -5.050 3.784 1.00 2.42 O ATOM 950 CB LYS A 59 -0.812 -7.168 4.305 1.00 22.20 C ATOM 951 CG LYS A 59 0.042 -7.270 5.558 1.00 34.10 C ATOM 952 CD LYS A 59 1.314 -6.448 5.435 1.00 54.10 C ATOM 953 CE LYS A 59 2.357 -6.876 6.455 1.00 23.40 C ATOM 954 NZ LYS A 59 3.056 -5.707 7.058 1.00 71.20 N ATOM 0 H LYS A 59 -2.245 -9.184 4.214 1.00 11.20 H new ATOM 0 HA LYS A 59 -2.477 -6.692 5.578 1.00 62.50 H new ATOM 0 HB2 LYS A 59 -0.598 -8.020 3.659 1.00 22.20 H new ATOM 0 HB3 LYS A 59 -0.528 -6.271 3.754 1.00 22.20 H new ATOM 0 HG2 LYS A 59 -0.532 -6.927 6.419 1.00 34.10 H new ATOM 0 HG3 LYS A 59 0.298 -8.314 5.741 1.00 34.10 H new ATOM 0 HD2 LYS A 59 1.722 -6.555 4.430 1.00 54.10 H new ATOM 0 HD3 LYS A 59 1.081 -5.392 5.573 1.00 54.10 H new ATOM 0 HE2 LYS A 59 1.878 -7.458 7.242 1.00 23.40 H new ATOM 0 HE3 LYS A 59 3.087 -7.528 5.976 1.00 23.40 H new ATOM 0 HZ1 LYS A 59 3.759 -6.041 7.748 1.00 71.20 H new ATOM 0 HZ2 LYS A 59 3.535 -5.165 6.310 1.00 71.20 H new ATOM 0 HZ3 LYS A 59 2.363 -5.097 7.537 1.00 71.20 H new ATOM 968 N CYS A 60 -3.371 -6.837 2.424 1.00 41.00 N ATOM 969 CA CYS A 60 -4.044 -6.106 1.356 1.00 34.30 C ATOM 970 C CYS A 60 -5.410 -5.604 1.813 1.00 51.50 C ATOM 971 O CYS A 60 -5.845 -4.519 1.429 1.00 12.10 O ATOM 972 CB CYS A 60 -4.199 -6.994 0.121 1.00 52.10 C ATOM 973 SG CYS A 60 -3.963 -6.127 -1.447 1.00 51.00 S ATOM 0 H CYS A 60 -3.206 -7.823 2.221 1.00 41.00 H new ATOM 0 HA CYS A 60 -3.430 -5.243 1.099 1.00 34.30 H new ATOM 0 HB2 CYS A 60 -3.481 -7.812 0.183 1.00 52.10 H new ATOM 0 HB3 CYS A 60 -5.193 -7.441 0.131 1.00 52.10 H new ATOM 0 HG CYS A 60 -4.833 -6.553 -2.314 1.00 51.00 H new ATOM 979 N VAL A 61 -6.084 -6.403 2.634 1.00 14.30 N ATOM 980 CA VAL A 61 -7.403 -6.041 3.140 1.00 31.40 C ATOM 981 C VAL A 61 -7.323 -4.856 4.097 1.00 42.50 C ATOM 982 O VAL A 61 -8.180 -3.973 4.080 1.00 13.20 O ATOM 983 CB VAL A 61 -8.071 -7.225 3.865 1.00 4.21 C ATOM 984 CG1 VAL A 61 -9.516 -6.896 4.208 1.00 60.20 C ATOM 985 CG2 VAL A 61 -7.990 -8.484 3.016 1.00 62.10 C ATOM 0 H VAL A 61 -5.739 -7.305 2.963 1.00 14.30 H new ATOM 0 HA VAL A 61 -8.006 -5.765 2.275 1.00 31.40 H new ATOM 0 HB VAL A 61 -7.534 -7.407 4.796 1.00 4.21 H new ATOM 0 HG11 VAL A 61 -9.971 -7.744 4.719 1.00 60.20 H new ATOM 0 HG12 VAL A 61 -9.546 -6.022 4.858 1.00 60.20 H new ATOM 0 HG13 VAL A 61 -10.069 -6.686 3.292 1.00 60.20 H new ATOM 0 HG21 VAL A 61 -8.467 -9.310 3.544 1.00 62.10 H new ATOM 0 HG22 VAL A 61 -8.500 -8.317 2.067 1.00 62.10 H new ATOM 0 HG23 VAL A 61 -6.945 -8.729 2.827 1.00 62.10 H new ATOM 995 N GLN A 62 -6.289 -4.844 4.933 1.00 12.10 N ATOM 996 CA GLN A 62 -6.100 -3.767 5.899 1.00 71.30 C ATOM 997 C GLN A 62 -5.596 -2.500 5.213 1.00 61.10 C ATOM 998 O GLN A 62 -5.903 -1.387 5.642 1.00 54.30 O ATOM 999 CB GLN A 62 -5.117 -4.200 6.990 1.00 64.20 C ATOM 1000 CG GLN A 62 -5.782 -4.502 8.323 1.00 3.25 C ATOM 1001 CD GLN A 62 -5.929 -5.989 8.578 1.00 15.00 C ATOM 1002 OE1 GLN A 62 -4.986 -6.653 9.007 1.00 5.12 O ATOM 1003 NE2 GLN A 62 -7.118 -6.520 8.314 1.00 30.20 N ATOM 0 H GLN A 62 -5.570 -5.567 4.961 1.00 12.10 H new ATOM 0 HA GLN A 62 -7.065 -3.548 6.356 1.00 71.30 H new ATOM 0 HB2 GLN A 62 -4.580 -5.086 6.652 1.00 64.20 H new ATOM 0 HB3 GLN A 62 -4.376 -3.413 7.133 1.00 64.20 H new ATOM 0 HG2 GLN A 62 -5.196 -4.056 9.126 1.00 3.25 H new ATOM 0 HG3 GLN A 62 -6.766 -4.034 8.348 1.00 3.25 H new ATOM 0 HE21 GLN A 62 -7.872 -5.932 7.959 1.00 30.20 H new ATOM 0 HE22 GLN A 62 -7.277 -7.516 8.466 1.00 30.20 H new ATOM 1012 N TYR A 63 -4.820 -2.676 4.149 1.00 2.52 N ATOM 1013 CA TYR A 63 -4.273 -1.545 3.407 1.00 52.40 C ATOM 1014 C TYR A 63 -5.367 -0.821 2.627 1.00 2.52 C ATOM 1015 O TYR A 63 -5.340 0.401 2.494 1.00 53.30 O ATOM 1016 CB TYR A 63 -3.178 -2.019 2.450 1.00 61.10 C ATOM 1017 CG TYR A 63 -1.832 -2.206 3.114 1.00 31.10 C ATOM 1018 CD1 TYR A 63 -1.246 -1.179 3.843 1.00 14.10 C ATOM 1019 CD2 TYR A 63 -1.147 -3.410 3.011 1.00 44.10 C ATOM 1020 CE1 TYR A 63 -0.016 -1.345 4.450 1.00 65.00 C ATOM 1021 CE2 TYR A 63 0.083 -3.586 3.617 1.00 30.30 C ATOM 1022 CZ TYR A 63 0.644 -2.551 4.334 1.00 44.30 C ATOM 1023 OH TYR A 63 1.868 -2.721 4.939 1.00 64.20 O ATOM 0 H TYR A 63 -4.556 -3.590 3.781 1.00 2.52 H new ATOM 0 HA TYR A 63 -3.843 -0.847 4.125 1.00 52.40 H new ATOM 0 HB2 TYR A 63 -3.485 -2.962 1.999 1.00 61.10 H new ATOM 0 HB3 TYR A 63 -3.077 -1.296 1.640 1.00 61.10 H new ATOM 0 HD1 TYR A 63 -1.761 -0.234 3.937 1.00 14.10 H new ATOM 0 HD2 TYR A 63 -1.583 -4.222 2.448 1.00 44.10 H new ATOM 0 HE1 TYR A 63 0.426 -0.536 5.012 1.00 65.00 H new ATOM 0 HE2 TYR A 63 0.602 -4.529 3.529 1.00 30.30 H new ATOM 0 HH TYR A 63 2.197 -3.627 4.762 1.00 64.20 H new ATOM 1033 N LEU A 64 -6.325 -1.586 2.113 1.00 10.50 N ATOM 1034 CA LEU A 64 -7.426 -1.016 1.344 1.00 22.20 C ATOM 1035 C LEU A 64 -8.382 -0.240 2.247 1.00 22.40 C ATOM 1036 O LEU A 64 -9.024 0.715 1.809 1.00 74.00 O ATOM 1037 CB LEU A 64 -8.186 -2.122 0.609 1.00 1.33 C ATOM 1038 CG LEU A 64 -7.561 -2.568 -0.713 1.00 74.20 C ATOM 1039 CD1 LEU A 64 -7.791 -4.054 -0.940 1.00 53.30 C ATOM 1040 CD2 LEU A 64 -8.128 -1.757 -1.870 1.00 74.10 C ATOM 0 H LEU A 64 -6.361 -2.600 2.215 1.00 10.50 H new ATOM 0 HA LEU A 64 -7.005 -0.324 0.615 1.00 22.20 H new ATOM 0 HB2 LEU A 64 -8.264 -2.988 1.267 1.00 1.33 H new ATOM 0 HB3 LEU A 64 -9.202 -1.777 0.415 1.00 1.33 H new ATOM 0 HG LEU A 64 -6.487 -2.392 -0.662 1.00 74.20 H new ATOM 0 HD11 LEU A 64 -7.339 -4.352 -1.886 1.00 53.30 H new ATOM 0 HD12 LEU A 64 -7.338 -4.621 -0.127 1.00 53.30 H new ATOM 0 HD13 LEU A 64 -8.862 -4.256 -0.970 1.00 53.30 H new ATOM 0 HD21 LEU A 64 -7.672 -2.087 -2.804 1.00 74.10 H new ATOM 0 HD22 LEU A 64 -9.207 -1.902 -1.922 1.00 74.10 H new ATOM 0 HD23 LEU A 64 -7.911 -0.700 -1.714 1.00 74.10 H new ATOM 1052 N ASP A 65 -8.473 -0.657 3.505 1.00 51.30 N ATOM 1053 CA ASP A 65 -9.353 -0.002 4.465 1.00 43.30 C ATOM 1054 C ASP A 65 -8.798 1.360 4.876 1.00 12.30 C ATOM 1055 O ASP A 65 -9.555 2.280 5.187 1.00 20.40 O ATOM 1056 CB ASP A 65 -9.542 -0.885 5.701 1.00 24.10 C ATOM 1057 CG ASP A 65 -10.910 -1.531 5.745 1.00 23.40 C ATOM 1058 OD1 ASP A 65 -11.090 -2.589 5.107 1.00 42.10 O ATOM 1059 OD2 ASP A 65 -11.800 -0.978 6.419 1.00 73.10 O ATOM 0 H ASP A 65 -7.948 -1.445 3.883 1.00 51.30 H new ATOM 0 HA ASP A 65 -10.320 0.152 3.986 1.00 43.30 H new ATOM 0 HB2 ASP A 65 -8.776 -1.661 5.710 1.00 24.10 H new ATOM 0 HB3 ASP A 65 -9.398 -0.284 6.599 1.00 24.10 H new ATOM 1064 N ARG A 66 -7.475 1.480 4.879 1.00 14.20 N ATOM 1065 CA ARG A 66 -6.821 2.729 5.254 1.00 52.10 C ATOM 1066 C ARG A 66 -6.890 3.744 4.118 1.00 44.20 C ATOM 1067 O ARG A 66 -7.149 4.927 4.344 1.00 43.30 O ATOM 1068 CB ARG A 66 -5.363 2.471 5.638 1.00 22.00 C ATOM 1069 CG ARG A 66 -5.152 2.270 7.130 1.00 72.40 C ATOM 1070 CD ARG A 66 -3.855 2.905 7.603 1.00 60.40 C ATOM 1071 NE ARG A 66 -4.093 4.086 8.431 1.00 41.30 N ATOM 1072 CZ ARG A 66 -3.161 4.661 9.188 1.00 13.40 C ATOM 1073 NH1 ARG A 66 -1.928 4.170 9.223 1.00 60.50 N ATOM 1074 NH2 ARG A 66 -3.462 5.731 9.911 1.00 24.30 N ATOM 0 H ARG A 66 -6.834 0.728 4.626 1.00 14.20 H new ATOM 0 HA ARG A 66 -7.348 3.141 6.115 1.00 52.10 H new ATOM 0 HB2 ARG A 66 -5.007 1.588 5.107 1.00 22.00 H new ATOM 0 HB3 ARG A 66 -4.754 3.311 5.303 1.00 22.00 H new ATOM 0 HG2 ARG A 66 -5.990 2.702 7.678 1.00 72.40 H new ATOM 0 HG3 ARG A 66 -5.139 1.204 7.356 1.00 72.40 H new ATOM 0 HD2 ARG A 66 -3.280 2.174 8.171 1.00 60.40 H new ATOM 0 HD3 ARG A 66 -3.252 3.184 6.739 1.00 60.40 H new ATOM 0 HE ARG A 66 -5.028 4.493 8.429 1.00 41.30 H new ATOM 0 HH11 ARG A 66 -1.690 3.348 8.668 1.00 60.50 H new ATOM 0 HH12 ARG A 66 -1.218 4.615 9.805 1.00 60.50 H new ATOM 0 HH21 ARG A 66 -4.407 6.113 9.887 1.00 24.30 H new ATOM 0 HH22 ARG A 66 -2.748 6.172 10.491 1.00 24.30 H new ATOM 1088 N ALA A 67 -6.654 3.276 2.897 1.00 61.20 N ATOM 1089 CA ALA A 67 -6.688 4.145 1.726 1.00 15.30 C ATOM 1090 C ALA A 67 -8.086 4.709 1.496 1.00 43.50 C ATOM 1091 O ALA A 67 -8.242 5.811 0.970 1.00 54.20 O ATOM 1092 CB ALA A 67 -6.214 3.385 0.495 1.00 44.20 C ATOM 0 H ALA A 67 -6.437 2.301 2.692 1.00 61.20 H new ATOM 0 HA ALA A 67 -6.015 4.983 1.907 1.00 15.30 H new ATOM 0 HB1 ALA A 67 -6.244 4.044 -0.373 1.00 44.20 H new ATOM 0 HB2 ALA A 67 -5.193 3.038 0.653 1.00 44.20 H new ATOM 0 HB3 ALA A 67 -6.866 2.528 0.323 1.00 44.20 H new ATOM 1098 N GLU A 68 -9.100 3.946 1.891 1.00 53.10 N ATOM 1099 CA GLU A 68 -10.480 4.370 1.726 1.00 32.10 C ATOM 1100 C GLU A 68 -10.810 5.536 2.653 1.00 22.40 C ATOM 1101 O GLU A 68 -11.550 6.446 2.280 1.00 11.00 O ATOM 1102 CB GLU A 68 -11.430 3.202 1.999 1.00 14.40 C ATOM 1103 CG GLU A 68 -11.760 2.384 0.761 1.00 70.20 C ATOM 1104 CD GLU A 68 -12.780 1.294 1.038 1.00 22.10 C ATOM 1105 OE1 GLU A 68 -12.380 0.225 1.544 1.00 22.40 O ATOM 1106 OE2 GLU A 68 -13.970 1.512 0.746 1.00 30.00 O ATOM 0 H GLU A 68 -8.989 3.031 2.328 1.00 53.10 H new ATOM 0 HA GLU A 68 -10.609 4.703 0.696 1.00 32.10 H new ATOM 0 HB2 GLU A 68 -10.983 2.548 2.748 1.00 14.40 H new ATOM 0 HB3 GLU A 68 -12.355 3.589 2.426 1.00 14.40 H new ATOM 0 HG2 GLU A 68 -12.142 3.046 -0.016 1.00 70.20 H new ATOM 0 HG3 GLU A 68 -10.847 1.932 0.374 1.00 70.20 H new ATOM 1113 N LYS A 69 -10.260 5.500 3.862 1.00 64.30 N ATOM 1114 CA LYS A 69 -10.500 6.552 4.842 1.00 1.01 C ATOM 1115 C LYS A 69 -9.759 7.830 4.470 1.00 3.41 C ATOM 1116 O LYS A 69 -10.200 8.934 4.789 1.00 53.50 O ATOM 1117 CB LYS A 69 -10.080 6.087 6.236 1.00 62.10 C ATOM 1118 CG LYS A 69 -10.910 6.690 7.358 1.00 62.40 C ATOM 1119 CD LYS A 69 -10.100 7.675 8.187 1.00 11.30 C ATOM 1120 CE LYS A 69 -9.516 7.016 9.426 1.00 72.20 C ATOM 1121 NZ LYS A 69 -8.060 7.294 9.568 1.00 2.43 N ATOM 0 H LYS A 69 -9.645 4.754 4.186 1.00 64.30 H new ATOM 0 HA LYS A 69 -11.568 6.768 4.847 1.00 1.01 H new ATOM 0 HB2 LYS A 69 -10.154 5.001 6.285 1.00 62.10 H new ATOM 0 HB3 LYS A 69 -9.032 6.342 6.394 1.00 62.10 H new ATOM 0 HG2 LYS A 69 -11.779 7.196 6.937 1.00 62.40 H new ATOM 0 HG3 LYS A 69 -11.285 5.894 8.002 1.00 62.40 H new ATOM 0 HD2 LYS A 69 -9.294 8.087 7.579 1.00 11.30 H new ATOM 0 HD3 LYS A 69 -10.735 8.510 8.483 1.00 11.30 H new ATOM 0 HE2 LYS A 69 -10.042 7.375 10.310 1.00 72.20 H new ATOM 0 HE3 LYS A 69 -9.677 5.939 9.375 1.00 72.20 H new ATOM 0 HZ1 LYS A 69 -7.699 6.827 10.425 1.00 2.43 H new ATOM 0 HZ2 LYS A 69 -7.554 6.929 8.736 1.00 2.43 H new ATOM 0 HZ3 LYS A 69 -7.908 8.320 9.643 1.00 2.43 H new ATOM 1135 N LEU A 70 -8.624 7.673 3.796 1.00 25.10 N ATOM 1136 CA LEU A 70 -7.817 8.816 3.382 1.00 14.30 C ATOM 1137 C LEU A 70 -8.542 9.641 2.324 1.00 34.30 C ATOM 1138 O LEU A 70 -8.476 10.871 2.330 1.00 73.10 O ATOM 1139 CB LEU A 70 -6.467 8.343 2.839 1.00 64.20 C ATOM 1140 CG LEU A 70 -5.553 7.673 3.867 1.00 33.40 C ATOM 1141 CD1 LEU A 70 -4.389 6.982 3.175 1.00 11.10 C ATOM 1142 CD2 LEU A 70 -5.047 8.695 4.874 1.00 11.10 C ATOM 0 H LEU A 70 -8.242 6.767 3.525 1.00 25.10 H new ATOM 0 HA LEU A 70 -7.650 9.446 4.256 1.00 14.30 H new ATOM 0 HB2 LEU A 70 -6.646 7.642 2.024 1.00 64.20 H new ATOM 0 HB3 LEU A 70 -5.944 9.199 2.414 1.00 64.20 H new ATOM 0 HG LEU A 70 -6.130 6.919 4.402 1.00 33.40 H new ATOM 0 HD11 LEU A 70 -3.750 6.511 3.922 1.00 11.10 H new ATOM 0 HD12 LEU A 70 -4.770 6.222 2.493 1.00 11.10 H new ATOM 0 HD13 LEU A 70 -3.811 7.717 2.614 1.00 11.10 H new ATOM 0 HD21 LEU A 70 -4.398 8.202 5.598 1.00 11.10 H new ATOM 0 HD22 LEU A 70 -4.486 9.471 4.354 1.00 11.10 H new ATOM 0 HD23 LEU A 70 -5.894 9.145 5.393 1.00 11.10 H new ATOM 1154 N LYS A 71 -9.230 8.958 1.415 1.00 44.50 N ATOM 1155 CA LYS A 71 -9.964 9.628 0.348 1.00 22.30 C ATOM 1156 C LYS A 71 -11.190 10.352 0.898 1.00 42.40 C ATOM 1157 O LYS A 71 -11.440 11.504 0.553 1.00 14.40 O ATOM 1158 CB LYS A 71 -10.390 8.617 -0.718 1.00 32.10 C ATOM 1159 CG LYS A 71 -10.330 9.165 -2.134 1.00 33.10 C ATOM 1160 CD LYS A 71 -11.330 8.471 -3.040 1.00 14.30 C ATOM 1161 CE LYS A 71 -10.960 8.628 -4.506 1.00 53.50 C ATOM 1162 NZ LYS A 71 -12.160 8.749 -5.375 1.00 4.45 N ATOM 0 H LYS A 71 -9.295 7.940 1.396 1.00 44.50 H new ATOM 0 HA LYS A 71 -9.302 10.367 -0.104 1.00 22.30 H new ATOM 0 HB2 LYS A 71 -9.749 7.738 -0.650 1.00 32.10 H new ATOM 0 HB3 LYS A 71 -11.407 8.287 -0.508 1.00 32.10 H new ATOM 0 HG2 LYS A 71 -10.532 10.236 -2.120 1.00 33.10 H new ATOM 0 HG3 LYS A 71 -9.324 9.035 -2.533 1.00 33.10 H new ATOM 0 HD2 LYS A 71 -11.377 7.412 -2.787 1.00 14.30 H new ATOM 0 HD3 LYS A 71 -12.324 8.884 -2.869 1.00 14.30 H new ATOM 0 HE2 LYS A 71 -10.333 9.511 -4.629 1.00 53.50 H new ATOM 0 HE3 LYS A 71 -10.368 7.770 -4.824 1.00 53.50 H new ATOM 0 HZ1 LYS A 71 -11.862 8.854 -6.366 1.00 4.45 H new ATOM 0 HZ2 LYS A 71 -12.746 7.895 -5.278 1.00 4.45 H new ATOM 0 HZ3 LYS A 71 -12.713 9.582 -5.089 1.00 4.45 H new ATOM 1176 N ASP A 72 -11.940 9.666 1.751 1.00 43.30 N ATOM 1177 CA ASP A 72 -13.140 10.244 2.345 1.00 21.20 C ATOM 1178 C ASP A 72 -12.810 11.510 3.131 1.00 63.50 C ATOM 1179 O ASP A 72 -13.640 12.411 3.255 1.00 30.50 O ATOM 1180 CB ASP A 72 -13.820 9.223 3.261 1.00 1.02 C ATOM 1181 CG ASP A 72 -15.120 8.705 2.680 1.00 1.40 C ATOM 1182 OD1 ASP A 72 -16.150 9.396 2.824 1.00 31.50 O ATOM 1183 OD2 ASP A 72 -15.110 7.609 2.082 1.00 15.10 O ATOM 0 H ASP A 72 -11.740 8.711 2.047 1.00 43.30 H new ATOM 0 HA ASP A 72 -13.821 10.512 1.537 1.00 21.20 H new ATOM 0 HB2 ASP A 72 -13.143 8.386 3.434 1.00 1.02 H new ATOM 0 HB3 ASP A 72 -14.015 9.681 4.231 1.00 1.02 H new ATOM 1188 N TYR A 73 -11.590 11.574 3.660 1.00 72.40 N ATOM 1189 CA TYR A 73 -11.150 12.730 4.433 1.00 70.50 C ATOM 1190 C TYR A 73 -10.810 13.904 3.522 1.00 62.30 C ATOM 1191 O TYR A 73 -11.280 15.024 3.738 1.00 44.10 O ATOM 1192 CB TYR A 73 -9.939 12.367 5.288 1.00 42.20 C ATOM 1193 CG TYR A 73 -9.459 13.498 6.170 1.00 70.10 C ATOM 1194 CD1 TYR A 73 -8.655 14.509 5.658 1.00 14.40 C ATOM 1195 CD2 TYR A 73 -9.808 13.553 7.513 1.00 34.40 C ATOM 1196 CE1 TYR A 73 -8.214 15.544 6.461 1.00 25.40 C ATOM 1197 CE2 TYR A 73 -9.371 14.585 8.322 1.00 63.20 C ATOM 1198 CZ TYR A 73 -8.575 15.577 7.791 1.00 71.50 C ATOM 1199 OH TYR A 73 -8.138 16.607 8.594 1.00 3.52 O ATOM 0 H TYR A 73 -10.890 10.838 3.567 1.00 72.40 H new ATOM 0 HA TYR A 73 -11.971 13.029 5.085 1.00 70.50 H new ATOM 0 HB2 TYR A 73 -10.190 11.511 5.914 1.00 42.20 H new ATOM 0 HB3 TYR A 73 -9.124 12.056 4.635 1.00 42.20 H new ATOM 0 HD1 TYR A 73 -8.370 14.486 4.616 1.00 14.40 H new ATOM 0 HD2 TYR A 73 -10.431 12.777 7.932 1.00 34.40 H new ATOM 0 HE1 TYR A 73 -7.590 16.323 6.049 1.00 25.40 H new ATOM 0 HE2 TYR A 73 -9.652 14.614 9.364 1.00 63.20 H new ATOM 0 HH TYR A 73 -8.482 16.482 9.503 1.00 3.52 H new ATOM 1209 N LEU A 74 -10.000 13.644 2.503 1.00 33.20 N ATOM 1210 CA LEU A 74 -9.602 14.682 1.561 1.00 35.40 C ATOM 1211 C LEU A 74 -10.760 15.081 0.657 1.00 42.50 C ATOM 1212 O LEU A 74 -10.870 16.237 0.247 1.00 22.40 O ATOM 1213 CB LEU A 74 -8.422 14.203 0.712 1.00 20.30 C ATOM 1214 CG LEU A 74 -8.671 12.921 -0.082 1.00 52.00 C ATOM 1215 CD1 LEU A 74 -9.279 13.243 -1.438 1.00 50.10 C ATOM 1216 CD2 LEU A 74 -7.378 12.138 -0.248 1.00 34.30 C ATOM 0 H LEU A 74 -9.606 12.724 2.308 1.00 33.20 H new ATOM 0 HA LEU A 74 -9.301 15.557 2.137 1.00 35.40 H new ATOM 0 HB2 LEU A 74 -8.150 14.996 0.015 1.00 20.30 H new ATOM 0 HB3 LEU A 74 -7.564 14.046 1.366 1.00 20.30 H new ATOM 0 HG LEU A 74 -9.378 12.304 0.473 1.00 52.00 H new ATOM 0 HD11 LEU A 74 -9.449 12.318 -1.989 1.00 50.10 H new ATOM 0 HD12 LEU A 74 -10.227 13.762 -1.298 1.00 50.10 H new ATOM 0 HD13 LEU A 74 -8.597 13.880 -2.001 1.00 50.10 H new ATOM 0 HD21 LEU A 74 -7.574 11.228 -0.816 1.00 34.30 H new ATOM 0 HD22 LEU A 74 -6.649 12.748 -0.781 1.00 34.30 H new ATOM 0 HD23 LEU A 74 -6.983 11.875 0.733 1.00 34.30 H new ATOM 1228 N ARG A 75 -11.630 14.120 0.350 1.00 75.50 N ATOM 1229 CA ARG A 75 -12.780 14.377 -0.506 1.00 50.40 C ATOM 1230 C ARG A 75 -13.840 15.184 0.236 1.00 11.30 C ATOM 1231 O ARG A 75 -14.500 16.041 -0.347 1.00 4.40 O ATOM 1232 CB ARG A 75 -13.380 13.059 -1.000 1.00 55.20 C ATOM 1233 CG ARG A 75 -12.620 12.448 -2.170 1.00 13.00 C ATOM 1234 CD ARG A 75 -13.560 11.722 -3.123 1.00 34.40 C ATOM 1235 NE ARG A 75 -13.430 12.212 -4.494 1.00 35.30 N ATOM 1236 CZ ARG A 75 -14.010 13.326 -4.941 1.00 61.40 C ATOM 1237 NH1 ARG A 75 -14.750 14.069 -4.130 1.00 5.45 N ATOM 1238 NH2 ARG A 75 -13.840 13.699 -6.202 1.00 65.20 N ATOM 0 H ARG A 75 -11.558 13.158 0.682 1.00 75.50 H new ATOM 0 HA ARG A 75 -12.440 14.958 -1.364 1.00 50.40 H new ATOM 0 HB2 ARG A 75 -13.398 12.346 -0.176 1.00 55.20 H new ATOM 0 HB3 ARG A 75 -14.415 13.229 -1.298 1.00 55.20 H new ATOM 0 HG2 ARG A 75 -12.087 13.231 -2.709 1.00 13.00 H new ATOM 0 HG3 ARG A 75 -11.870 11.752 -1.795 1.00 13.00 H new ATOM 0 HD2 ARG A 75 -13.348 10.653 -3.098 1.00 34.40 H new ATOM 0 HD3 ARG A 75 -14.589 11.851 -2.787 1.00 34.40 H new ATOM 0 HE ARG A 75 -12.863 11.670 -5.146 1.00 35.30 H new ATOM 0 HH11 ARG A 75 -14.878 13.790 -3.157 1.00 5.45 H new ATOM 0 HH12 ARG A 75 -15.191 14.920 -4.479 1.00 5.45 H new ATOM 0 HH21 ARG A 75 -13.266 13.134 -6.828 1.00 65.20 H new ATOM 0 HH22 ARG A 75 -14.283 14.551 -6.546 1.00 65.20 H new ATOM 1252 N SER A 76 -13.990 14.905 1.526 1.00 10.20 N ATOM 1253 CA SER A 76 -14.970 15.604 2.349 1.00 43.00 C ATOM 1254 C SER A 76 -14.590 17.071 2.523 1.00 2.52 C ATOM 1255 O SER A 76 -15.450 17.939 2.641 1.00 0.53 O ATOM 1256 CB SER A 76 -15.090 14.932 3.718 1.00 63.50 C ATOM 1257 OG SER A 76 -16.090 13.927 3.706 1.00 30.40 O ATOM 0 H SER A 76 -13.446 14.200 2.024 1.00 10.20 H new ATOM 0 HA SER A 76 -15.933 15.555 1.841 1.00 43.00 H new ATOM 0 HB2 SER A 76 -14.132 14.493 3.997 1.00 63.50 H new ATOM 0 HB3 SER A 76 -15.330 15.680 4.474 1.00 63.50 H new ATOM 0 HG SER A 76 -15.674 13.053 3.553 1.00 30.40 H new