USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 428 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 40 GLN : amide:sc= 0.691 K(o=1.7,f=-1.9) USER MOD Set 1.2: A 43 ASN : amide:sc= 1.04 K(o=1.7,f=-1.4) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.86! K(o=-5.8!,f=-2.7) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.95! C(o=-5.8!,f=-10!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 170:sc= -10.1! (180deg=-10.8!) USER MOD Single : A 23 ASN : amide:sc= -0.46 K(o=-0.46,f=-10!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.3) USER MOD Single : A 32 ASN : amide:sc= -0.317 K(o=-0.32,f=-6.7!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.8 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 90:sc= -1.15 USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= -1.36 (180deg=-2.68!) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0662) USER MOD Single : A 55 GLN : amide:sc= -3.24! C(o=-3.2!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.874 -12.972 9.398 1.00 0.00 N ATOM 46 CA LYS A 4 0.365 -12.539 8.751 1.00 0.00 C ATOM 47 C LYS A 4 0.153 -11.225 8.011 1.00 0.00 C ATOM 48 O LYS A 4 1.041 -10.746 7.300 1.00 0.00 O ATOM 49 CB LYS A 4 0.860 -13.616 7.774 1.00 0.00 C ATOM 50 CG LYS A 4 0.866 -14.997 8.458 1.00 0.00 C ATOM 51 CD LYS A 4 1.833 -14.999 9.653 1.00 0.00 C ATOM 52 CE LYS A 4 1.838 -16.384 10.311 1.00 0.00 C ATOM 53 NZ LYS A 4 0.747 -16.456 11.325 1.00 0.00 N ATOM 0 HA LYS A 4 1.119 -12.387 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.217 -13.641 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.864 -13.369 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.140 -15.247 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.162 -15.763 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.838 -14.740 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.532 -14.242 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.699 -17.158 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.802 -16.570 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.750 -17.395 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.899 -15.727 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.170 -16.296 10.861 1.00 0.00 H new ATOM 67 N PHE A 5 -1.037 -10.663 8.181 1.00 0.00 N ATOM 68 CA PHE A 5 -1.403 -9.415 7.530 1.00 0.00 C ATOM 69 C PHE A 5 -0.406 -8.310 7.812 1.00 0.00 C ATOM 70 O PHE A 5 0.119 -7.690 6.896 1.00 0.00 O ATOM 71 CB PHE A 5 -2.728 -8.921 8.099 1.00 0.00 C ATOM 72 CG PHE A 5 -3.911 -9.590 7.448 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.924 -10.976 7.233 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.010 -8.807 7.071 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.043 -11.570 6.632 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.120 -9.401 6.474 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.140 -10.777 6.253 1.00 0.00 C ATOM 0 H PHE A 5 -1.770 -11.057 8.770 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.446 -9.623 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.753 -9.107 9.173 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.801 -7.842 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.079 -11.581 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.997 -7.741 7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.062 -12.636 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.965 -8.795 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.001 -11.235 5.789 1.00 0.00 H new ATOM 87 N ASN A 6 -0.198 -8.046 9.097 1.00 0.00 N ATOM 88 CA ASN A 6 0.680 -6.969 9.519 1.00 0.00 C ATOM 89 C ASN A 6 2.068 -7.091 8.925 1.00 0.00 C ATOM 90 O ASN A 6 2.593 -6.117 8.413 1.00 0.00 O ATOM 91 CB ASN A 6 0.792 -6.961 11.037 1.00 0.00 C ATOM 92 CG ASN A 6 -0.584 -6.764 11.673 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.363 -5.920 11.228 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.932 -7.502 12.690 1.00 0.00 N ATOM 0 H ASN A 6 -0.627 -8.565 9.863 1.00 0.00 H new ATOM 0 HA ASN A 6 0.241 -6.038 9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.227 -7.899 11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.464 -6.163 11.354 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.850 -7.381 13.118 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.286 -8.201 13.058 1.00 0.00 H new ATOM 101 N LYS A 7 2.650 -8.285 8.983 1.00 0.00 N ATOM 102 CA LYS A 7 3.986 -8.492 8.448 1.00 0.00 C ATOM 103 C LYS A 7 4.030 -8.150 6.967 1.00 0.00 C ATOM 104 O LYS A 7 4.973 -7.517 6.500 1.00 0.00 O ATOM 105 CB LYS A 7 4.416 -9.941 8.685 1.00 0.00 C ATOM 106 CG LYS A 7 5.843 -10.183 8.158 1.00 0.00 C ATOM 107 CD LYS A 7 6.873 -9.463 9.048 1.00 0.00 C ATOM 108 CE LYS A 7 7.326 -8.158 8.380 1.00 0.00 C ATOM 109 NZ LYS A 7 8.578 -7.677 9.028 1.00 0.00 N ATOM 0 H LYS A 7 2.220 -9.115 9.391 1.00 0.00 H new ATOM 0 HA LYS A 7 4.682 -7.830 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.374 -10.168 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.721 -10.617 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.054 -11.252 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.925 -9.823 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.436 -9.249 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.733 -10.111 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.494 -8.321 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.545 -7.402 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.885 -6.792 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.402 -7.506 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.322 -8.396 8.923 1.00 0.00 H new ATOM 123 N GLU A 8 2.988 -8.545 6.244 1.00 0.00 N ATOM 124 CA GLU A 8 2.906 -8.253 4.823 1.00 0.00 C ATOM 125 C GLU A 8 2.608 -6.770 4.626 1.00 0.00 C ATOM 126 O GLU A 8 3.138 -6.122 3.725 1.00 0.00 O ATOM 127 CB GLU A 8 1.801 -9.121 4.214 1.00 0.00 C ATOM 128 CG GLU A 8 1.722 -8.902 2.701 1.00 0.00 C ATOM 129 CD GLU A 8 3.084 -9.141 2.043 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.498 -10.287 1.979 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.697 -8.172 1.622 1.00 0.00 O ATOM 0 H GLU A 8 2.194 -9.065 6.618 1.00 0.00 H new ATOM 0 HA GLU A 8 3.851 -8.477 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.997 -10.172 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.843 -8.877 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.982 -9.576 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.387 -7.886 2.493 1.00 0.00 H new ATOM 138 N ARG A 9 1.759 -6.259 5.508 1.00 0.00 N ATOM 139 CA ARG A 9 1.355 -4.874 5.508 1.00 0.00 C ATOM 140 C ARG A 9 2.509 -3.956 5.862 1.00 0.00 C ATOM 141 O ARG A 9 2.559 -2.856 5.368 1.00 0.00 O ATOM 142 CB ARG A 9 0.190 -4.665 6.481 1.00 0.00 C ATOM 143 CG ARG A 9 -1.092 -5.237 5.862 1.00 0.00 C ATOM 144 CD ARG A 9 -2.194 -5.350 6.914 1.00 0.00 C ATOM 145 NE ARG A 9 -2.663 -4.023 7.302 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.952 -3.736 8.565 1.00 0.00 C ATOM 147 NH1 ARG A 9 -1.997 -3.639 9.445 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.190 -3.555 8.923 1.00 0.00 N ATOM 0 H ARG A 9 1.330 -6.810 6.251 1.00 0.00 H new ATOM 0 HA ARG A 9 1.029 -4.621 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.401 -5.157 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.064 -3.603 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.425 -4.596 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.889 -6.219 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.024 -5.935 6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.818 -5.880 7.789 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.771 -3.302 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.027 -3.784 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.219 -3.418 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.937 -3.634 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.413 -3.334 9.894 1.00 0.00 H new ATOM 162 N VAL A 10 3.424 -4.405 6.727 1.00 0.00 N ATOM 163 CA VAL A 10 4.562 -3.561 7.125 1.00 0.00 C ATOM 164 C VAL A 10 5.402 -3.292 5.912 1.00 0.00 C ATOM 165 O VAL A 10 5.812 -2.167 5.623 1.00 0.00 O ATOM 166 CB VAL A 10 5.508 -4.237 8.134 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.565 -3.208 8.589 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.755 -4.786 9.347 1.00 0.00 C ATOM 0 H VAL A 10 3.404 -5.329 7.159 1.00 0.00 H new ATOM 0 HA VAL A 10 4.132 -2.668 7.579 1.00 0.00 H new ATOM 0 HB VAL A 10 5.987 -5.084 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.242 -3.674 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.132 -2.863 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.068 -2.360 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.461 -5.254 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.242 -3.970 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.025 -5.525 9.018 1.00 0.00 H new ATOM 178 N ILE A 11 5.672 -4.377 5.230 1.00 0.00 N ATOM 179 CA ILE A 11 6.477 -4.339 4.055 1.00 0.00 C ATOM 180 C ILE A 11 5.797 -3.479 3.014 1.00 0.00 C ATOM 181 O ILE A 11 6.400 -2.582 2.442 1.00 0.00 O ATOM 182 CB ILE A 11 6.610 -5.769 3.540 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.272 -6.649 4.616 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.437 -5.789 2.256 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.091 -8.125 4.244 1.00 0.00 C ATOM 0 H ILE A 11 5.336 -5.307 5.481 1.00 0.00 H new ATOM 0 HA ILE A 11 7.460 -3.920 4.269 1.00 0.00 H new ATOM 0 HB ILE A 11 5.618 -6.164 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.332 -6.410 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.826 -6.450 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.526 -6.814 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.946 -5.180 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.430 -5.387 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.558 -8.752 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.028 -8.358 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.558 -8.317 3.278 1.00 0.00 H new ATOM 197 N ALA A 12 4.525 -3.781 2.800 1.00 0.00 N ATOM 198 CA ALA A 12 3.713 -3.082 1.825 1.00 0.00 C ATOM 199 C ALA A 12 3.421 -1.648 2.213 1.00 0.00 C ATOM 200 O ALA A 12 3.639 -0.756 1.414 1.00 0.00 O ATOM 201 CB ALA A 12 2.411 -3.833 1.708 1.00 0.00 C ATOM 0 H ALA A 12 4.030 -4.519 3.300 1.00 0.00 H new ATOM 0 HA ALA A 12 4.261 -3.045 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.769 -3.337 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.608 -4.854 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.914 -3.852 2.678 1.00 0.00 H new ATOM 207 N ILE A 13 2.968 -1.416 3.442 1.00 0.00 N ATOM 208 CA ILE A 13 2.676 -0.068 3.887 1.00 0.00 C ATOM 209 C ILE A 13 3.939 0.753 3.770 1.00 0.00 C ATOM 210 O ILE A 13 3.908 1.913 3.396 1.00 0.00 O ATOM 211 CB ILE A 13 2.173 -0.063 5.344 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.598 1.326 5.665 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.328 -0.407 6.307 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.980 1.764 7.078 1.00 0.00 C ATOM 0 H ILE A 13 2.798 -2.142 4.138 1.00 0.00 H new ATOM 0 HA ILE A 13 1.888 0.357 3.265 1.00 0.00 H new ATOM 0 HB ILE A 13 1.394 -0.815 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.969 2.053 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.513 1.305 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.960 -0.400 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.719 -1.396 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.122 0.332 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.561 2.750 7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.587 1.048 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.066 1.807 7.165 1.00 0.00 H new ATOM 226 N GLY A 14 5.051 0.103 4.065 1.00 0.00 N ATOM 227 CA GLY A 14 6.332 0.729 3.977 1.00 0.00 C ATOM 228 C GLY A 14 6.581 1.123 2.525 1.00 0.00 C ATOM 229 O GLY A 14 7.107 2.201 2.250 1.00 0.00 O ATOM 0 H GLY A 14 5.078 -0.870 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.368 1.609 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.110 0.049 4.323 1.00 0.00 H new ATOM 233 N GLU A 15 6.158 0.246 1.589 1.00 0.00 N ATOM 234 CA GLU A 15 6.311 0.535 0.168 1.00 0.00 C ATOM 235 C GLU A 15 5.344 1.635 -0.269 1.00 0.00 C ATOM 236 O GLU A 15 5.697 2.535 -1.032 1.00 0.00 O ATOM 237 CB GLU A 15 5.969 -0.704 -0.676 1.00 0.00 C ATOM 238 CG GLU A 15 6.922 -1.885 -0.428 1.00 0.00 C ATOM 239 CD GLU A 15 8.321 -1.410 -0.020 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.026 -0.903 -0.878 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.665 -1.564 1.141 1.00 0.00 O ATOM 0 H GLU A 15 5.717 -0.650 1.798 1.00 0.00 H new ATOM 0 HA GLU A 15 7.346 0.841 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.948 -1.016 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.999 -0.436 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.513 -2.525 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.993 -2.491 -1.331 1.00 0.00 H new ATOM 248 N ILE A 16 4.107 1.499 0.195 1.00 0.00 N ATOM 249 CA ILE A 16 3.020 2.407 -0.147 1.00 0.00 C ATOM 250 C ILE A 16 3.253 3.804 0.436 1.00 0.00 C ATOM 251 O ILE A 16 3.039 4.818 -0.228 1.00 0.00 O ATOM 252 CB ILE A 16 1.706 1.827 0.410 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.626 0.305 0.073 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.502 2.617 -0.110 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.446 -0.119 -0.804 1.00 0.00 C ATOM 0 H ILE A 16 3.828 0.747 0.826 1.00 0.00 H new ATOM 0 HA ILE A 16 2.970 2.504 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 16 1.688 1.925 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.550 0.013 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.579 -0.253 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.416 2.191 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.587 3.658 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.476 2.566 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.488 -1.195 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.489 0.132 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.497 0.403 -1.760 1.00 0.00 H new ATOM 267 N MET A 17 3.671 3.830 1.692 1.00 0.00 N ATOM 268 CA MET A 17 3.926 5.074 2.411 1.00 0.00 C ATOM 269 C MET A 17 5.162 5.798 1.862 1.00 0.00 C ATOM 270 O MET A 17 5.286 7.017 2.001 1.00 0.00 O ATOM 271 CB MET A 17 4.097 4.765 3.907 1.00 0.00 C ATOM 272 CG MET A 17 2.750 4.305 4.493 1.00 0.00 C ATOM 273 SD MET A 17 1.580 5.679 4.600 1.00 0.00 S ATOM 274 CE MET A 17 0.065 4.674 4.564 1.00 0.00 C ATOM 0 H MET A 17 3.844 2.990 2.244 1.00 0.00 H new ATOM 0 HA MET A 17 3.075 5.741 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.850 3.989 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.452 5.651 4.434 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.331 3.515 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.908 3.880 5.484 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.794 5.303 4.798 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.061 4.241 3.572 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.141 3.875 5.301 1.00 0.00 H new ATOM 284 N ARG A 18 6.068 5.040 1.231 1.00 0.00 N ATOM 285 CA ARG A 18 7.287 5.606 0.652 1.00 0.00 C ATOM 286 C ARG A 18 6.944 6.551 -0.494 1.00 0.00 C ATOM 287 O ARG A 18 7.641 7.537 -0.741 1.00 0.00 O ATOM 288 CB ARG A 18 8.169 4.462 0.132 1.00 0.00 C ATOM 289 CG ARG A 18 9.462 5.012 -0.481 1.00 0.00 C ATOM 290 CD ARG A 18 10.246 3.864 -1.119 1.00 0.00 C ATOM 291 NE ARG A 18 11.530 4.343 -1.624 1.00 0.00 N ATOM 292 CZ ARG A 18 11.614 5.028 -2.759 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.366 6.307 -2.769 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.943 4.420 -3.863 1.00 0.00 N ATOM 0 H ARG A 18 5.977 4.031 1.110 1.00 0.00 H new ATOM 0 HA ARG A 18 7.820 6.170 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.409 3.781 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.623 3.885 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.230 5.769 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.065 5.497 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.408 3.074 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.667 3.428 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 18 12.380 4.148 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.107 6.783 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.431 6.832 -3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.136 3.418 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.008 4.945 -4.735 1.00 0.00 H new ATOM 308 N LEU A 19 5.874 6.201 -1.195 1.00 0.00 N ATOM 309 CA LEU A 19 5.399 6.947 -2.351 1.00 0.00 C ATOM 310 C LEU A 19 5.294 8.453 -2.068 1.00 0.00 C ATOM 311 O LEU A 19 4.436 8.890 -1.298 1.00 0.00 O ATOM 312 CB LEU A 19 4.051 6.362 -2.764 1.00 0.00 C ATOM 313 CG LEU A 19 4.208 4.835 -2.898 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.882 4.171 -3.244 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.253 4.530 -3.973 1.00 0.00 C ATOM 0 H LEU A 19 5.306 5.383 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 19 6.118 6.850 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.289 6.602 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.723 6.795 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 19 4.537 4.431 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.026 3.094 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.156 4.377 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.513 4.566 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.368 3.451 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.928 4.949 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.208 4.972 -3.688 1.00 0.00 H new ATOM 327 N PRO A 20 6.176 9.244 -2.661 1.00 0.00 N ATOM 328 CA PRO A 20 6.215 10.724 -2.458 1.00 0.00 C ATOM 329 C PRO A 20 5.118 11.488 -3.202 1.00 0.00 C ATOM 330 O PRO A 20 4.932 12.681 -2.950 1.00 0.00 O ATOM 331 CB PRO A 20 7.582 11.159 -3.018 1.00 0.00 C ATOM 332 CG PRO A 20 8.258 9.936 -3.554 1.00 0.00 C ATOM 333 CD PRO A 20 7.232 8.811 -3.590 1.00 0.00 C ATOM 0 HA PRO A 20 6.060 10.947 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.455 11.903 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.187 11.621 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.652 10.125 -4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.104 9.661 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.839 8.664 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.671 7.863 -3.278 1.00 0.00 H new ATOM 341 N ASN A 21 4.431 10.836 -4.147 1.00 0.00 N ATOM 342 CA ASN A 21 3.410 11.548 -4.929 1.00 0.00 C ATOM 343 C ASN A 21 2.029 11.427 -4.303 1.00 0.00 C ATOM 344 O ASN A 21 1.449 12.427 -3.882 1.00 0.00 O ATOM 345 CB ASN A 21 3.394 11.043 -6.383 1.00 0.00 C ATOM 346 CG ASN A 21 4.813 11.093 -6.953 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.574 12.012 -6.651 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.215 10.165 -7.766 1.00 0.00 N ATOM 0 H ASN A 21 4.555 9.852 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 21 3.675 12.605 -4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.010 10.023 -6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.726 11.658 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.158 10.199 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.588 9.402 -8.019 1.00 0.00 H new ATOM 355 N LEU A 22 1.516 10.204 -4.265 1.00 0.00 N ATOM 356 CA LEU A 22 0.186 9.914 -3.717 1.00 0.00 C ATOM 357 C LEU A 22 -0.195 10.787 -2.538 1.00 0.00 C ATOM 358 O LEU A 22 0.646 11.155 -1.713 1.00 0.00 O ATOM 359 CB LEU A 22 0.138 8.471 -3.244 1.00 0.00 C ATOM 360 CG LEU A 22 0.268 7.549 -4.438 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.827 6.218 -3.973 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.106 7.345 -5.063 1.00 0.00 C ATOM 0 H LEU A 22 2.007 9.380 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.518 10.113 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.943 8.282 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.799 8.278 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 22 0.938 7.985 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.925 5.546 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.806 6.373 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.153 5.777 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.019 6.682 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.777 6.900 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.506 8.307 -5.385 1.00 0.00 H new ATOM 374 N ASN A 23 -1.492 11.039 -2.434 1.00 0.00 N ATOM 375 CA ASN A 23 -2.021 11.795 -1.319 1.00 0.00 C ATOM 376 C ASN A 23 -2.235 10.810 -0.195 1.00 0.00 C ATOM 377 O ASN A 23 -2.333 9.607 -0.444 1.00 0.00 O ATOM 378 CB ASN A 23 -3.335 12.485 -1.709 1.00 0.00 C ATOM 379 CG ASN A 23 -4.220 11.529 -2.502 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.873 10.670 -1.923 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.267 11.621 -3.802 1.00 0.00 N ATOM 0 H ASN A 23 -2.192 10.730 -3.109 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.333 12.584 -1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.859 12.818 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.124 13.374 -2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.848 10.977 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.722 12.337 -4.283 1.00 0.00 H new ATOM 388 N SER A 24 -2.278 11.295 1.031 1.00 0.00 N ATOM 389 CA SER A 24 -2.442 10.400 2.161 1.00 0.00 C ATOM 390 C SER A 24 -3.618 9.464 1.960 1.00 0.00 C ATOM 391 O SER A 24 -3.559 8.323 2.362 1.00 0.00 O ATOM 392 CB SER A 24 -2.645 11.175 3.447 1.00 0.00 C ATOM 393 OG SER A 24 -3.766 12.041 3.315 1.00 0.00 O ATOM 0 H SER A 24 -2.203 12.284 1.268 1.00 0.00 H new ATOM 0 HA SER A 24 -1.527 9.813 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.802 10.486 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.751 11.754 3.678 1.00 0.00 H new ATOM 0 HG SER A 24 -3.895 12.539 4.149 1.00 0.00 H new ATOM 399 N LEU A 25 -4.678 9.944 1.335 1.00 0.00 N ATOM 400 CA LEU A 25 -5.848 9.112 1.114 1.00 0.00 C ATOM 401 C LEU A 25 -5.507 7.942 0.240 1.00 0.00 C ATOM 402 O LEU A 25 -5.842 6.828 0.579 1.00 0.00 O ATOM 403 CB LEU A 25 -6.945 9.905 0.437 1.00 0.00 C ATOM 404 CG LEU A 25 -7.251 11.193 1.208 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.258 12.308 0.843 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.648 11.643 0.816 1.00 0.00 C ATOM 0 H LEU A 25 -4.754 10.895 0.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.190 8.761 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.645 10.150 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.847 9.297 0.366 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.172 10.999 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.500 13.210 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.245 11.988 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.323 12.518 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.898 12.560 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.683 11.826 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.367 10.866 1.075 1.00 0.00 H new ATOM 418 N GLN A 26 -4.823 8.200 -0.869 1.00 0.00 N ATOM 419 CA GLN A 26 -4.426 7.131 -1.759 1.00 0.00 C ATOM 420 C GLN A 26 -3.459 6.231 -1.048 1.00 0.00 C ATOM 421 O GLN A 26 -3.577 5.016 -1.080 1.00 0.00 O ATOM 422 CB GLN A 26 -3.752 7.688 -2.987 1.00 0.00 C ATOM 423 CG GLN A 26 -4.808 8.231 -3.941 1.00 0.00 C ATOM 424 CD GLN A 26 -5.587 7.080 -4.578 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.771 6.899 -4.298 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.985 6.285 -5.418 1.00 0.00 N ATOM 0 H GLN A 26 -4.537 9.133 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.316 6.577 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.058 8.480 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.167 6.911 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.491 8.888 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.333 8.832 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.003 6.436 -5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.496 5.512 -5.844 1.00 0.00 H new ATOM 435 N VAL A 27 -2.527 6.871 -0.369 1.00 0.00 N ATOM 436 CA VAL A 27 -1.526 6.178 0.399 1.00 0.00 C ATOM 437 C VAL A 27 -2.231 5.285 1.409 1.00 0.00 C ATOM 438 O VAL A 27 -1.887 4.120 1.593 1.00 0.00 O ATOM 439 CB VAL A 27 -0.676 7.254 1.104 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.116 6.684 2.270 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.299 7.885 0.104 1.00 0.00 C ATOM 0 H VAL A 27 -2.447 7.887 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.884 5.552 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.364 8.005 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.700 7.478 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.570 6.260 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.787 5.905 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.897 8.644 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.956 7.114 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.262 8.346 -0.710 1.00 0.00 H new ATOM 451 N VAL A 28 -3.245 5.862 2.026 1.00 0.00 N ATOM 452 CA VAL A 28 -4.070 5.160 2.999 1.00 0.00 C ATOM 453 C VAL A 28 -4.990 4.160 2.328 1.00 0.00 C ATOM 454 O VAL A 28 -5.291 3.099 2.873 1.00 0.00 O ATOM 455 CB VAL A 28 -4.820 6.136 3.882 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.612 5.343 4.924 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.776 6.999 4.594 1.00 0.00 C ATOM 0 H VAL A 28 -3.522 6.831 1.869 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.410 4.585 3.649 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.502 6.755 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.158 6.032 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.317 4.682 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.926 4.749 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.278 7.717 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.125 6.362 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.179 7.533 3.854 1.00 0.00 H new ATOM 467 N ALA A 29 -5.439 4.534 1.143 1.00 0.00 N ATOM 468 CA ALA A 29 -6.337 3.723 0.351 1.00 0.00 C ATOM 469 C ALA A 29 -5.724 2.371 0.191 1.00 0.00 C ATOM 470 O ALA A 29 -6.393 1.339 0.231 1.00 0.00 O ATOM 471 CB ALA A 29 -6.451 4.344 -1.029 1.00 0.00 C ATOM 0 H ALA A 29 -5.186 5.418 0.702 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.314 3.657 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.125 3.746 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.843 5.357 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.467 4.375 -1.496 1.00 0.00 H new ATOM 477 N PHE A 30 -4.422 2.410 0.036 1.00 0.00 N ATOM 478 CA PHE A 30 -3.661 1.240 -0.100 1.00 0.00 C ATOM 479 C PHE A 30 -3.588 0.524 1.205 1.00 0.00 C ATOM 480 O PHE A 30 -3.725 -0.689 1.220 1.00 0.00 O ATOM 481 CB PHE A 30 -2.294 1.627 -0.547 1.00 0.00 C ATOM 482 CG PHE A 30 -2.336 1.848 -2.011 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.626 0.788 -2.860 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.145 3.121 -2.512 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.705 1.005 -4.220 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.237 3.351 -3.864 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.511 2.288 -4.735 1.00 0.00 C ATOM 0 H PHE A 30 -3.878 3.272 0.003 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.121 0.574 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.967 2.532 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.577 0.844 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.789 -0.201 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.923 3.937 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.917 0.182 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.098 4.349 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.572 2.460 -5.799 1.00 0.00 H new ATOM 497 N ILE A 31 -3.416 1.279 2.310 1.00 0.00 N ATOM 498 CA ILE A 31 -3.367 0.619 3.612 1.00 0.00 C ATOM 499 C ILE A 31 -4.644 -0.188 3.745 1.00 0.00 C ATOM 500 O ILE A 31 -4.658 -1.307 4.266 1.00 0.00 O ATOM 501 CB ILE A 31 -3.359 1.600 4.792 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.187 2.569 4.720 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.250 0.807 6.108 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.363 3.614 5.830 1.00 0.00 C ATOM 0 H ILE A 31 -3.314 2.294 2.323 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.450 0.030 3.649 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.285 2.174 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.244 2.036 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.153 3.053 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.244 1.499 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.102 0.133 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.327 0.227 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.534 4.321 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.301 4.148 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.379 3.116 6.799 1.00 0.00 H new ATOM 516 N ASN A 32 -5.717 0.425 3.249 1.00 0.00 N ATOM 517 CA ASN A 32 -7.033 -0.180 3.282 1.00 0.00 C ATOM 518 C ASN A 32 -7.120 -1.400 2.376 1.00 0.00 C ATOM 519 O ASN A 32 -7.769 -2.384 2.722 1.00 0.00 O ATOM 520 CB ASN A 32 -8.062 0.872 2.864 1.00 0.00 C ATOM 521 CG ASN A 32 -8.494 1.695 4.072 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.211 1.201 4.941 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.094 2.932 4.180 1.00 0.00 N ATOM 0 H ASN A 32 -5.692 1.349 2.817 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.236 -0.525 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.636 1.526 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.929 0.386 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.376 3.491 4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.499 3.341 3.459 1.00 0.00 H new ATOM 530 N SER A 33 -6.469 -1.341 1.224 1.00 0.00 N ATOM 531 CA SER A 33 -6.496 -2.459 0.306 1.00 0.00 C ATOM 532 C SER A 33 -5.714 -3.642 0.880 1.00 0.00 C ATOM 533 O SER A 33 -6.078 -4.797 0.658 1.00 0.00 O ATOM 534 CB SER A 33 -5.912 -2.037 -1.028 1.00 0.00 C ATOM 535 OG SER A 33 -6.495 -0.806 -1.436 1.00 0.00 O ATOM 0 H SER A 33 -5.923 -0.539 0.909 1.00 0.00 H new ATOM 0 HA SER A 33 -7.530 -2.773 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.831 -1.929 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.099 -2.806 -1.778 1.00 0.00 H new ATOM 0 HG SER A 33 -6.241 -0.099 -0.806 1.00 0.00 H new ATOM 541 N LEU A 34 -4.629 -3.342 1.606 1.00 0.00 N ATOM 542 CA LEU A 34 -3.787 -4.412 2.200 1.00 0.00 C ATOM 543 C LEU A 34 -4.620 -5.316 3.102 1.00 0.00 C ATOM 544 O LEU A 34 -4.520 -6.535 3.033 1.00 0.00 O ATOM 545 CB LEU A 34 -2.639 -3.872 3.080 1.00 0.00 C ATOM 546 CG LEU A 34 -1.976 -2.622 2.502 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.694 -2.307 3.276 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.619 -2.829 1.034 1.00 0.00 C ATOM 0 H LEU A 34 -4.311 -2.392 1.799 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.372 -4.947 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.027 -3.644 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.887 -4.651 3.203 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.681 -1.796 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.227 -1.415 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.935 -2.133 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.005 -3.148 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.148 -1.927 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.928 -3.667 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.525 -3.041 0.466 1.00 0.00 H new ATOM 560 N ARG A 35 -5.436 -4.706 3.955 1.00 0.00 N ATOM 561 CA ARG A 35 -6.282 -5.477 4.866 1.00 0.00 C ATOM 562 C ARG A 35 -7.399 -6.149 4.090 1.00 0.00 C ATOM 563 O ARG A 35 -7.791 -7.277 4.392 1.00 0.00 O ATOM 564 CB ARG A 35 -6.833 -4.590 5.980 1.00 0.00 C ATOM 565 CG ARG A 35 -7.637 -3.423 5.400 1.00 0.00 C ATOM 566 CD ARG A 35 -8.137 -2.517 6.531 1.00 0.00 C ATOM 567 NE ARG A 35 -9.018 -1.477 5.999 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.097 -1.779 5.282 1.00 0.00 C ATOM 569 NH1 ARG A 35 -11.073 -2.451 5.822 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.174 -1.406 4.040 1.00 0.00 N ATOM 0 H ARG A 35 -5.531 -3.694 4.037 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.677 -6.252 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.467 -5.181 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.012 -4.206 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.016 -2.850 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.483 -3.803 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.671 -3.111 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.289 -2.059 7.041 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.800 -0.498 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.011 -2.747 6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.900 -2.682 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.408 -0.883 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.001 -1.637 3.489 1.00 0.00 H new ATOM 584 N ASP A 36 -7.866 -5.460 3.055 1.00 0.00 N ATOM 585 CA ASP A 36 -8.894 -5.994 2.188 1.00 0.00 C ATOM 586 C ASP A 36 -8.306 -7.175 1.425 1.00 0.00 C ATOM 587 O ASP A 36 -9.036 -8.029 0.916 1.00 0.00 O ATOM 588 CB ASP A 36 -9.375 -4.905 1.213 1.00 0.00 C ATOM 589 CG ASP A 36 -10.132 -3.788 1.950 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.610 -4.024 3.052 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.227 -2.707 1.393 1.00 0.00 O ATOM 0 H ASP A 36 -7.543 -4.527 2.800 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.752 -6.324 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.519 -4.481 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.024 -5.350 0.459 1.00 0.00 H new ATOM 596 N ASP A 37 -6.966 -7.201 1.361 1.00 0.00 N ATOM 597 CA ASP A 37 -6.247 -8.265 0.664 1.00 0.00 C ATOM 598 C ASP A 37 -4.729 -8.150 0.896 1.00 0.00 C ATOM 599 O ASP A 37 -4.045 -7.395 0.197 1.00 0.00 O ATOM 600 CB ASP A 37 -6.541 -8.187 -0.840 1.00 0.00 C ATOM 601 CG ASP A 37 -6.217 -9.523 -1.520 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.215 -10.129 -1.167 1.00 0.00 O ATOM 603 OD2 ASP A 37 -6.976 -9.920 -2.387 1.00 0.00 O ATOM 0 H ASP A 37 -6.364 -6.495 1.785 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.586 -9.223 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.590 -7.936 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.950 -7.390 -1.291 1.00 0.00 H new ATOM 608 N PRO A 38 -4.188 -8.878 1.856 1.00 0.00 N ATOM 609 CA PRO A 38 -2.726 -8.846 2.162 1.00 0.00 C ATOM 610 C PRO A 38 -1.912 -9.554 1.085 1.00 0.00 C ATOM 611 O PRO A 38 -0.785 -9.163 0.786 1.00 0.00 O ATOM 612 CB PRO A 38 -2.586 -9.566 3.510 1.00 0.00 C ATOM 613 CG PRO A 38 -3.961 -9.974 3.933 1.00 0.00 C ATOM 614 CD PRO A 38 -4.899 -9.806 2.740 1.00 0.00 C ATOM 0 HA PRO A 38 -2.348 -7.824 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.937 -10.437 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.133 -8.909 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.962 -11.009 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.298 -9.363 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.091 -10.759 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.865 -9.405 3.046 1.00 0.00 H new ATOM 622 N SER A 39 -2.509 -10.589 0.493 1.00 0.00 N ATOM 623 CA SER A 39 -1.855 -11.342 -0.568 1.00 0.00 C ATOM 624 C SER A 39 -1.605 -10.421 -1.745 1.00 0.00 C ATOM 625 O SER A 39 -0.637 -10.588 -2.490 1.00 0.00 O ATOM 626 CB SER A 39 -2.735 -12.517 -1.002 1.00 0.00 C ATOM 627 OG SER A 39 -3.114 -13.269 0.143 1.00 0.00 O ATOM 0 H SER A 39 -3.443 -10.922 0.733 1.00 0.00 H new ATOM 0 HA SER A 39 -0.907 -11.736 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.621 -12.150 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.194 -13.151 -1.705 1.00 0.00 H new ATOM 0 HG SER A 39 -3.679 -14.021 -0.132 1.00 0.00 H new ATOM 633 N GLN A 40 -2.494 -9.438 -1.892 1.00 0.00 N ATOM 634 CA GLN A 40 -2.388 -8.470 -2.964 1.00 0.00 C ATOM 635 C GLN A 40 -1.750 -7.179 -2.470 1.00 0.00 C ATOM 636 O GLN A 40 -1.755 -6.181 -3.183 1.00 0.00 O ATOM 637 CB GLN A 40 -3.772 -8.189 -3.562 1.00 0.00 C ATOM 638 CG GLN A 40 -4.337 -9.476 -4.179 1.00 0.00 C ATOM 639 CD GLN A 40 -3.488 -9.915 -5.370 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.412 -9.211 -6.375 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.833 -11.041 -5.310 1.00 0.00 N ATOM 0 H GLN A 40 -3.295 -9.298 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.747 -8.888 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.445 -7.818 -2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.700 -7.411 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.359 -10.267 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.366 -9.312 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.897 -11.624 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.257 -11.338 -6.097 1.00 0.00 H new ATOM 650 N SER A 41 -1.169 -7.206 -1.262 1.00 0.00 N ATOM 651 CA SER A 41 -0.508 -6.017 -0.724 1.00 0.00 C ATOM 652 C SER A 41 0.522 -5.563 -1.743 1.00 0.00 C ATOM 653 O SER A 41 0.676 -4.382 -2.006 1.00 0.00 O ATOM 654 CB SER A 41 0.182 -6.339 0.617 1.00 0.00 C ATOM 655 OG SER A 41 1.306 -7.171 0.367 1.00 0.00 O ATOM 0 H SER A 41 -1.145 -8.023 -0.652 1.00 0.00 H new ATOM 0 HA SER A 41 -1.241 -5.231 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.496 -5.419 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.515 -6.839 1.289 1.00 0.00 H new ATOM 0 HG SER A 41 2.098 -6.614 0.213 1.00 0.00 H new ATOM 661 N ALA A 42 1.186 -6.553 -2.334 1.00 0.00 N ATOM 662 CA ALA A 42 2.184 -6.333 -3.358 1.00 0.00 C ATOM 663 C ALA A 42 1.575 -5.718 -4.615 1.00 0.00 C ATOM 664 O ALA A 42 2.187 -4.866 -5.245 1.00 0.00 O ATOM 665 CB ALA A 42 2.824 -7.667 -3.724 1.00 0.00 C ATOM 0 H ALA A 42 1.040 -7.537 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 42 2.927 -5.640 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.578 -7.509 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.294 -8.100 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.059 -8.347 -4.098 1.00 0.00 H new ATOM 671 N ASN A 43 0.365 -6.160 -4.964 1.00 0.00 N ATOM 672 CA ASN A 43 -0.342 -5.660 -6.137 1.00 0.00 C ATOM 673 C ASN A 43 -0.799 -4.246 -5.887 1.00 0.00 C ATOM 674 O ASN A 43 -0.861 -3.409 -6.780 1.00 0.00 O ATOM 675 CB ASN A 43 -1.573 -6.517 -6.351 1.00 0.00 C ATOM 676 CG ASN A 43 -2.156 -6.325 -7.752 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.691 -5.485 -8.525 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.158 -7.067 -8.122 1.00 0.00 N ATOM 0 H ASN A 43 -0.147 -6.871 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 43 0.318 -5.691 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.317 -7.566 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.327 -6.265 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.560 -6.954 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.542 -7.762 -7.482 1.00 0.00 H new ATOM 685 N LEU A 44 -1.154 -4.033 -4.647 1.00 0.00 N ATOM 686 CA LEU A 44 -1.644 -2.757 -4.185 1.00 0.00 C ATOM 687 C LEU A 44 -0.526 -1.774 -4.127 1.00 0.00 C ATOM 688 O LEU A 44 -0.617 -0.676 -4.641 1.00 0.00 O ATOM 689 CB LEU A 44 -2.247 -2.983 -2.823 1.00 0.00 C ATOM 690 CG LEU A 44 -3.487 -3.833 -3.029 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.953 -4.468 -1.718 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.549 -2.932 -3.622 1.00 0.00 C ATOM 0 H LEU A 44 -1.111 -4.747 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.394 -2.350 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.538 -3.486 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.502 -2.034 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.275 -4.663 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.843 -5.070 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.161 -5.103 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.187 -3.685 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.461 -3.505 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.755 -2.111 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.196 -2.530 -4.572 1.00 0.00 H new ATOM 704 N LEU A 45 0.550 -2.220 -3.548 1.00 0.00 N ATOM 705 CA LEU A 45 1.741 -1.423 -3.468 1.00 0.00 C ATOM 706 C LEU A 45 2.269 -1.265 -4.883 1.00 0.00 C ATOM 707 O LEU A 45 2.783 -0.214 -5.258 1.00 0.00 O ATOM 708 CB LEU A 45 2.694 -2.088 -2.475 1.00 0.00 C ATOM 709 CG LEU A 45 3.862 -2.748 -3.160 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.830 -1.648 -3.579 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.504 -3.720 -2.165 1.00 0.00 C ATOM 0 H LEU A 45 0.628 -3.142 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 45 1.580 -0.416 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.062 -1.341 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.149 -2.831 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 45 3.564 -3.309 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.690 -2.092 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.328 -0.962 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.165 -1.103 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.355 -4.213 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.843 -3.170 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.771 -4.469 -1.864 1.00 0.00 H new ATOM 723 N ALA A 46 2.050 -2.307 -5.680 1.00 0.00 N ATOM 724 CA ALA A 46 2.421 -2.268 -7.089 1.00 0.00 C ATOM 725 C ALA A 46 1.580 -1.200 -7.749 1.00 0.00 C ATOM 726 O ALA A 46 2.085 -0.361 -8.496 1.00 0.00 O ATOM 727 CB ALA A 46 2.115 -3.595 -7.779 1.00 0.00 C ATOM 0 H ALA A 46 1.621 -3.181 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 46 3.489 -2.068 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.403 -3.534 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.676 -4.395 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.048 -3.805 -7.707 1.00 0.00 H new ATOM 733 N GLU A 47 0.284 -1.223 -7.414 1.00 0.00 N ATOM 734 CA GLU A 47 -0.646 -0.253 -7.922 1.00 0.00 C ATOM 735 C GLU A 47 -0.246 1.104 -7.425 1.00 0.00 C ATOM 736 O GLU A 47 -0.276 2.070 -8.148 1.00 0.00 O ATOM 737 CB GLU A 47 -2.037 -0.572 -7.388 1.00 0.00 C ATOM 738 CG GLU A 47 -2.895 -1.297 -8.437 1.00 0.00 C ATOM 739 CD GLU A 47 -2.886 -0.585 -9.799 1.00 0.00 C ATOM 740 OE1 GLU A 47 -2.830 0.635 -9.825 1.00 0.00 O ATOM 741 OE2 GLU A 47 -2.951 -1.278 -10.800 1.00 0.00 O ATOM 0 H GLU A 47 -0.129 -1.914 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.647 -0.274 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.951 -1.192 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.532 0.351 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.528 -2.316 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.921 -1.370 -8.075 1.00 0.00 H new ATOM 748 N ALA A 48 0.130 1.131 -6.163 1.00 0.00 N ATOM 749 CA ALA A 48 0.549 2.344 -5.502 1.00 0.00 C ATOM 750 C ALA A 48 1.717 2.963 -6.238 1.00 0.00 C ATOM 751 O ALA A 48 1.726 4.158 -6.500 1.00 0.00 O ATOM 752 CB ALA A 48 0.949 2.022 -4.076 1.00 0.00 C ATOM 0 H ALA A 48 0.153 0.305 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.276 3.056 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.266 2.935 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.098 1.593 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.771 1.306 -4.081 1.00 0.00 H new ATOM 758 N LYS A 49 2.678 2.130 -6.607 1.00 0.00 N ATOM 759 CA LYS A 49 3.823 2.610 -7.363 1.00 0.00 C ATOM 760 C LYS A 49 3.339 3.094 -8.721 1.00 0.00 C ATOM 761 O LYS A 49 3.817 4.102 -9.240 1.00 0.00 O ATOM 762 CB LYS A 49 4.870 1.499 -7.523 1.00 0.00 C ATOM 763 CG LYS A 49 5.559 1.258 -6.174 1.00 0.00 C ATOM 764 CD LYS A 49 6.641 0.182 -6.318 1.00 0.00 C ATOM 765 CE LYS A 49 7.309 -0.055 -4.958 1.00 0.00 C ATOM 766 NZ LYS A 49 7.783 -1.464 -4.871 1.00 0.00 N ATOM 0 H LYS A 49 2.689 1.132 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 49 4.297 3.433 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.395 0.582 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.606 1.782 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.004 2.186 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.823 0.948 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.201 -0.745 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.385 0.494 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.147 0.630 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.603 0.152 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.694 -1.800 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.207 -2.063 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.779 -1.514 -5.165 1.00 0.00 H new ATOM 780 N LYS A 50 2.340 2.388 -9.260 1.00 0.00 N ATOM 781 CA LYS A 50 1.738 2.766 -10.530 1.00 0.00 C ATOM 782 C LYS A 50 0.926 4.043 -10.345 1.00 0.00 C ATOM 783 O LYS A 50 0.873 4.889 -11.223 1.00 0.00 O ATOM 784 CB LYS A 50 0.858 1.616 -11.051 1.00 0.00 C ATOM 785 CG LYS A 50 1.741 0.576 -11.769 1.00 0.00 C ATOM 786 CD LYS A 50 1.232 -0.855 -11.504 1.00 0.00 C ATOM 787 CE LYS A 50 -0.179 -1.046 -12.066 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.125 -1.105 -13.555 1.00 0.00 N ATOM 0 H LYS A 50 1.936 1.554 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 50 2.517 2.957 -11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.326 1.147 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.104 2.003 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.743 0.773 -12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.771 0.669 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.910 -1.577 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.230 -1.052 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.616 -1.963 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.821 -0.225 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.051 -1.402 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.113 -0.165 -13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.601 -1.789 -13.849 1.00 0.00 H new ATOM 802 N LEU A 51 0.311 4.149 -9.168 1.00 0.00 N ATOM 803 CA LEU A 51 -0.511 5.287 -8.780 1.00 0.00 C ATOM 804 C LEU A 51 0.352 6.511 -8.565 1.00 0.00 C ATOM 805 O LEU A 51 0.031 7.614 -9.000 1.00 0.00 O ATOM 806 CB LEU A 51 -1.179 4.960 -7.444 1.00 0.00 C ATOM 807 CG LEU A 51 -2.637 4.526 -7.593 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.475 5.707 -8.108 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.732 3.293 -8.521 1.00 0.00 C ATOM 0 H LEU A 51 0.373 3.431 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.242 5.482 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.619 4.167 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.131 5.836 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.039 4.231 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.515 5.397 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.413 6.533 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.092 6.030 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.775 2.992 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.332 3.545 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.156 2.471 -8.095 1.00 0.00 H new ATOM 821 N ASN A 52 1.448 6.274 -7.863 1.00 0.00 N ATOM 822 CA ASN A 52 2.401 7.305 -7.533 1.00 0.00 C ATOM 823 C ASN A 52 2.922 7.911 -8.814 1.00 0.00 C ATOM 824 O ASN A 52 2.961 9.132 -8.983 1.00 0.00 O ATOM 825 CB ASN A 52 3.533 6.648 -6.729 1.00 0.00 C ATOM 826 CG ASN A 52 4.560 7.670 -6.260 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.306 8.425 -5.326 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.720 7.726 -6.852 1.00 0.00 N ATOM 0 H ASN A 52 1.697 5.352 -7.506 1.00 0.00 H new ATOM 0 HA ASN A 52 1.949 8.100 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.113 6.132 -5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.025 5.894 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.420 8.399 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.928 7.097 -7.628 1.00 0.00 H new ATOM 835 N ASP A 53 3.290 7.024 -9.718 1.00 0.00 N ATOM 836 CA ASP A 53 3.789 7.405 -11.010 1.00 0.00 C ATOM 837 C ASP A 53 2.680 7.970 -11.903 1.00 0.00 C ATOM 838 O ASP A 53 2.913 8.887 -12.693 1.00 0.00 O ATOM 839 CB ASP A 53 4.415 6.176 -11.683 1.00 0.00 C ATOM 840 CG ASP A 53 5.617 5.647 -10.880 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.137 6.373 -10.041 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.999 4.513 -11.118 1.00 0.00 O ATOM 0 H ASP A 53 3.248 6.016 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 53 4.534 8.188 -10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.665 5.390 -11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.735 6.436 -12.692 1.00 0.00 H new ATOM 847 N ALA A 54 1.489 7.371 -11.802 1.00 0.00 N ATOM 848 CA ALA A 54 0.349 7.765 -12.642 1.00 0.00 C ATOM 849 C ALA A 54 -0.280 9.090 -12.257 1.00 0.00 C ATOM 850 O ALA A 54 -0.682 9.864 -13.129 1.00 0.00 O ATOM 851 CB ALA A 54 -0.739 6.718 -12.506 1.00 0.00 C ATOM 0 H ALA A 54 1.288 6.613 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 54 0.744 7.859 -13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.592 6.997 -13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.356 5.751 -12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.052 6.652 -11.464 1.00 0.00 H new ATOM 857 N GLN A 55 -0.397 9.337 -10.962 1.00 0.00 N ATOM 858 CA GLN A 55 -1.020 10.558 -10.500 1.00 0.00 C ATOM 859 C GLN A 55 -0.039 11.694 -10.540 1.00 0.00 C ATOM 860 O GLN A 55 -0.364 12.798 -10.986 1.00 0.00 O ATOM 861 CB GLN A 55 -1.496 10.389 -9.065 1.00 0.00 C ATOM 862 CG GLN A 55 -2.666 9.411 -8.979 1.00 0.00 C ATOM 863 CD GLN A 55 -3.164 9.358 -7.537 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.146 8.682 -7.241 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.549 10.056 -6.617 1.00 0.00 N ATOM 0 H GLN A 55 -0.072 8.714 -10.223 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.864 10.775 -11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.673 10.030 -8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.798 11.356 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.470 9.727 -9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.353 8.419 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.734 10.617 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.885 10.039 -5.654 1.00 0.00 H new ATOM 874 N ALA A 56 1.154 11.402 -10.030 1.00 0.00 N ATOM 875 CA ALA A 56 2.225 12.394 -9.941 1.00 0.00 C ATOM 876 C ALA A 56 1.638 13.777 -9.582 1.00 0.00 C ATOM 877 O ALA A 56 1.900 14.764 -10.276 1.00 0.00 O ATOM 878 CB ALA A 56 2.988 12.454 -11.268 1.00 0.00 C ATOM 0 H ALA A 56 1.406 10.482 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 56 2.921 12.104 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.785 13.194 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.419 11.477 -11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.304 12.734 -12.069 1.00 0.00 H new