USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 THR OG1 : rot 126:sc= -0.351 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.114 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.742 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -177:sc= 0.319 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.133 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ 131:sc= 1.29 (180deg=0.986) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.121!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.3 (180deg=0.738) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.231) USER MOD Single : A 31 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.786) USER MOD Single : A 40 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= -0.601 K(o=-0.6,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.03 K(o=1,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 150:sc= 1 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.193) USER MOD Single : A 65 SER OG : rot 115:sc= 1.11 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.562 5.316 -1.844 1.00 9.67 N ATOM 2 CA MET A 1 -12.928 5.843 -0.615 1.00 10.38 C ATOM 3 C MET A 1 -11.507 6.245 -0.805 1.00 9.62 C ATOM 4 O MET A 1 -10.807 5.921 -1.764 1.00 9.62 O ATOM 5 CB MET A 1 -12.854 4.750 0.466 1.00 13.77 C ATOM 6 CG MET A 1 -11.897 3.583 0.219 1.00 16.29 C ATOM 7 SD MET A 1 -12.102 2.247 1.435 1.00 17.17 S ATOM 8 CE MET A 1 -10.482 1.450 1.235 1.00 16.11 C ATOM 0 H1 MET A 1 -14.043 4.419 -1.629 1.00 9.67 H new ATOM 0 H2 MET A 1 -14.256 6.004 -2.199 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.833 5.154 -2.568 1.00 9.67 H new ATOM 0 HA MET A 1 -13.545 6.699 -0.340 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.572 5.224 1.406 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.856 4.342 0.602 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.063 3.187 -0.783 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.870 3.946 0.252 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.595 0.369 1.323 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.075 1.694 0.254 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.803 1.808 2.009 1.00 16.11 H new ATOM 20 N GLN A 2 -10.957 7.042 0.128 1.00 9.27 N ATOM 21 CA GLN A 2 -9.597 7.476 0.048 1.00 9.07 C ATOM 22 C GLN A 2 -8.844 6.688 1.064 1.00 8.72 C ATOM 23 O GLN A 2 -9.396 6.319 2.099 1.00 8.22 O ATOM 24 CB GLN A 2 -9.439 8.983 0.314 1.00 14.46 C ATOM 25 CG GLN A 2 -10.288 9.812 -0.651 1.00 17.01 C ATOM 26 CD GLN A 2 -9.891 11.273 -0.497 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.262 11.863 -1.374 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.407 11.939 0.570 1.00 19.49 N ATOM 0 H GLN A 2 -11.460 7.389 0.945 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.217 7.313 -0.961 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.730 9.205 1.340 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.391 9.264 0.212 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.130 9.481 -1.677 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.348 9.681 -0.434 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.926 11.431 1.286 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.276 12.947 0.654 1.00 19.49 H new ATOM 37 N ILE A 3 -7.564 6.427 0.745 1.00 5.87 N ATOM 38 CA ILE A 3 -6.682 5.818 1.691 1.00 5.07 C ATOM 39 C ILE A 3 -5.470 6.684 1.674 1.00 4.01 C ATOM 40 O ILE A 3 -5.176 7.358 0.688 1.00 4.61 O ATOM 41 CB ILE A 3 -6.295 4.386 1.470 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.666 4.067 0.103 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.444 3.417 1.797 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.150 2.639 -0.070 1.00 10.83 C ATOM 0 H ILE A 3 -7.142 6.636 -0.160 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.209 5.757 2.643 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.488 4.227 2.186 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.407 4.263 -0.672 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.838 4.756 -0.066 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.117 2.392 1.622 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.731 3.533 2.842 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.300 3.639 1.159 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.728 2.523 -1.068 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.381 2.437 0.675 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.973 1.936 0.059 1.00 10.83 H new ATOM 56 N PHE A 4 -4.765 6.657 2.820 1.00 4.55 N ATOM 57 CA PHE A 4 -3.504 7.323 2.923 1.00 4.68 C ATOM 58 C PHE A 4 -2.390 6.336 2.995 1.00 5.30 C ATOM 59 O PHE A 4 -2.285 5.664 4.019 1.00 5.58 O ATOM 60 CB PHE A 4 -3.484 8.226 4.168 1.00 4.83 C ATOM 61 CG PHE A 4 -4.666 9.133 4.173 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.919 9.983 3.122 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.560 9.008 5.210 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.096 10.692 3.076 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.745 9.701 5.131 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.055 10.474 4.037 1.00 8.90 C ATOM 0 H PHE A 4 -5.065 6.178 3.669 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.366 7.936 2.032 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.485 7.613 5.069 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.567 8.814 4.183 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.192 10.094 2.331 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.338 8.383 6.062 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.266 11.414 2.291 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.449 9.637 5.948 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.040 10.905 3.934 1.00 8.90 H new ATOM 76 N VAL A 5 -1.518 6.286 1.972 1.00 4.44 N ATOM 77 CA VAL A 5 -0.303 5.532 1.994 1.00 3.87 C ATOM 78 C VAL A 5 0.804 6.441 2.402 1.00 4.93 C ATOM 79 O VAL A 5 1.196 7.307 1.621 1.00 6.84 O ATOM 80 CB VAL A 5 -0.102 4.895 0.651 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.224 4.120 0.591 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.285 3.955 0.361 1.00 9.13 C ATOM 0 H VAL A 5 -1.665 6.789 1.097 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.335 4.719 2.720 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.056 5.678 -0.106 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.339 3.671 -0.396 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.053 4.803 0.777 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.222 3.336 1.348 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.147 3.487 -0.614 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.334 3.184 1.130 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.213 4.527 0.361 1.00 9.13 H new ATOM 92 N LYS A 6 1.376 6.258 3.606 1.00 6.04 N ATOM 93 CA LYS A 6 2.391 7.132 4.107 1.00 6.12 C ATOM 94 C LYS A 6 3.761 6.558 3.998 1.00 6.57 C ATOM 95 O LYS A 6 4.005 5.379 4.251 1.00 5.76 O ATOM 96 CB LYS A 6 2.139 7.425 5.596 1.00 7.45 C ATOM 97 CG LYS A 6 0.901 8.324 5.628 1.00 11.12 C ATOM 98 CD LYS A 6 0.765 8.941 7.021 1.00 14.54 C ATOM 99 CE LYS A 6 -0.541 9.678 7.327 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.358 11.073 6.869 1.00 20.55 N ATOM 0 H LYS A 6 1.132 5.496 4.238 1.00 6.04 H new ATOM 0 HA LYS A 6 2.339 8.034 3.498 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.971 6.504 6.155 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.997 7.921 6.050 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.987 9.109 4.876 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.010 7.745 5.385 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.887 8.147 7.757 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.590 9.639 7.165 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.380 9.209 6.813 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.763 9.647 8.394 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.205 11.629 7.103 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.470 11.488 7.342 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.210 11.084 5.840 1.00 20.55 H new ATOM 114 N THR A 7 4.655 7.513 3.683 1.00 7.41 N ATOM 115 CA THR A 7 6.062 7.273 3.603 1.00 7.48 C ATOM 116 C THR A 7 6.796 7.422 4.891 1.00 8.75 C ATOM 117 O THR A 7 6.244 7.508 5.987 1.00 8.58 O ATOM 118 CB THR A 7 6.688 8.007 2.454 1.00 9.61 C ATOM 119 OG1 THR A 7 6.926 9.376 2.746 1.00 11.78 O ATOM 120 CG2 THR A 7 5.775 7.838 1.228 1.00 9.17 C ATOM 0 H THR A 7 4.392 8.477 3.479 1.00 7.41 H new ATOM 0 HA THR A 7 6.166 6.210 3.386 1.00 7.48 H new ATOM 0 HB THR A 7 7.671 7.582 2.251 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.335 9.810 1.969 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.208 8.363 0.377 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.678 6.779 0.990 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.791 8.252 1.447 1.00 9.17 H new ATOM 128 N LEU A 8 8.098 7.090 4.852 1.00 9.84 N ATOM 129 CA LEU A 8 9.078 7.360 5.858 1.00 14.15 C ATOM 130 C LEU A 8 9.408 8.801 6.046 1.00 17.37 C ATOM 131 O LEU A 8 9.455 9.211 7.204 1.00 17.01 O ATOM 132 CB LEU A 8 10.398 6.593 5.675 1.00 16.63 C ATOM 133 CG LEU A 8 11.371 6.675 6.864 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.105 5.934 8.185 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.720 6.184 6.313 1.00 19.31 C ATOM 0 H LEU A 8 8.496 6.594 4.054 1.00 9.84 H new ATOM 0 HA LEU A 8 8.571 7.001 6.753 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.168 5.545 5.486 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.901 6.974 4.787 1.00 16.63 H new ATOM 0 HG LEU A 8 11.284 7.710 7.194 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.918 6.132 8.883 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.166 6.282 8.614 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.042 4.863 7.995 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.469 6.213 7.105 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.615 5.161 5.951 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.034 6.829 5.492 1.00 19.31 H new ATOM 147 N THR A 9 9.712 9.581 4.992 1.00 18.33 N ATOM 148 CA THR A 9 9.971 10.981 5.123 1.00 19.24 C ATOM 149 C THR A 9 8.745 11.756 5.464 1.00 19.48 C ATOM 150 O THR A 9 8.842 12.714 6.229 1.00 23.14 O ATOM 151 CB THR A 9 10.671 11.596 3.947 1.00 18.97 C ATOM 152 OG1 THR A 9 9.954 11.365 2.743 1.00 20.24 O ATOM 153 CG2 THR A 9 12.051 10.935 3.790 1.00 19.70 C ATOM 0 H THR A 9 9.779 9.234 4.035 1.00 18.33 H new ATOM 0 HA THR A 9 10.667 11.045 5.960 1.00 19.24 H new ATOM 0 HB THR A 9 10.750 12.668 4.125 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.432 11.778 1.993 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.570 11.374 2.938 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.637 11.097 4.695 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.925 9.865 3.626 1.00 19.70 H new ATOM 161 N GLY A 10 7.591 11.542 4.807 1.00 19.43 N ATOM 162 CA GLY A 10 6.395 12.195 5.239 1.00 18.74 C ATOM 163 C GLY A 10 5.789 12.894 4.071 1.00 17.62 C ATOM 164 O GLY A 10 5.412 14.060 4.171 1.00 19.74 O ATOM 0 H GLY A 10 7.486 10.932 3.996 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.694 11.468 5.651 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.618 12.908 6.033 1.00 18.74 H new ATOM 168 N LYS A 11 5.574 12.103 3.004 1.00 13.56 N ATOM 169 CA LYS A 11 4.654 12.372 1.943 1.00 11.91 C ATOM 170 C LYS A 11 3.476 11.460 1.979 1.00 10.18 C ATOM 171 O LYS A 11 3.679 10.246 1.962 1.00 9.10 O ATOM 172 CB LYS A 11 5.485 12.344 0.649 1.00 13.43 C ATOM 173 CG LYS A 11 4.785 12.932 -0.578 1.00 16.69 C ATOM 174 CD LYS A 11 5.541 12.685 -1.885 1.00 17.92 C ATOM 175 CE LYS A 11 4.839 13.119 -3.173 1.00 20.81 C ATOM 176 NZ LYS A 11 5.631 12.899 -4.403 1.00 21.93 N ATOM 0 H LYS A 11 6.073 11.223 2.875 1.00 13.56 H new ATOM 0 HA LYS A 11 4.184 13.351 2.033 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.412 12.892 0.818 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.760 11.312 0.433 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.786 12.503 -0.658 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.660 14.006 -0.436 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.499 13.202 -1.828 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.758 11.619 -1.957 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.897 12.577 -3.260 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.592 14.178 -3.099 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.995 12.873 -5.225 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.315 13.674 -4.519 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.141 11.995 -4.331 1.00 21.93 H new ATOM 190 N THR A 12 2.224 11.937 1.864 1.00 9.63 N ATOM 191 CA THR A 12 1.053 11.115 1.857 1.00 9.85 C ATOM 192 C THR A 12 0.556 10.870 0.474 1.00 11.66 C ATOM 193 O THR A 12 0.200 11.790 -0.260 1.00 12.33 O ATOM 194 CB THR A 12 -0.089 11.717 2.621 1.00 10.85 C ATOM 195 OG1 THR A 12 0.153 11.988 3.993 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.381 10.884 2.646 1.00 9.63 C ATOM 0 H THR A 12 2.019 12.932 1.772 1.00 9.63 H new ATOM 0 HA THR A 12 1.369 10.186 2.331 1.00 9.85 H new ATOM 0 HB THR A 12 -0.201 12.635 2.043 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.650 12.378 4.396 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.141 11.409 3.224 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.738 10.735 1.627 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.181 9.916 3.105 1.00 9.63 H new ATOM 204 N ILE A 13 0.672 9.590 0.077 1.00 10.42 N ATOM 205 CA ILE A 13 0.171 9.167 -1.194 1.00 11.84 C ATOM 206 C ILE A 13 -1.259 8.857 -0.912 1.00 10.55 C ATOM 207 O ILE A 13 -1.601 7.837 -0.316 1.00 11.92 O ATOM 208 CB ILE A 13 0.924 8.064 -1.875 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.413 8.438 -1.962 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.304 7.625 -3.212 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.341 7.229 -1.857 1.00 16.46 C ATOM 0 H ILE A 13 1.109 8.853 0.631 1.00 10.42 H new ATOM 0 HA ILE A 13 0.300 9.947 -1.945 1.00 11.84 H new ATOM 0 HB ILE A 13 0.843 7.165 -1.264 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.598 8.950 -2.906 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.652 9.142 -1.165 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.903 6.824 -3.645 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.711 7.267 -3.042 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.280 8.472 -3.898 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.378 7.559 -1.925 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.181 6.730 -0.901 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.127 6.534 -2.669 1.00 16.46 H new ATOM 223 N THR A 14 -2.150 9.719 -1.435 1.00 9.39 N ATOM 224 CA THR A 14 -3.559 9.661 -1.202 1.00 9.63 C ATOM 225 C THR A 14 -4.182 9.100 -2.434 1.00 11.20 C ATOM 226 O THR A 14 -4.350 9.796 -3.434 1.00 11.63 O ATOM 227 CB THR A 14 -4.208 11.000 -1.014 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.829 11.708 0.157 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.707 10.785 -0.745 1.00 11.66 C ATOM 0 H THR A 14 -1.876 10.489 -2.046 1.00 9.39 H new ATOM 0 HA THR A 14 -3.701 9.076 -0.293 1.00 9.63 H new ATOM 0 HB THR A 14 -3.925 11.549 -1.912 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.302 12.565 0.188 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.194 11.750 -0.606 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.159 10.270 -1.593 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.832 10.182 0.155 1.00 11.66 H new ATOM 237 N LEU A 15 -4.515 7.798 -2.372 1.00 8.29 N ATOM 238 CA LEU A 15 -5.245 7.184 -3.437 1.00 9.03 C ATOM 239 C LEU A 15 -6.715 7.066 -3.229 1.00 8.59 C ATOM 240 O LEU A 15 -7.202 6.507 -2.247 1.00 7.79 O ATOM 241 CB LEU A 15 -4.780 5.747 -3.732 1.00 11.08 C ATOM 242 CG LEU A 15 -3.268 5.559 -3.936 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.938 4.058 -3.984 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.869 6.345 -5.196 1.00 15.88 C ATOM 0 H LEU A 15 -4.283 7.178 -1.596 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.039 7.874 -4.256 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.098 5.107 -2.909 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.294 5.396 -4.627 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.680 5.954 -3.108 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.866 3.926 -4.129 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.238 3.589 -3.047 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.476 3.594 -4.811 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.799 6.233 -5.371 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.419 5.960 -6.055 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.106 7.400 -5.057 1.00 15.88 H new ATOM 256 N GLU A 16 -7.479 7.480 -4.256 1.00 11.04 N ATOM 257 CA GLU A 16 -8.848 7.117 -4.449 1.00 11.50 C ATOM 258 C GLU A 16 -8.834 5.714 -4.951 1.00 10.13 C ATOM 259 O GLU A 16 -8.267 5.346 -5.978 1.00 9.83 O ATOM 260 CB GLU A 16 -9.572 8.095 -5.390 1.00 17.22 C ATOM 261 CG GLU A 16 -9.976 9.379 -4.663 1.00 23.33 C ATOM 262 CD GLU A 16 -10.336 10.550 -5.566 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.414 10.595 -6.218 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.584 11.560 -5.584 1.00 28.90 O ATOM 0 H GLU A 16 -7.124 8.097 -4.986 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.415 7.176 -3.520 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.923 8.341 -6.230 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.459 7.615 -5.802 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.829 9.161 -4.021 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.156 9.682 -4.012 1.00 23.33 H new ATOM 271 N VAL A 17 -9.566 4.863 -4.210 1.00 8.99 N ATOM 272 CA VAL A 17 -9.746 3.462 -4.437 1.00 8.85 C ATOM 273 C VAL A 17 -11.162 3.196 -4.056 1.00 8.04 C ATOM 274 O VAL A 17 -11.786 4.045 -3.421 1.00 8.99 O ATOM 275 CB VAL A 17 -8.804 2.573 -3.682 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.370 2.684 -4.227 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.735 2.788 -2.160 1.00 10.54 C ATOM 0 H VAL A 17 -10.073 5.183 -3.385 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.524 3.226 -5.478 1.00 8.85 H new ATOM 0 HB VAL A 17 -9.233 1.584 -3.843 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.713 2.027 -3.658 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.356 2.391 -5.277 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.024 3.713 -4.133 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.021 2.088 -1.726 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.415 3.809 -1.951 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.720 2.620 -1.724 1.00 10.54 H new ATOM 287 N GLU A 18 -11.668 1.993 -4.379 1.00 7.29 N ATOM 288 CA GLU A 18 -12.756 1.370 -3.691 1.00 7.08 C ATOM 289 C GLU A 18 -12.312 0.265 -2.796 1.00 6.45 C ATOM 290 O GLU A 18 -11.319 -0.404 -3.079 1.00 5.28 O ATOM 291 CB GLU A 18 -13.754 0.813 -4.721 1.00 10.28 C ATOM 292 CG GLU A 18 -14.338 1.983 -5.516 1.00 12.65 C ATOM 293 CD GLU A 18 -15.269 2.789 -4.622 1.00 14.15 C ATOM 294 OE1 GLU A 18 -16.325 2.316 -4.124 1.00 18.17 O ATOM 295 OE2 GLU A 18 -14.883 3.956 -4.343 1.00 14.33 O ATOM 0 H GLU A 18 -11.305 1.432 -5.150 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.223 2.131 -3.065 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -13.255 0.112 -5.390 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -14.549 0.263 -4.218 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.536 2.619 -5.891 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -14.882 1.611 -6.384 1.00 12.65 H new ATOM 302 N PRO A 19 -12.999 -0.051 -1.738 1.00 7.24 N ATOM 303 CA PRO A 19 -12.696 -1.074 -0.780 1.00 7.07 C ATOM 304 C PRO A 19 -12.718 -2.446 -1.362 1.00 6.65 C ATOM 305 O PRO A 19 -12.188 -3.388 -0.775 1.00 6.37 O ATOM 306 CB PRO A 19 -13.645 -0.960 0.411 1.00 7.61 C ATOM 307 CG PRO A 19 -14.793 -0.058 -0.071 1.00 8.16 C ATOM 308 CD PRO A 19 -14.184 0.661 -1.285 1.00 7.49 C ATOM 0 HA PRO A 19 -11.672 -0.914 -0.443 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.015 -1.939 0.714 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.141 -0.528 1.276 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.674 -0.638 -0.346 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.104 0.646 0.701 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.916 0.717 -2.091 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.924 1.686 -1.019 1.00 7.49 H new ATOM 316 N SER A 20 -13.204 -2.589 -2.608 1.00 6.80 N ATOM 317 CA SER A 20 -13.036 -3.857 -3.247 1.00 6.28 C ATOM 318 C SER A 20 -11.796 -4.011 -4.058 1.00 8.45 C ATOM 319 O SER A 20 -11.522 -5.072 -4.616 1.00 7.26 O ATOM 320 CB SER A 20 -14.303 -4.216 -4.042 1.00 8.57 C ATOM 321 OG SER A 20 -15.457 -4.210 -3.215 1.00 11.13 O ATOM 0 H SER A 20 -13.687 -1.872 -3.149 1.00 6.80 H new ATOM 0 HA SER A 20 -12.893 -4.578 -2.442 1.00 6.28 H new ATOM 0 HB2 SER A 20 -14.435 -3.505 -4.858 1.00 8.57 H new ATOM 0 HB3 SER A 20 -14.183 -5.201 -4.494 1.00 8.57 H new ATOM 0 HG SER A 20 -16.245 -4.440 -3.751 1.00 11.13 H new ATOM 327 N ASP A 21 -11.036 -2.918 -4.251 1.00 7.50 N ATOM 328 CA ASP A 21 -9.767 -2.995 -4.907 1.00 7.70 C ATOM 329 C ASP A 21 -8.726 -3.738 -4.144 1.00 7.08 C ATOM 330 O ASP A 21 -8.796 -3.965 -2.937 1.00 8.11 O ATOM 331 CB ASP A 21 -9.293 -1.620 -5.406 1.00 11.00 C ATOM 332 CG ASP A 21 -10.245 -0.994 -6.416 1.00 15.32 C ATOM 333 OD1 ASP A 21 -10.561 -1.631 -7.456 1.00 14.36 O ATOM 334 OD2 ASP A 21 -10.550 0.224 -6.306 1.00 18.03 O ATOM 0 H ASP A 21 -11.301 -1.979 -3.952 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.932 -3.610 -5.792 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.183 -0.949 -4.554 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -8.307 -1.724 -5.860 1.00 11.00 H new ATOM 339 N THR A 22 -7.691 -4.193 -4.873 1.00 5.37 N ATOM 340 CA THR A 22 -6.638 -4.971 -4.299 1.00 6.01 C ATOM 341 C THR A 22 -5.533 -4.160 -3.716 1.00 8.01 C ATOM 342 O THR A 22 -5.384 -2.994 -4.077 1.00 8.11 O ATOM 343 CB THR A 22 -6.092 -6.124 -5.089 1.00 8.92 C ATOM 344 OG1 THR A 22 -5.476 -5.668 -6.285 1.00 10.22 O ATOM 345 CG2 THR A 22 -7.257 -7.034 -5.512 1.00 9.65 C ATOM 0 H THR A 22 -7.584 -4.019 -5.872 1.00 5.37 H new ATOM 0 HA THR A 22 -7.192 -5.452 -3.493 1.00 6.01 H new ATOM 0 HB THR A 22 -5.367 -6.648 -4.467 1.00 8.92 H new ATOM 0 HG1 THR A 22 -5.268 -6.435 -6.859 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.871 -7.876 -6.087 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.769 -7.405 -4.624 1.00 9.65 H new ATOM 0 HG23 THR A 22 -7.958 -6.467 -6.125 1.00 9.65 H new ATOM 353 N ILE A 23 -4.589 -4.736 -2.950 1.00 8.32 N ATOM 354 CA ILE A 23 -3.282 -4.216 -2.693 1.00 9.92 C ATOM 355 C ILE A 23 -2.418 -4.030 -3.893 1.00 10.01 C ATOM 356 O ILE A 23 -1.751 -3.007 -4.033 1.00 8.71 O ATOM 357 CB ILE A 23 -2.600 -5.119 -1.709 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.531 -5.381 -0.513 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.288 -4.435 -1.288 1.00 10.90 C ATOM 360 CD1 ILE A 23 -4.085 -4.173 0.239 1.00 12.30 C ATOM 0 H ILE A 23 -4.751 -5.626 -2.479 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.426 -3.210 -2.300 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.370 -6.090 -2.147 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.376 -5.969 -0.870 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.990 -6.001 0.202 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.763 -5.065 -0.570 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.659 -4.283 -2.165 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.511 -3.471 -0.830 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.723 -4.513 1.054 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.260 -3.587 0.644 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.668 -3.555 -0.444 1.00 12.30 H new ATOM 372 N GLU A 24 -2.520 -4.941 -4.878 1.00 9.54 N ATOM 373 CA GLU A 24 -1.898 -4.839 -6.161 1.00 11.81 C ATOM 374 C GLU A 24 -2.259 -3.615 -6.930 1.00 11.14 C ATOM 375 O GLU A 24 -1.534 -2.988 -7.702 1.00 10.62 O ATOM 376 CB GLU A 24 -2.038 -6.130 -6.985 1.00 19.24 C ATOM 377 CG GLU A 24 -1.117 -6.345 -8.188 1.00 27.76 C ATOM 378 CD GLU A 24 -1.471 -7.609 -8.959 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.665 -7.826 -9.301 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.533 -8.425 -9.162 1.00 36.51 O ATOM 0 H GLU A 24 -3.067 -5.795 -4.772 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.836 -4.716 -5.948 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.895 -6.971 -6.306 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -3.066 -6.182 -7.344 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.183 -5.484 -8.853 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.084 -6.406 -7.847 1.00 27.76 H new ATOM 387 N ASN A 25 -3.494 -3.095 -6.811 1.00 9.43 N ATOM 388 CA ASN A 25 -3.925 -1.920 -7.502 1.00 10.96 C ATOM 389 C ASN A 25 -3.439 -0.687 -6.821 1.00 9.68 C ATOM 390 O ASN A 25 -3.048 0.274 -7.481 1.00 9.33 O ATOM 391 CB ASN A 25 -5.457 -1.890 -7.629 1.00 16.78 C ATOM 392 CG ASN A 25 -5.940 -0.772 -8.542 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.676 0.132 -8.150 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.525 -0.772 -9.837 1.00 24.70 N ATOM 0 H ASN A 25 -4.214 -3.505 -6.216 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.495 -1.949 -8.503 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.806 -2.848 -8.015 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.899 -1.765 -6.640 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.824 -0.029 -10.468 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.914 -1.515 -10.177 1.00 24.70 H new ATOM 401 N VAL A 26 -3.162 -0.820 -5.512 1.00 6.52 N ATOM 402 CA VAL A 26 -2.463 0.203 -4.797 1.00 5.53 C ATOM 403 C VAL A 26 -1.037 0.324 -5.212 1.00 4.42 C ATOM 404 O VAL A 26 -0.577 1.384 -5.633 1.00 3.40 O ATOM 405 CB VAL A 26 -2.629 -0.089 -3.335 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.717 0.828 -2.502 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.073 0.089 -2.835 1.00 8.12 C ATOM 0 H VAL A 26 -3.420 -1.631 -4.950 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.885 1.181 -5.029 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.357 -1.137 -3.210 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.847 0.606 -1.443 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.677 0.660 -2.783 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.979 1.869 -2.689 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.120 -0.139 -1.770 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.391 1.118 -3.000 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.733 -0.587 -3.380 1.00 8.12 H new ATOM 417 N LYS A 27 -0.296 -0.799 -5.222 1.00 2.64 N ATOM 418 CA LYS A 27 1.075 -0.896 -5.617 1.00 4.14 C ATOM 419 C LYS A 27 1.314 -0.399 -7.001 1.00 5.58 C ATOM 420 O LYS A 27 2.382 0.165 -7.239 1.00 4.11 O ATOM 421 CB LYS A 27 1.576 -2.349 -5.578 1.00 3.97 C ATOM 422 CG LYS A 27 1.619 -2.940 -4.168 1.00 7.45 C ATOM 423 CD LYS A 27 2.024 -4.415 -4.132 1.00 9.02 C ATOM 424 CE LYS A 27 3.519 -4.571 -4.421 1.00 12.90 C ATOM 425 NZ LYS A 27 3.714 -5.948 -4.925 1.00 15.47 N ATOM 0 H LYS A 27 -0.682 -1.699 -4.935 1.00 2.64 H new ATOM 0 HA LYS A 27 1.614 -0.276 -4.901 1.00 4.14 H new ATOM 0 HB2 LYS A 27 0.929 -2.965 -6.202 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.575 -2.393 -6.013 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.320 -2.365 -3.564 1.00 7.45 H new ATOM 0 HG3 LYS A 27 0.637 -2.831 -3.707 1.00 7.45 H new ATOM 0 HD2 LYS A 27 1.791 -4.838 -3.155 1.00 9.02 H new ATOM 0 HD3 LYS A 27 1.446 -4.974 -4.867 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.849 -3.839 -5.158 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.107 -4.402 -3.519 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.712 -6.219 -4.817 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.116 -6.604 -4.383 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.451 -5.990 -5.930 1.00 15.47 H new ATOM 439 N ALA A 28 0.383 -0.506 -7.965 1.00 6.61 N ATOM 440 CA ALA A 28 0.509 0.000 -9.297 1.00 7.74 C ATOM 441 C ALA A 28 0.537 1.486 -9.392 1.00 9.17 C ATOM 442 O ALA A 28 1.153 2.016 -10.316 1.00 11.45 O ATOM 443 CB ALA A 28 -0.594 -0.613 -10.177 1.00 7.68 C ATOM 0 H ALA A 28 -0.510 -0.973 -7.805 1.00 6.61 H new ATOM 0 HA ALA A 28 1.488 -0.306 -9.665 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.503 -0.231 -11.194 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -0.491 -1.698 -10.187 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.571 -0.345 -9.775 1.00 7.68 H new ATOM 449 N LYS A 29 -0.179 2.220 -8.522 1.00 8.96 N ATOM 450 CA LYS A 29 -0.189 3.650 -8.511 1.00 7.90 C ATOM 451 C LYS A 29 1.005 4.223 -7.828 1.00 6.92 C ATOM 452 O LYS A 29 1.540 5.297 -8.097 1.00 6.87 O ATOM 453 CB LYS A 29 -1.459 4.216 -7.854 1.00 10.28 C ATOM 454 CG LYS A 29 -2.771 3.789 -8.515 1.00 14.94 C ATOM 455 CD LYS A 29 -2.861 3.839 -10.041 1.00 19.69 C ATOM 456 CE LYS A 29 -4.198 3.378 -10.626 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.254 4.306 -10.164 1.00 24.98 N ATOM 0 H LYS A 29 -0.771 1.805 -7.802 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.168 3.946 -9.560 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.478 3.907 -6.809 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.401 5.304 -7.864 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.984 2.767 -8.202 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.566 4.418 -8.114 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.672 4.862 -10.368 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.067 3.219 -10.457 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.152 3.367 -11.715 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.421 2.360 -10.306 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.126 4.137 -10.705 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.438 4.147 -9.153 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.942 5.287 -10.309 1.00 24.98 H new ATOM 471 N ILE A 30 1.565 3.533 -6.818 1.00 4.57 N ATOM 472 CA ILE A 30 2.805 3.870 -6.193 1.00 5.58 C ATOM 473 C ILE A 30 3.936 3.706 -7.150 1.00 7.26 C ATOM 474 O ILE A 30 4.875 4.476 -7.344 1.00 9.46 O ATOM 475 CB ILE A 30 3.103 3.085 -4.950 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.875 3.198 -4.031 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.318 3.696 -4.232 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.895 2.256 -2.828 1.00 2.00 C ATOM 0 H ILE A 30 1.132 2.700 -6.419 1.00 4.57 H new ATOM 0 HA ILE A 30 2.698 4.912 -5.892 1.00 5.58 H new ATOM 0 HB ILE A 30 3.320 2.046 -5.197 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.799 4.224 -3.672 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.978 2.999 -4.618 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.533 3.124 -3.329 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.184 3.668 -4.894 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.100 4.730 -3.963 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.992 2.403 -2.235 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.937 1.224 -3.175 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.770 2.468 -2.214 1.00 2.00 H new ATOM 490 N GLN A 31 3.822 2.644 -7.968 1.00 7.06 N ATOM 491 CA GLN A 31 4.709 2.427 -9.068 1.00 8.67 C ATOM 492 C GLN A 31 4.638 3.334 -10.247 1.00 10.90 C ATOM 493 O GLN A 31 5.642 3.685 -10.865 1.00 9.63 O ATOM 494 CB GLN A 31 4.619 0.957 -9.512 1.00 9.12 C ATOM 495 CG GLN A 31 5.720 0.490 -10.466 1.00 10.76 C ATOM 496 CD GLN A 31 5.372 -0.850 -11.099 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.364 -1.484 -10.792 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.254 -1.312 -12.025 1.00 14.76 N ATOM 0 H GLN A 31 3.105 1.926 -7.864 1.00 7.06 H new ATOM 0 HA GLN A 31 5.682 2.688 -8.652 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.639 0.325 -8.624 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.654 0.799 -9.993 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.868 1.236 -11.247 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.662 0.405 -9.924 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.082 -0.764 -12.259 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.088 -2.207 -12.486 1.00 14.76 H new ATOM 507 N ASP A 32 3.428 3.863 -10.504 1.00 10.93 N ATOM 508 CA ASP A 32 3.176 4.887 -11.470 1.00 14.01 C ATOM 509 C ASP A 32 3.597 6.243 -11.015 1.00 14.04 C ATOM 510 O ASP A 32 4.447 6.918 -11.594 1.00 13.39 O ATOM 511 CB ASP A 32 1.667 4.868 -11.766 1.00 18.01 C ATOM 512 CG ASP A 32 1.337 5.690 -13.003 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.108 5.480 -13.978 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.429 6.563 -13.032 1.00 26.29 O ATOM 0 H ASP A 32 2.585 3.562 -10.014 1.00 10.93 H new ATOM 0 HA ASP A 32 3.768 4.682 -12.362 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.335 3.840 -11.911 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.121 5.261 -10.909 1.00 18.01 H new ATOM 519 N LYS A 33 3.109 6.786 -9.886 1.00 14.22 N ATOM 520 CA LYS A 33 3.262 8.164 -9.535 1.00 14.00 C ATOM 521 C LYS A 33 4.636 8.395 -9.008 1.00 12.37 C ATOM 522 O LYS A 33 5.365 9.076 -9.728 1.00 12.17 O ATOM 523 CB LYS A 33 2.235 8.599 -8.476 1.00 18.62 C ATOM 524 CG LYS A 33 0.805 8.347 -8.960 1.00 24.00 C ATOM 525 CD LYS A 33 -0.179 8.739 -7.855 1.00 27.61 C ATOM 526 CE LYS A 33 -1.619 8.609 -8.353 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.820 9.394 -9.592 1.00 30.06 N ATOM 0 H LYS A 33 2.590 6.247 -9.193 1.00 14.22 H new ATOM 0 HA LYS A 33 3.095 8.757 -10.434 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.410 8.053 -7.549 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.365 9.658 -8.252 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.607 8.926 -9.862 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.677 7.297 -9.221 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.030 8.102 -6.984 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.011 9.764 -7.537 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.851 7.560 -8.540 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.308 8.955 -7.582 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.835 9.576 -9.727 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.314 10.299 -9.515 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.453 8.860 -10.405 1.00 30.06 H new ATOM 541 N GLU A 34 5.009 7.844 -7.840 1.00 10.11 N ATOM 542 CA GLU A 34 6.278 8.116 -7.238 1.00 10.07 C ATOM 543 C GLU A 34 7.475 7.514 -7.890 1.00 9.32 C ATOM 544 O GLU A 34 8.555 8.073 -8.075 1.00 11.61 O ATOM 545 CB GLU A 34 6.196 7.774 -5.740 1.00 14.77 C ATOM 546 CG GLU A 34 4.978 8.315 -4.990 1.00 18.75 C ATOM 547 CD GLU A 34 5.037 9.835 -4.918 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.049 10.295 -4.325 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.156 10.556 -5.458 1.00 21.95 O ATOM 0 H GLU A 34 4.424 7.202 -7.306 1.00 10.11 H new ATOM 0 HA GLU A 34 6.457 9.181 -7.388 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.209 6.689 -5.635 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.095 8.152 -5.252 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.063 8.003 -5.494 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.946 7.897 -3.984 1.00 18.75 H new ATOM 556 N GLY A 35 7.298 6.267 -8.361 1.00 7.22 N ATOM 557 CA GLY A 35 8.313 5.524 -9.041 1.00 6.29 C ATOM 558 C GLY A 35 9.009 4.502 -8.208 1.00 6.93 C ATOM 559 O GLY A 35 10.218 4.300 -8.298 1.00 7.41 O ATOM 0 H GLY A 35 6.419 5.759 -8.265 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.864 5.026 -9.900 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.055 6.222 -9.429 1.00 6.29 H new ATOM 563 N ILE A 36 8.246 3.745 -7.400 1.00 5.86 N ATOM 564 CA ILE A 36 8.732 2.721 -6.528 1.00 6.07 C ATOM 565 C ILE A 36 8.572 1.373 -7.143 1.00 6.36 C ATOM 566 O ILE A 36 7.408 1.128 -7.458 1.00 6.18 O ATOM 567 CB ILE A 36 8.097 2.802 -5.172 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.992 4.246 -4.651 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.902 1.876 -4.245 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.268 5.081 -4.553 1.00 9.49 C ATOM 0 H ILE A 36 7.233 3.854 -7.353 1.00 5.86 H new ATOM 0 HA ILE A 36 9.800 2.886 -6.383 1.00 6.07 H new ATOM 0 HB ILE A 36 7.060 2.469 -5.216 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.295 4.781 -5.296 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.544 4.208 -3.658 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.474 1.903 -3.243 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.865 0.856 -4.628 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.938 2.212 -4.206 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.026 6.072 -4.170 1.00 9.49 H new ATOM 0 HD12 ILE A 36 9.971 4.593 -3.878 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.718 5.174 -5.541 1.00 9.49 H new ATOM 582 N PRO A 37 9.546 0.567 -7.446 1.00 8.65 N ATOM 583 CA PRO A 37 9.264 -0.686 -8.084 1.00 9.18 C ATOM 584 C PRO A 37 8.547 -1.675 -7.230 1.00 9.85 C ATOM 585 O PRO A 37 8.455 -1.353 -6.046 1.00 8.51 O ATOM 586 CB PRO A 37 10.634 -1.225 -8.487 1.00 11.42 C ATOM 587 CG PRO A 37 11.463 0.049 -8.718 1.00 9.27 C ATOM 588 CD PRO A 37 10.868 1.089 -7.755 1.00 8.33 C ATOM 0 HA PRO A 37 8.584 -0.527 -8.921 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.066 -1.850 -7.705 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.577 -1.836 -9.388 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.519 -0.124 -8.510 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.393 0.384 -9.753 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.476 1.194 -6.856 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.810 2.074 -8.218 1.00 8.33 H new ATOM 596 N PRO A 38 7.975 -2.727 -7.734 1.00 8.71 N ATOM 597 CA PRO A 38 6.868 -3.330 -7.049 1.00 9.08 C ATOM 598 C PRO A 38 7.295 -4.188 -5.908 1.00 9.28 C ATOM 599 O PRO A 38 6.548 -4.381 -4.950 1.00 6.50 O ATOM 600 CB PRO A 38 6.091 -4.114 -8.103 1.00 10.31 C ATOM 601 CG PRO A 38 7.027 -4.251 -9.314 1.00 10.81 C ATOM 602 CD PRO A 38 7.830 -2.949 -9.164 1.00 12.00 C ATOM 0 HA PRO A 38 6.241 -2.566 -6.590 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.800 -5.093 -7.723 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.174 -3.593 -8.377 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.656 -5.140 -9.259 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.485 -4.302 -10.258 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.804 -3.034 -9.646 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.312 -2.115 -9.637 1.00 12.00 H new ATOM 610 N ASP A 39 8.522 -4.703 -6.107 1.00 11.20 N ATOM 611 CA ASP A 39 9.227 -5.518 -5.167 1.00 14.96 C ATOM 612 C ASP A 39 9.819 -4.606 -4.148 1.00 13.99 C ATOM 613 O ASP A 39 9.809 -4.897 -2.952 1.00 13.75 O ATOM 614 CB ASP A 39 10.320 -6.325 -5.887 1.00 24.16 C ATOM 615 CG ASP A 39 11.373 -5.574 -6.689 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.047 -4.662 -7.496 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.572 -5.962 -6.669 1.00 35.55 O ATOM 0 H ASP A 39 9.048 -4.543 -6.966 1.00 11.20 H new ATOM 0 HA ASP A 39 8.558 -6.232 -4.687 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.839 -6.922 -5.137 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.825 -7.023 -6.563 1.00 24.16 H new ATOM 622 N GLN A 40 10.191 -3.356 -4.474 1.00 11.60 N ATOM 623 CA GLN A 40 10.797 -2.433 -3.565 1.00 10.76 C ATOM 624 C GLN A 40 9.819 -1.883 -2.585 1.00 8.01 C ATOM 625 O GLN A 40 10.261 -1.412 -1.538 1.00 8.96 O ATOM 626 CB GLN A 40 11.525 -1.277 -4.272 1.00 11.14 C ATOM 627 CG GLN A 40 12.892 -1.715 -4.800 1.00 14.85 C ATOM 628 CD GLN A 40 13.698 -0.674 -5.565 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.498 0.539 -5.596 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.653 -1.214 -6.369 1.00 18.16 N ATOM 0 H GLN A 40 10.064 -2.972 -5.410 1.00 11.60 H new ATOM 0 HA GLN A 40 11.543 -3.018 -3.027 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.915 -0.912 -5.098 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.651 -0.446 -3.578 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.490 -2.054 -3.954 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.745 -2.576 -5.451 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.827 -2.219 -6.351 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.196 -0.614 -6.990 1.00 18.16 H new ATOM 639 N GLN A 41 8.504 -2.005 -2.839 1.00 6.52 N ATOM 640 CA GLN A 41 7.431 -1.598 -1.985 1.00 3.87 C ATOM 641 C GLN A 41 7.051 -2.645 -0.996 1.00 4.79 C ATOM 642 O GLN A 41 6.594 -3.752 -1.277 1.00 6.34 O ATOM 643 CB GLN A 41 6.105 -1.382 -2.735 1.00 4.20 C ATOM 644 CG GLN A 41 6.190 -0.167 -3.661 1.00 3.20 C ATOM 645 CD GLN A 41 4.855 -0.020 -4.377 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.770 -0.107 -3.803 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.839 0.201 -5.718 1.00 7.13 N ATOM 0 H GLN A 41 8.166 -2.420 -3.708 1.00 6.52 H new ATOM 0 HA GLN A 41 7.825 -0.688 -1.533 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.863 -2.271 -3.317 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.296 -1.241 -2.018 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.415 0.733 -3.088 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.996 -0.295 -4.383 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.716 0.280 -6.232 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.950 0.288 -6.210 1.00 7.13 H new ATOM 656 N ARG A 42 7.196 -2.302 0.297 1.00 5.73 N ATOM 657 CA ARG A 42 6.488 -3.044 1.293 1.00 6.97 C ATOM 658 C ARG A 42 5.441 -2.079 1.731 1.00 7.15 C ATOM 659 O ARG A 42 5.699 -0.986 2.233 1.00 7.33 O ATOM 660 CB ARG A 42 7.442 -3.471 2.422 1.00 13.23 C ATOM 661 CG ARG A 42 7.057 -4.574 3.411 1.00 21.27 C ATOM 662 CD ARG A 42 8.240 -4.982 4.291 1.00 26.14 C ATOM 663 NE ARG A 42 7.847 -6.198 5.058 1.00 32.26 N ATOM 664 CZ ARG A 42 8.328 -6.547 6.287 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.362 -5.846 6.838 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.706 -7.550 6.972 1.00 36.39 N ATOM 0 H ARG A 42 7.780 -1.541 0.644 1.00 5.73 H new ATOM 0 HA ARG A 42 6.053 -3.981 0.944 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.376 -3.778 1.951 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.660 -2.579 3.009 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.237 -4.228 4.041 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.694 -5.444 2.863 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.118 -5.186 3.678 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.506 -4.172 4.971 1.00 26.14 H new ATOM 0 HE ARG A 42 7.162 -6.821 4.629 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.774 -5.062 6.331 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.722 -6.106 7.756 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.899 -8.022 6.564 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.048 -7.828 7.892 1.00 36.39 H new ATOM 680 N LEU A 43 4.214 -2.622 1.634 1.00 4.65 N ATOM 681 CA LEU A 43 3.025 -2.061 2.196 1.00 3.51 C ATOM 682 C LEU A 43 2.739 -2.837 3.435 1.00 5.56 C ATOM 683 O LEU A 43 2.601 -4.058 3.488 1.00 4.19 O ATOM 684 CB LEU A 43 1.723 -2.107 1.380 1.00 3.74 C ATOM 685 CG LEU A 43 1.860 -1.212 0.137 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.718 -1.477 -0.858 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.943 0.285 0.482 1.00 9.55 C ATOM 0 H LEU A 43 4.043 -3.497 1.138 1.00 4.65 H new ATOM 0 HA LEU A 43 3.258 -1.001 2.300 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.506 -3.132 1.080 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.886 -1.770 1.992 1.00 3.74 H new ATOM 0 HG LEU A 43 2.807 -1.478 -0.332 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.837 -0.832 -1.729 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.745 -2.520 -1.173 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.238 -1.267 -0.379 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.039 0.865 -0.436 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.039 0.587 1.010 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.811 0.465 1.117 1.00 9.55 H new ATOM 699 N ILE A 44 2.646 -2.077 4.541 1.00 4.58 N ATOM 700 CA ILE A 44 2.514 -2.502 5.900 1.00 5.55 C ATOM 701 C ILE A 44 1.236 -1.838 6.282 1.00 5.46 C ATOM 702 O ILE A 44 1.040 -0.681 5.915 1.00 6.04 O ATOM 703 CB ILE A 44 3.520 -2.067 6.925 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.932 -2.597 6.620 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.172 -2.322 8.401 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.912 -4.119 6.483 1.00 13.90 C ATOM 0 H ILE A 44 2.666 -1.059 4.473 1.00 4.58 H new ATOM 0 HA ILE A 44 2.614 -3.587 5.911 1.00 5.55 H new ATOM 0 HB ILE A 44 3.492 -0.983 6.819 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.305 -2.148 5.700 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.616 -2.306 7.417 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.983 -1.960 9.034 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.252 -1.795 8.654 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.035 -3.391 8.563 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.918 -4.478 6.267 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.560 -4.564 7.414 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.244 -4.402 5.670 1.00 13.90 H new ATOM 718 N PHE A 45 0.349 -2.482 7.062 1.00 6.75 N ATOM 719 CA PHE A 45 -0.731 -1.809 7.715 1.00 4.70 C ATOM 720 C PHE A 45 -0.646 -2.161 9.160 1.00 6.34 C ATOM 721 O PHE A 45 -0.764 -3.354 9.439 1.00 5.45 O ATOM 722 CB PHE A 45 -2.154 -2.037 7.178 1.00 5.51 C ATOM 723 CG PHE A 45 -3.370 -1.447 7.804 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.374 -0.076 7.901 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.527 -2.126 8.106 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.497 0.611 8.298 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.626 -1.477 8.618 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.616 -0.103 8.657 1.00 6.84 C ATOM 0 H PHE A 45 0.382 -3.485 7.242 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.591 -0.747 7.511 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.149 -1.702 6.141 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.308 -3.116 7.164 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.476 0.473 7.660 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.574 -3.192 7.937 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.500 1.691 8.327 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.477 -2.034 8.981 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.503 0.425 8.975 1.00 6.84 H new ATOM 738 N ALA A 46 -0.538 -1.202 10.097 1.00 6.53 N ATOM 739 CA ALA A 46 -0.136 -1.451 11.446 1.00 7.15 C ATOM 740 C ALA A 46 1.181 -2.142 11.527 1.00 9.00 C ATOM 741 O ALA A 46 2.232 -1.514 11.413 1.00 11.15 O ATOM 742 CB ALA A 46 -1.292 -2.160 12.172 1.00 8.99 C ATOM 0 H ALA A 46 -0.737 -0.220 9.909 1.00 6.53 H new ATOM 0 HA ALA A 46 0.050 -0.512 11.968 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.005 -2.359 13.205 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.176 -1.523 12.157 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.515 -3.101 11.669 1.00 8.99 H new ATOM 748 N GLY A 47 1.155 -3.486 11.577 1.00 9.35 N ATOM 749 CA GLY A 47 2.269 -4.379 11.671 1.00 11.68 C ATOM 750 C GLY A 47 2.203 -5.371 10.561 1.00 11.14 C ATOM 751 O GLY A 47 3.003 -6.305 10.515 1.00 13.93 O ATOM 0 H GLY A 47 0.270 -3.993 11.549 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.203 -3.820 11.619 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.258 -4.892 12.633 1.00 11.68 H new ATOM 755 N LYS A 48 1.114 -5.400 9.773 1.00 10.47 N ATOM 756 CA LYS A 48 0.787 -6.446 8.854 1.00 8.82 C ATOM 757 C LYS A 48 1.017 -6.213 7.401 1.00 7.68 C ATOM 758 O LYS A 48 0.535 -5.239 6.825 1.00 6.47 O ATOM 759 CB LYS A 48 -0.691 -6.845 9.009 1.00 9.74 C ATOM 760 CG LYS A 48 -1.033 -7.106 10.477 1.00 14.14 C ATOM 761 CD LYS A 48 -2.336 -7.886 10.663 1.00 16.32 C ATOM 762 CE LYS A 48 -2.538 -8.253 12.134 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.797 -9.032 12.164 1.00 23.92 N ATOM 0 H LYS A 48 0.422 -4.650 9.778 1.00 10.47 H new ATOM 0 HA LYS A 48 1.499 -7.220 9.140 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.329 -6.053 8.618 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.895 -7.739 8.419 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.216 -7.660 10.941 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.110 -6.153 11.000 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.177 -7.288 10.313 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.314 -8.791 10.056 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.701 -8.840 12.513 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.610 -7.362 12.757 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.004 -9.320 13.142 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.577 -8.446 11.804 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.696 -9.878 11.568 1.00 23.92 H new ATOM 777 N GLN A 49 1.875 -7.063 6.809 1.00 8.89 N ATOM 778 CA GLN A 49 2.224 -6.955 5.427 1.00 7.18 C ATOM 779 C GLN A 49 1.125 -7.293 4.480 1.00 8.23 C ATOM 780 O GLN A 49 0.664 -8.433 4.433 1.00 9.70 O ATOM 781 CB GLN A 49 3.391 -7.903 5.098 1.00 11.67 C ATOM 782 CG GLN A 49 4.048 -7.691 3.733 1.00 15.82 C ATOM 783 CD GLN A 49 5.276 -8.580 3.597 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.342 -8.142 4.027 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.219 -9.758 2.920 1.00 20.67 N ATOM 0 H GLN A 49 2.332 -7.834 7.295 1.00 8.89 H new ATOM 0 HA GLN A 49 2.480 -5.904 5.293 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.153 -7.794 5.869 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.028 -8.929 5.152 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.336 -7.918 2.939 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.332 -6.645 3.617 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.325 -10.103 2.572 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.071 -10.296 2.760 1.00 20.67 H new ATOM 794 N LEU A 50 0.632 -6.277 3.749 1.00 6.51 N ATOM 795 CA LEU A 50 -0.425 -6.441 2.800 1.00 7.41 C ATOM 796 C LEU A 50 0.068 -6.986 1.503 1.00 8.27 C ATOM 797 O LEU A 50 0.854 -6.356 0.797 1.00 8.34 O ATOM 798 CB LEU A 50 -1.053 -5.072 2.492 1.00 7.13 C ATOM 799 CG LEU A 50 -1.505 -4.320 3.756 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.889 -2.890 3.339 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.589 -5.039 4.577 1.00 8.14 C ATOM 0 H LEU A 50 0.976 -5.319 3.819 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.142 -7.134 3.241 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.331 -4.461 1.951 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.910 -5.211 1.833 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.673 -4.287 4.460 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.215 -2.330 4.216 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.025 -2.396 2.894 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.700 -2.928 2.611 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.845 -4.436 5.448 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.477 -5.182 3.961 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.214 -6.009 4.904 1.00 8.14 H new ATOM 813 N GLU A 51 -0.322 -8.231 1.177 1.00 9.43 N ATOM 814 CA GLU A 51 0.138 -9.053 0.101 1.00 11.90 C ATOM 815 C GLU A 51 -0.632 -8.743 -1.137 1.00 11.49 C ATOM 816 O GLU A 51 -1.598 -7.983 -1.184 1.00 9.88 O ATOM 817 CB GLU A 51 0.019 -10.571 0.316 1.00 16.56 C ATOM 818 CG GLU A 51 1.002 -11.103 1.361 1.00 26.06 C ATOM 819 CD GLU A 51 0.698 -12.502 1.879 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.278 -13.458 1.300 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.027 -12.562 2.943 1.00 33.44 O ATOM 0 H GLU A 51 -1.035 -8.710 1.727 1.00 9.43 H new ATOM 0 HA GLU A 51 1.200 -8.816 0.030 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.998 -10.810 0.626 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.192 -11.082 -0.631 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.003 -11.101 0.930 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.018 -10.415 2.206 1.00 26.06 H new ATOM 828 N ASP A 52 -0.256 -9.203 -2.344 1.00 12.71 N ATOM 829 CA ASP A 52 -0.670 -8.813 -3.656 1.00 16.56 C ATOM 830 C ASP A 52 -2.061 -9.196 -4.026 1.00 15.83 C ATOM 831 O ASP A 52 -2.776 -8.349 -4.559 1.00 17.21 O ATOM 832 CB ASP A 52 0.282 -9.438 -4.691 1.00 21.05 C ATOM 833 CG ASP A 52 1.629 -8.732 -4.740 1.00 25.12 C ATOM 834 OD1 ASP A 52 1.887 -7.744 -4.003 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.384 -9.075 -5.690 1.00 28.37 O ATOM 0 H ASP A 52 0.434 -9.952 -2.401 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.640 -7.723 -3.652 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.435 -10.490 -4.451 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.181 -9.400 -5.677 1.00 21.05 H new ATOM 840 N GLY A 53 -2.542 -10.433 -3.806 1.00 15.00 N ATOM 841 CA GLY A 53 -3.760 -10.983 -4.312 1.00 11.77 C ATOM 842 C GLY A 53 -4.945 -10.909 -3.412 1.00 11.10 C ATOM 843 O GLY A 53 -5.767 -11.824 -3.436 1.00 11.25 O ATOM 0 H GLY A 53 -2.035 -11.102 -3.226 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -4.005 -10.471 -5.242 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -3.585 -12.030 -4.561 1.00 11.77 H new ATOM 847 N ARG A 54 -5.112 -9.893 -2.546 1.00 8.53 N ATOM 848 CA ARG A 54 -6.222 -9.838 -1.646 1.00 9.05 C ATOM 849 C ARG A 54 -6.720 -8.451 -1.869 1.00 8.96 C ATOM 850 O ARG A 54 -6.056 -7.563 -2.400 1.00 11.60 O ATOM 851 CB ARG A 54 -5.777 -10.061 -0.191 1.00 7.97 C ATOM 852 CG ARG A 54 -5.430 -11.516 0.130 1.00 9.62 C ATOM 853 CD ARG A 54 -5.117 -11.861 1.587 1.00 12.20 C ATOM 854 NE ARG A 54 -4.795 -13.308 1.738 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.547 -14.232 2.405 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.826 -13.942 2.784 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.940 -15.375 2.837 1.00 25.50 N ATOM 0 H ARG A 54 -4.472 -9.103 -2.469 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.975 -10.607 -1.818 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.908 -9.436 0.014 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.572 -9.730 0.477 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -6.264 -12.140 -0.192 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.569 -11.798 -0.475 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.276 -11.260 1.934 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.971 -11.608 2.216 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.934 -13.639 1.303 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -7.227 -13.029 2.569 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -7.381 -14.638 3.282 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.947 -15.523 2.659 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.480 -16.081 3.338 1.00 25.50 H new ATOM 871 N THR A 55 -7.998 -8.258 -1.497 1.00 9.05 N ATOM 872 CA THR A 55 -8.800 -7.076 -1.440 1.00 9.03 C ATOM 873 C THR A 55 -8.658 -6.373 -0.134 1.00 8.15 C ATOM 874 O THR A 55 -8.227 -6.883 0.899 1.00 5.91 O ATOM 875 CB THR A 55 -10.241 -7.440 -1.639 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.594 -8.520 -0.787 1.00 11.95 O ATOM 877 CG2 THR A 55 -10.516 -7.828 -3.102 1.00 11.71 C ATOM 0 H THR A 55 -8.547 -9.061 -1.190 1.00 9.05 H new ATOM 0 HA THR A 55 -8.459 -6.406 -2.229 1.00 9.03 H new ATOM 0 HB THR A 55 -10.846 -6.568 -1.392 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.375 -8.271 -0.250 1.00 11.95 H new ATOM 0 HG21 THR A 55 -11.568 -8.087 -3.218 1.00 11.71 H new ATOM 0 HG22 THR A 55 -10.276 -6.987 -3.753 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.899 -8.685 -3.373 1.00 11.71 H new ATOM 885 N LEU A 56 -8.963 -5.064 -0.181 1.00 6.91 N ATOM 886 CA LEU A 56 -8.904 -4.245 0.990 1.00 8.29 C ATOM 887 C LEU A 56 -9.941 -4.636 1.986 1.00 8.05 C ATOM 888 O LEU A 56 -9.739 -4.602 3.199 1.00 10.17 O ATOM 889 CB LEU A 56 -8.998 -2.736 0.706 1.00 6.60 C ATOM 890 CG LEU A 56 -7.898 -2.112 -0.169 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.415 -1.252 -1.335 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.974 -1.283 0.740 1.00 9.85 C ATOM 0 H LEU A 56 -9.250 -4.573 -1.028 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.913 -4.426 1.406 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.959 -2.542 0.229 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.005 -2.213 1.662 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.363 -2.933 -0.646 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.570 -0.854 -1.896 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -9.031 -1.864 -1.993 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -9.011 -0.428 -0.943 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.185 -0.830 0.140 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.553 -0.500 1.230 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.529 -1.931 1.495 1.00 9.85 H new ATOM 904 N SER A 57 -11.059 -5.178 1.473 1.00 8.92 N ATOM 905 CA SER A 57 -12.043 -5.877 2.240 1.00 9.00 C ATOM 906 C SER A 57 -11.588 -7.083 2.987 1.00 9.44 C ATOM 907 O SER A 57 -12.047 -7.409 4.081 1.00 10.91 O ATOM 908 CB SER A 57 -13.348 -6.075 1.450 1.00 10.32 C ATOM 909 OG SER A 57 -12.921 -6.778 0.292 1.00 13.59 O ATOM 0 H SER A 57 -11.288 -5.127 0.480 1.00 8.92 H new ATOM 0 HA SER A 57 -12.262 -5.200 3.066 1.00 9.00 H new ATOM 0 HB2 SER A 57 -14.082 -6.645 2.020 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.813 -5.123 1.195 1.00 10.32 H new ATOM 0 HG SER A 57 -13.693 -6.957 -0.285 1.00 13.59 H new ATOM 915 N ASP A 58 -10.663 -7.913 2.472 1.00 9.11 N ATOM 916 CA ASP A 58 -10.328 -9.177 3.051 1.00 7.91 C ATOM 917 C ASP A 58 -9.366 -8.887 4.152 1.00 9.12 C ATOM 918 O ASP A 58 -9.467 -9.379 5.275 1.00 8.61 O ATOM 919 CB ASP A 58 -9.687 -10.038 1.949 1.00 8.41 C ATOM 920 CG ASP A 58 -9.682 -11.492 2.398 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.699 -12.210 2.203 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.607 -11.925 2.893 1.00 10.05 O ATOM 0 H ASP A 58 -10.132 -7.698 1.628 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.188 -9.716 3.448 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -10.243 -9.933 1.018 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.669 -9.701 1.752 1.00 8.41 H new ATOM 927 N TYR A 59 -8.585 -7.801 4.009 1.00 7.97 N ATOM 928 CA TYR A 59 -7.912 -7.159 5.096 1.00 8.45 C ATOM 929 C TYR A 59 -8.661 -6.346 6.095 1.00 10.98 C ATOM 930 O TYR A 59 -8.142 -6.106 7.184 1.00 12.95 O ATOM 931 CB TYR A 59 -6.783 -6.269 4.550 1.00 7.94 C ATOM 932 CG TYR A 59 -5.790 -7.203 3.947 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.116 -8.171 4.654 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.384 -6.968 2.655 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.084 -8.914 4.131 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.361 -7.705 2.106 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.668 -8.630 2.852 1.00 6.76 C ATOM 938 OH TYR A 59 -2.583 -9.338 2.294 1.00 7.63 O ATOM 0 H TYR A 59 -8.416 -7.355 3.107 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.603 -8.032 5.670 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.162 -5.567 3.807 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.331 -5.677 5.346 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.413 -8.358 5.675 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.870 -6.202 2.069 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.614 -9.697 4.708 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.097 -7.555 1.070 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.698 -9.400 1.323 1.00 7.63 H new ATOM 948 N ASN A 60 -9.876 -5.840 5.817 1.00 12.38 N ATOM 949 CA ASN A 60 -10.608 -4.960 6.675 1.00 13.94 C ATOM 950 C ASN A 60 -10.013 -3.596 6.750 1.00 14.16 C ATOM 951 O ASN A 60 -10.046 -2.959 7.801 1.00 14.26 O ATOM 952 CB ASN A 60 -11.065 -5.414 8.072 1.00 19.23 C ATOM 953 CG ASN A 60 -11.730 -6.783 8.080 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.095 -7.710 8.579 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.896 -7.075 7.443 1.00 24.09 N ATOM 0 H ASN A 60 -10.372 -6.055 4.952 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.549 -4.968 6.125 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.203 -5.434 8.739 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.762 -4.678 8.474 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.220 -8.041 7.390 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.446 -6.328 7.019 1.00 24.09 H new ATOM 962 N ILE A 61 -9.425 -3.067 5.662 1.00 11.08 N ATOM 963 CA ILE A 61 -8.980 -1.710 5.591 1.00 11.78 C ATOM 964 C ILE A 61 -10.208 -1.022 5.102 1.00 13.74 C ATOM 965 O ILE A 61 -10.856 -1.293 4.093 1.00 14.60 O ATOM 966 CB ILE A 61 -7.845 -1.472 4.639 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.727 -2.385 5.170 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.324 -0.038 4.446 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.426 -2.419 4.371 1.00 11.42 C ATOM 0 H ILE A 61 -9.254 -3.598 4.808 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.584 -1.366 6.546 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.209 -1.684 3.634 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.492 -2.076 6.189 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.117 -3.401 5.227 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.505 -0.042 3.727 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.130 0.595 4.075 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.967 0.351 5.400 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.722 -3.099 4.851 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.630 -2.764 3.357 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.996 -1.418 4.334 1.00 11.42 H new ATOM 981 N GLN A 62 -10.449 0.069 5.850 1.00 13.97 N ATOM 982 CA GLN A 62 -11.461 1.056 5.633 1.00 15.52 C ATOM 983 C GLN A 62 -10.993 2.293 4.946 1.00 13.94 C ATOM 984 O GLN A 62 -9.846 2.381 4.509 1.00 12.15 O ATOM 985 CB GLN A 62 -11.895 1.614 6.999 1.00 19.53 C ATOM 986 CG GLN A 62 -12.478 0.657 8.042 1.00 26.38 C ATOM 987 CD GLN A 62 -12.642 1.410 9.354 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.438 2.607 9.550 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.015 0.624 10.399 1.00 32.71 N ATOM 0 H GLN A 62 -9.888 0.277 6.676 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.218 0.542 5.041 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.028 2.099 7.447 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.636 2.392 6.816 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.440 0.270 7.705 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.820 -0.201 8.178 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.188 -0.371 10.253 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.122 1.029 11.329 1.00 32.71 H new ATOM 998 N LYS A 63 -11.976 3.165 4.660 1.00 11.73 N ATOM 999 CA LYS A 63 -11.872 4.562 4.370 1.00 11.97 C ATOM 1000 C LYS A 63 -10.970 5.264 5.326 1.00 10.41 C ATOM 1001 O LYS A 63 -10.931 5.028 6.533 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.176 5.374 4.293 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.888 5.448 5.646 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.299 5.994 5.419 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.927 6.443 6.740 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.880 5.357 7.745 1.00 25.97 N ATOM 0 H LYS A 63 -12.947 2.855 4.629 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.470 4.533 3.357 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.955 6.383 3.945 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.841 4.922 3.558 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.933 4.461 6.106 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.337 6.093 6.330 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.262 6.834 4.725 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.921 5.227 4.958 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.399 7.318 7.119 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.961 6.743 6.572 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.536 5.575 8.522 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.157 4.459 7.299 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.914 5.273 8.120 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.157 6.149 4.724 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.210 7.022 5.346 1.00 10.94 C ATOM 1022 C GLU A 64 -8.112 6.406 6.143 1.00 9.74 C ATOM 1023 O GLU A 64 -7.667 6.970 7.142 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.949 8.083 6.177 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.720 8.963 5.191 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.221 10.251 5.828 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.636 10.235 7.018 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.125 11.277 5.103 1.00 32.61 O ATOM 0 H GLU A 64 -10.164 6.263 3.710 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.676 7.461 4.503 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.629 7.612 6.887 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.244 8.679 6.757 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.076 9.206 4.346 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.568 8.403 4.796 1.00 24.16 H new ATOM 1035 N SER A 65 -7.732 5.144 5.878 1.00 6.85 N ATOM 1036 CA SER A 65 -6.875 4.363 6.715 1.00 6.90 C ATOM 1037 C SER A 65 -5.487 4.840 6.458 1.00 4.72 C ATOM 1038 O SER A 65 -5.175 5.433 5.426 1.00 3.91 O ATOM 1039 CB SER A 65 -6.975 2.860 6.404 1.00 7.28 C ATOM 1040 OG SER A 65 -8.301 2.427 6.675 1.00 10.56 O ATOM 0 H SER A 65 -8.036 4.645 5.042 1.00 6.85 H new ATOM 0 HA SER A 65 -7.166 4.484 7.759 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.722 2.672 5.361 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.263 2.300 7.011 1.00 7.28 H new ATOM 0 HG SER A 65 -8.729 2.141 5.841 1.00 10.56 H new ATOM 1046 N THR A 66 -4.611 4.660 7.462 1.00 4.48 N ATOM 1047 CA THR A 66 -3.219 4.942 7.294 1.00 3.80 C ATOM 1048 C THR A 66 -2.433 3.712 6.996 1.00 4.60 C ATOM 1049 O THR A 66 -2.167 2.971 7.941 1.00 5.33 O ATOM 1050 CB THR A 66 -2.580 5.707 8.415 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.340 6.829 8.841 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.156 6.089 7.980 1.00 3.40 C ATOM 0 H THR A 66 -4.866 4.320 8.389 1.00 4.48 H new ATOM 0 HA THR A 66 -3.193 5.608 6.431 1.00 3.80 H new ATOM 0 HB THR A 66 -2.538 5.069 9.298 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.872 7.283 9.573 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.669 6.647 8.779 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.585 5.185 7.769 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.203 6.706 7.083 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.954 3.575 5.747 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.111 2.500 5.324 1.00 3.85 C ATOM 1062 C LEU A 67 0.306 2.961 5.298 1.00 3.80 C ATOM 1063 O LEU A 67 0.592 4.156 5.259 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.501 1.993 3.926 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.772 1.135 3.801 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.092 1.906 3.972 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.757 0.450 2.425 1.00 8.12 C ATOM 0 H LEU A 67 -2.162 4.240 5.002 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.232 1.680 6.032 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.618 2.860 3.276 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.665 1.412 3.536 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.746 0.419 4.622 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.931 1.218 3.868 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.120 2.365 4.960 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.162 2.682 3.210 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.650 -0.165 2.315 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.739 1.208 1.642 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.871 -0.180 2.342 1.00 8.12 H new ATOM 1079 N HIS A 68 1.296 2.053 5.366 1.00 2.94 N ATOM 1080 CA HIS A 68 2.656 2.495 5.381 1.00 4.17 C ATOM 1081 C HIS A 68 3.464 1.937 4.260 1.00 5.32 C ATOM 1082 O HIS A 68 3.525 0.723 4.070 1.00 7.70 O ATOM 1083 CB HIS A 68 3.398 2.155 6.684 1.00 5.57 C ATOM 1084 CG HIS A 68 2.748 2.363 8.020 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.956 1.582 9.139 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.832 3.285 8.419 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.225 2.122 10.151 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.524 3.170 9.760 1.00 16.30 N ATOM 0 H HIS A 68 1.163 1.043 5.409 1.00 2.94 H new ATOM 0 HA HIS A 68 2.568 3.577 5.280 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.679 1.104 6.626 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.322 2.733 6.685 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.395 4.023 7.762 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.219 1.737 11.160 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.902 3.756 10.317 1.00 16.30 H new ATOM 1096 N LEU A 69 4.227 2.737 3.495 1.00 5.29 N ATOM 1097 CA LEU A 69 5.216 2.387 2.523 1.00 3.97 C ATOM 1098 C LEU A 69 6.551 2.213 3.161 1.00 5.07 C ATOM 1099 O LEU A 69 7.236 3.147 3.575 1.00 4.34 O ATOM 1100 CB LEU A 69 5.324 3.470 1.437 1.00 6.08 C ATOM 1101 CG LEU A 69 6.349 3.244 0.313 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.564 1.802 -0.176 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.133 4.208 -0.866 1.00 6.87 C ATOM 0 H LEU A 69 4.137 3.750 3.570 1.00 5.29 H new ATOM 0 HA LEU A 69 4.905 1.446 2.069 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.342 3.587 0.979 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.562 4.415 1.926 1.00 6.08 H new ATOM 0 HG LEU A 69 7.290 3.475 0.812 1.00 7.37 H new ATOM 0 HD11 LEU A 69 7.313 1.794 -0.968 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.907 1.184 0.654 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.625 1.404 -0.560 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.879 4.013 -1.637 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.136 4.059 -1.280 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.231 5.236 -0.518 1.00 6.87 H new ATOM 1115 N VAL A 70 6.936 0.945 3.388 1.00 4.29 N ATOM 1116 CA VAL A 70 8.249 0.663 3.878 1.00 6.26 C ATOM 1117 C VAL A 70 9.208 0.296 2.798 1.00 9.22 C ATOM 1118 O VAL A 70 8.906 -0.589 1.998 1.00 9.36 O ATOM 1119 CB VAL A 70 8.268 -0.361 4.974 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.628 -0.348 5.691 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.180 0.077 5.970 1.00 8.54 C ATOM 0 H VAL A 70 6.348 0.126 3.235 1.00 4.29 H new ATOM 0 HA VAL A 70 8.586 1.604 4.311 1.00 6.26 H new ATOM 0 HB VAL A 70 8.099 -1.363 4.581 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.628 -1.096 6.484 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.418 -0.577 4.976 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.803 0.638 6.122 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.140 -0.630 6.799 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.415 1.071 6.352 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.214 0.101 5.466 1.00 8.54 H new ATOM 1131 N LEU A 71 10.335 0.982 2.538 1.00 12.71 N ATOM 1132 CA LEU A 71 11.219 0.693 1.452 1.00 16.06 C ATOM 1133 C LEU A 71 12.010 -0.523 1.792 1.00 18.09 C ATOM 1134 O LEU A 71 12.762 -0.639 2.759 1.00 19.26 O ATOM 1135 CB LEU A 71 12.118 1.918 1.211 1.00 17.10 C ATOM 1136 CG LEU A 71 12.853 1.871 -0.139 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.900 1.817 -1.345 1.00 19.57 C ATOM 1138 CD2 LEU A 71 13.795 3.079 -0.277 1.00 17.51 C ATOM 0 H LEU A 71 10.643 1.770 3.108 1.00 12.71 H new ATOM 0 HA LEU A 71 10.669 0.491 0.533 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.510 2.822 1.256 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.851 1.987 2.015 1.00 17.10 H new ATOM 0 HG LEU A 71 13.428 0.945 -0.144 1.00 19.37 H new ATOM 0 HD11 LEU A 71 12.481 1.786 -2.267 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.278 0.924 -1.277 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.265 2.703 -1.347 1.00 19.57 H new ATOM 0 HD21 LEU A 71 14.308 3.032 -1.237 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.216 4.001 -0.220 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.529 3.062 0.528 1.00 17.51 H new ATOM 1150 N ARG A 72 11.771 -1.561 0.971 1.00 21.47 N ATOM 1151 CA ARG A 72 12.281 -2.891 1.100 1.00 25.83 C ATOM 1152 C ARG A 72 13.423 -3.156 0.180 1.00 27.74 C ATOM 1153 O ARG A 72 13.602 -2.468 -0.824 1.00 30.65 O ATOM 1154 CB ARG A 72 11.095 -3.753 0.634 1.00 28.49 C ATOM 1155 CG ARG A 72 11.209 -5.246 0.947 1.00 31.79 C ATOM 1156 CD ARG A 72 10.399 -6.120 -0.013 1.00 34.05 C ATOM 1157 NE ARG A 72 10.443 -7.478 0.598 1.00 35.08 N ATOM 1158 CZ ARG A 72 9.329 -8.236 0.817 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.080 -7.924 0.363 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.408 -9.385 1.550 1.00 34.97 N ATOM 0 H ARG A 72 11.173 -1.460 0.151 1.00 21.47 H new ATOM 0 HA ARG A 72 12.642 -3.083 2.110 1.00 25.83 H new ATOM 0 HB2 ARG A 72 10.185 -3.370 1.096 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.980 -3.632 -0.443 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.257 -5.542 0.903 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.870 -5.425 1.967 1.00 31.79 H new ATOM 0 HD2 ARG A 72 9.375 -5.761 -0.110 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.833 -6.120 -1.013 1.00 34.05 H new ATOM 0 HE ARG A 72 11.350 -7.860 0.866 1.00 35.08 H new ATOM 0 HH11 ARG A 72 7.933 -7.074 -0.180 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.294 -8.541 0.567 1.00 35.02 H new ATOM 0 HH21 ARG A 72 10.303 -9.682 1.938 1.00 34.97 H new ATOM 0 HH22 ARG A 72 8.572 -9.947 1.710 1.00 34.97 H new ATOM 1174 N LEU A 73 14.312 -4.085 0.573 1.00 28.93 N ATOM 1175 CA LEU A 73 15.414 -4.623 -0.162 1.00 30.76 C ATOM 1176 C LEU A 73 15.127 -5.828 -0.990 1.00 32.18 C ATOM 1177 O LEU A 73 14.210 -6.576 -0.653 1.00 32.31 O ATOM 1178 CB LEU A 73 16.683 -4.736 0.700 1.00 30.53 C ATOM 1179 CG LEU A 73 18.058 -4.578 0.029 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.124 -3.351 -0.895 1.00 29.11 C ATOM 1181 CD2 LEU A 73 19.132 -4.428 1.119 1.00 29.57 C ATOM 0 H LEU A 73 14.250 -4.501 1.502 1.00 28.93 H new ATOM 0 HA LEU A 73 15.619 -3.875 -0.928 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.613 -3.986 1.488 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.664 -5.711 1.186 1.00 30.53 H new ATOM 0 HG LEU A 73 18.229 -5.466 -0.580 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.115 -3.286 -1.343 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.376 -3.447 -1.682 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.928 -2.449 -0.316 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.111 -4.315 0.652 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.915 -3.548 1.725 1.00 29.57 H new ATOM 0 HD23 LEU A 73 19.132 -5.314 1.754 1.00 29.57 H new ATOM 1193 N ARG A 74 15.979 -6.209 -1.959 1.00 33.82 N ATOM 1194 CA ARG A 74 15.870 -7.486 -2.592 1.00 35.33 C ATOM 1195 C ARG A 74 16.647 -8.517 -1.849 1.00 36.22 C ATOM 1196 O ARG A 74 17.692 -8.282 -1.243 1.00 36.70 O ATOM 1197 CB ARG A 74 16.417 -7.433 -4.028 1.00 36.91 C ATOM 1198 CG ARG A 74 17.790 -6.771 -4.162 1.00 38.62 C ATOM 1199 CD ARG A 74 18.389 -6.505 -5.544 1.00 39.75 C ATOM 1200 NE ARG A 74 17.717 -5.370 -6.238 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.589 -5.432 -7.003 1.00 41.91 C ATOM 1202 NH1 ARG A 74 16.020 -6.626 -7.342 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.059 -4.314 -7.579 1.00 41.93 N ATOM 0 H ARG A 74 16.745 -5.631 -2.304 1.00 33.82 H new ATOM 0 HA ARG A 74 14.812 -7.747 -2.601 1.00 35.33 H new ATOM 0 HB2 ARG A 74 16.479 -8.449 -4.417 1.00 36.91 H new ATOM 0 HB3 ARG A 74 15.706 -6.894 -4.654 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.738 -5.814 -3.644 1.00 38.62 H new ATOM 0 HG3 ARG A 74 18.501 -7.391 -3.616 1.00 38.62 H new ATOM 0 HD2 ARG A 74 19.452 -6.288 -5.442 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.304 -7.404 -6.155 1.00 39.75 H new ATOM 0 HE ARG A 74 18.145 -4.451 -6.130 1.00 41.13 H new ATOM 0 HH11 ARG A 74 16.438 -7.499 -7.022 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.176 -6.644 -7.915 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.507 -3.408 -7.441 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.215 -4.384 -8.147 1.00 41.93 H new ATOM 1217 N GLY A 75 16.086 -9.737 -1.769 1.00 36.31 N ATOM 1218 CA GLY A 75 16.490 -10.782 -0.882 1.00 36.07 C ATOM 1219 C GLY A 75 16.032 -10.568 0.520 1.00 36.16 C ATOM 1220 O GLY A 75 16.803 -10.524 1.477 1.00 36.26 O ATOM 0 H GLY A 75 15.301 -10.009 -2.361 1.00 36.31 H new ATOM 0 HA2 GLY A 75 16.097 -11.731 -1.246 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.577 -10.861 -0.895 1.00 36.07 H new ATOM 1224 N GLY A 76 14.704 -10.439 0.688 1.00 36.05 N ATOM 1225 CA GLY A 76 14.125 -10.002 1.921 1.00 36.19 C ATOM 1226 C GLY A 76 12.654 -9.622 1.833 1.00 36.20 C ATOM 1227 O GLY A 76 12.265 -8.479 2.195 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.860 -10.547 1.516 1.00 36.27 O ATOM 0 H GLY A 76 14.021 -10.641 -0.043 1.00 36.05 H new ATOM 0 HA2 GLY A 76 14.238 -10.795 2.661 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.687 -9.143 2.286 1.00 36.19 H new TER 1232 GLY A 76