USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 125:sc= 1.32 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 1.5 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.293 (180deg=-0.862) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.26 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.135) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.977 (180deg=-1.4!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 180:sc= 0.065 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 2.22 (180deg=2.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0445) USER MOD Single : A 40 GLN : amide:sc= -0.0042 X(o=-0.0042,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0545 K(o=-0.054,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 145:sc= 0.32 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.085 X(o=-0.085,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 61:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.398 -4.915 -4.575 1.00 0.78 N ATOM 2 CA MET A 1 12.370 -4.943 -3.096 1.00 0.70 C ATOM 3 C MET A 1 11.021 -5.376 -2.635 1.00 0.62 C ATOM 4 O MET A 1 10.047 -4.843 -3.166 1.00 0.68 O ATOM 5 CB MET A 1 12.545 -3.503 -2.585 1.00 0.75 C ATOM 6 CG MET A 1 12.428 -3.253 -1.080 1.00 0.79 C ATOM 7 SD MET A 1 12.769 -1.542 -0.569 1.00 1.10 S ATOM 8 CE MET A 1 11.110 -1.419 0.159 1.00 0.84 C ATOM 0 H1 MET A 1 13.380 -5.002 -4.905 1.00 0.78 H new ATOM 0 H2 MET A 1 11.836 -5.707 -4.948 1.00 0.78 H new ATOM 0 H3 MET A 1 11.997 -4.017 -4.913 1.00 0.78 H new ATOM 0 HA MET A 1 13.150 -5.614 -2.735 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.526 -3.152 -2.906 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.804 -2.879 -3.085 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.422 -3.521 -0.757 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.117 -3.918 -0.560 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.079 -0.580 0.855 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.376 -1.262 -0.632 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.877 -2.341 0.692 1.00 0.84 H new ATOM 20 N GLN A 2 10.890 -6.330 -1.696 1.00 0.59 N ATOM 21 CA GLN A 2 9.623 -6.894 -1.349 1.00 0.56 C ATOM 22 C GLN A 2 8.895 -6.113 -0.311 1.00 0.50 C ATOM 23 O GLN A 2 9.557 -5.774 0.669 1.00 0.60 O ATOM 24 CB GLN A 2 9.790 -8.338 -0.845 1.00 0.71 C ATOM 25 CG GLN A 2 10.315 -9.179 -2.011 1.00 1.15 C ATOM 26 CD GLN A 2 10.532 -10.612 -1.545 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.438 -10.986 -0.803 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.696 -11.585 -1.997 1.00 1.72 N ATOM 0 H GLN A 2 11.675 -6.715 -1.170 1.00 0.59 H new ATOM 0 HA GLN A 2 9.031 -6.871 -2.264 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.484 -8.372 -0.005 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.838 -8.731 -0.488 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.605 -9.158 -2.838 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.250 -8.761 -2.383 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.922 -11.345 -2.617 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.843 -12.555 -1.716 1.00 1.72 H new ATOM 37 N ILE A 3 7.583 -5.831 -0.417 1.00 0.44 N ATOM 38 CA ILE A 3 6.785 -5.258 0.622 1.00 0.42 C ATOM 39 C ILE A 3 5.565 -6.102 0.758 1.00 0.40 C ATOM 40 O ILE A 3 5.137 -6.727 -0.212 1.00 0.50 O ATOM 41 CB ILE A 3 6.408 -3.833 0.341 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.557 -3.673 -0.930 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.705 -3.010 0.271 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.089 -2.229 -1.103 1.00 0.72 C ATOM 0 H ILE A 3 7.054 -6.012 -1.270 1.00 0.44 H new ATOM 0 HA ILE A 3 7.361 -5.238 1.547 1.00 0.42 H new ATOM 0 HB ILE A 3 5.771 -3.468 1.147 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.138 -3.976 -1.801 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.692 -4.335 -0.878 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.463 -1.967 0.067 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.233 -3.081 1.222 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.339 -3.398 -0.526 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.490 -2.147 -2.010 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.487 -1.936 -0.243 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.956 -1.572 -1.180 1.00 0.72 H new ATOM 56 N PHE A 4 4.930 -6.155 1.943 1.00 0.37 N ATOM 57 CA PHE A 4 3.732 -6.933 2.000 1.00 0.38 C ATOM 58 C PHE A 4 2.551 -6.073 2.293 1.00 0.39 C ATOM 59 O PHE A 4 2.504 -5.378 3.307 1.00 0.60 O ATOM 60 CB PHE A 4 3.698 -7.823 3.253 1.00 0.45 C ATOM 61 CG PHE A 4 5.025 -8.435 3.540 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.519 -9.413 2.708 1.00 1.30 C ATOM 63 CD2 PHE A 4 5.810 -8.006 4.584 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.798 -9.905 2.829 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.041 -8.586 4.779 1.00 1.23 C ATOM 66 CZ PHE A 4 7.532 -9.557 3.938 1.00 0.85 C ATOM 0 H PHE A 4 5.219 -5.695 2.806 1.00 0.37 H new ATOM 0 HA PHE A 4 3.709 -7.464 1.048 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.380 -7.230 4.110 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.957 -8.611 3.118 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.880 -9.809 1.932 1.00 1.30 H new ATOM 0 HD2 PHE A 4 5.464 -7.223 5.243 1.00 1.16 H new ATOM 0 HE1 PHE A 4 7.216 -10.550 2.070 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.641 -8.269 5.619 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.477 -10.037 4.145 1.00 0.85 H new ATOM 76 N VAL A 5 1.498 -6.034 1.458 1.00 0.35 N ATOM 77 CA VAL A 5 0.288 -5.296 1.644 1.00 0.35 C ATOM 78 C VAL A 5 -0.824 -6.175 2.105 1.00 0.35 C ATOM 79 O VAL A 5 -1.280 -7.054 1.377 1.00 0.46 O ATOM 80 CB VAL A 5 -0.183 -4.467 0.487 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.240 -3.444 0.939 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.020 -3.670 -0.045 1.00 0.56 C ATOM 0 H VAL A 5 1.494 -6.561 0.584 1.00 0.35 H new ATOM 0 HA VAL A 5 0.566 -4.577 2.415 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.612 -5.127 -0.267 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.566 -2.855 0.082 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.095 -3.969 1.365 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.809 -2.783 1.691 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.705 -3.057 -0.889 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.409 -3.028 0.745 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.799 -4.360 -0.368 1.00 0.56 H new ATOM 92 N LYS A 6 -1.211 -6.020 3.385 1.00 0.36 N ATOM 93 CA LYS A 6 -2.162 -6.851 4.055 1.00 0.39 C ATOM 94 C LYS A 6 -3.525 -6.301 3.813 1.00 0.46 C ATOM 95 O LYS A 6 -3.845 -5.135 4.039 1.00 0.53 O ATOM 96 CB LYS A 6 -1.934 -6.814 5.576 1.00 0.54 C ATOM 97 CG LYS A 6 -0.518 -7.237 5.974 1.00 1.22 C ATOM 98 CD LYS A 6 -0.252 -7.255 7.480 1.00 1.37 C ATOM 99 CE LYS A 6 -1.317 -7.835 8.412 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.769 -9.193 8.035 1.00 2.09 N ATOM 0 H LYS A 6 -0.842 -5.279 3.981 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.056 -7.869 3.681 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.123 -5.805 5.943 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.655 -7.471 6.063 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.326 -8.232 5.574 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.194 -6.560 5.502 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.670 -7.813 7.645 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.063 -6.228 7.794 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.921 -7.863 9.427 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.178 -7.167 8.424 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.776 -9.165 7.777 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.213 -9.531 7.223 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.635 -9.839 8.839 1.00 2.09 H new ATOM 114 N THR A 7 -4.462 -7.051 3.204 1.00 0.58 N ATOM 115 CA THR A 7 -5.817 -6.627 3.040 1.00 0.78 C ATOM 116 C THR A 7 -6.638 -6.798 4.272 1.00 0.94 C ATOM 117 O THR A 7 -6.223 -7.353 5.288 1.00 0.99 O ATOM 118 CB THR A 7 -6.429 -7.207 1.798 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.768 -8.570 2.002 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.320 -7.116 0.736 1.00 0.92 C ATOM 0 H THR A 7 -4.272 -7.975 2.816 1.00 0.58 H new ATOM 0 HA THR A 7 -5.803 -5.548 2.886 1.00 0.78 H new ATOM 0 HB THR A 7 -7.339 -6.680 1.511 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.592 -8.779 1.514 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.686 -7.521 -0.208 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.034 -6.073 0.597 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.453 -7.689 1.065 1.00 0.92 H new ATOM 128 N LEU A 8 -7.863 -6.248 4.334 1.00 1.17 N ATOM 129 CA LEU A 8 -8.874 -6.569 5.294 1.00 1.39 C ATOM 130 C LEU A 8 -9.500 -7.895 5.031 1.00 1.44 C ATOM 131 O LEU A 8 -9.996 -8.586 5.920 1.00 1.60 O ATOM 132 CB LEU A 8 -10.009 -5.533 5.355 1.00 1.66 C ATOM 133 CG LEU A 8 -9.547 -4.073 5.489 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.735 -3.116 5.297 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.986 -3.900 6.911 1.00 2.43 C ATOM 0 H LEU A 8 -8.167 -5.534 3.672 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.342 -6.578 6.245 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.615 -5.626 4.453 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.655 -5.773 6.199 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.795 -3.845 4.733 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.392 -2.086 5.395 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.164 -3.263 4.306 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.492 -3.320 6.054 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.646 -2.873 7.046 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.766 -4.123 7.639 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.148 -4.581 7.057 1.00 2.43 H new ATOM 147 N THR A 9 -9.476 -8.316 3.753 1.00 1.41 N ATOM 148 CA THR A 9 -10.177 -9.465 3.272 1.00 1.51 C ATOM 149 C THR A 9 -9.509 -10.733 3.681 1.00 1.37 C ATOM 150 O THR A 9 -10.208 -11.734 3.830 1.00 1.62 O ATOM 151 CB THR A 9 -10.385 -9.451 1.787 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.135 -9.366 1.117 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.237 -8.247 1.353 1.00 2.08 C ATOM 0 H THR A 9 -8.946 -7.835 3.026 1.00 1.41 H new ATOM 0 HA THR A 9 -11.161 -9.419 3.739 1.00 1.51 H new ATOM 0 HB THR A 9 -10.900 -10.375 1.525 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.283 -9.359 0.148 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.369 -8.266 0.271 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.212 -8.297 1.839 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.735 -7.323 1.641 1.00 2.08 H new ATOM 161 N GLY A 10 -8.167 -10.756 3.764 1.00 1.18 N ATOM 162 CA GLY A 10 -7.501 -11.942 4.208 1.00 1.22 C ATOM 163 C GLY A 10 -6.220 -12.283 3.528 1.00 0.99 C ATOM 164 O GLY A 10 -5.612 -13.251 3.984 1.00 1.31 O ATOM 0 H GLY A 10 -7.555 -9.974 3.530 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.304 -11.843 5.275 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.185 -12.782 4.087 1.00 1.22 H new ATOM 168 N LYS A 11 -5.870 -11.558 2.451 1.00 0.73 N ATOM 169 CA LYS A 11 -4.744 -11.818 1.608 1.00 0.60 C ATOM 170 C LYS A 11 -3.601 -10.947 2.002 1.00 0.51 C ATOM 171 O LYS A 11 -3.747 -9.772 2.336 1.00 0.63 O ATOM 172 CB LYS A 11 -4.975 -11.569 0.108 1.00 0.75 C ATOM 173 CG LYS A 11 -6.255 -12.268 -0.356 1.00 0.87 C ATOM 174 CD LYS A 11 -6.513 -12.073 -1.852 1.00 1.04 C ATOM 175 CE LYS A 11 -5.438 -12.623 -2.792 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.828 -12.250 -4.170 1.00 1.40 N ATOM 0 H LYS A 11 -6.404 -10.743 2.151 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.549 -12.881 1.747 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.048 -10.498 -0.083 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.124 -11.938 -0.464 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.184 -13.334 -0.138 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -7.103 -11.882 0.210 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.463 -12.545 -2.102 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.627 -11.006 -2.046 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.461 -12.209 -2.543 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.359 -13.706 -2.694 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.975 -12.146 -4.756 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.436 -12.992 -4.572 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.347 -11.349 -4.152 1.00 1.40 H new ATOM 190 N THR A 12 -2.397 -11.543 2.059 1.00 0.49 N ATOM 191 CA THR A 12 -1.175 -10.816 2.210 1.00 0.48 C ATOM 192 C THR A 12 -0.377 -10.925 0.956 1.00 0.52 C ATOM 193 O THR A 12 0.424 -11.838 0.761 1.00 0.72 O ATOM 194 CB THR A 12 -0.261 -11.360 3.268 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.872 -11.202 4.541 1.00 0.77 O ATOM 196 CG2 THR A 12 0.980 -10.466 3.422 1.00 0.78 C ATOM 0 H THR A 12 -2.270 -12.553 1.999 1.00 0.49 H new ATOM 0 HA THR A 12 -1.486 -9.804 2.469 1.00 0.48 H new ATOM 0 HB THR A 12 -0.035 -12.388 2.985 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.279 -11.558 5.235 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.631 -10.877 4.194 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.520 -10.426 2.476 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.671 -9.460 3.706 1.00 0.78 H new ATOM 204 N ILE A 13 -0.536 -9.885 0.118 1.00 0.48 N ATOM 205 CA ILE A 13 0.055 -9.831 -1.183 1.00 0.55 C ATOM 206 C ILE A 13 1.391 -9.173 -1.198 1.00 0.51 C ATOM 207 O ILE A 13 1.617 -8.117 -0.609 1.00 0.56 O ATOM 208 CB ILE A 13 -0.856 -9.301 -2.251 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.257 -7.829 -2.063 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.095 -10.214 -2.236 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.295 -7.364 -3.083 1.00 1.55 C ATOM 0 H ILE A 13 -1.090 -9.061 0.351 1.00 0.48 H new ATOM 0 HA ILE A 13 0.225 -10.876 -1.442 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.335 -9.314 -3.209 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.655 -7.691 -1.058 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.369 -7.202 -2.143 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.802 -9.880 -2.995 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.793 -11.240 -2.447 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.568 -10.169 -1.255 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.540 -6.317 -2.902 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.890 -7.473 -4.089 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.196 -7.969 -2.987 1.00 1.55 H new ATOM 223 N THR A 14 2.429 -9.848 -1.723 1.00 0.55 N ATOM 224 CA THR A 14 3.784 -9.399 -1.642 1.00 0.54 C ATOM 225 C THR A 14 4.007 -8.587 -2.871 1.00 0.55 C ATOM 226 O THR A 14 4.092 -9.142 -3.966 1.00 0.72 O ATOM 227 CB THR A 14 4.759 -10.523 -1.452 1.00 0.67 C ATOM 228 OG1 THR A 14 4.560 -11.392 -0.347 1.00 1.08 O ATOM 229 CG2 THR A 14 6.169 -9.922 -1.334 1.00 1.03 C ATOM 0 H THR A 14 2.322 -10.733 -2.219 1.00 0.55 H new ATOM 0 HA THR A 14 3.958 -8.790 -0.755 1.00 0.54 H new ATOM 0 HB THR A 14 4.607 -11.157 -2.326 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.260 -12.078 -0.340 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.895 -10.723 -1.195 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.407 -9.370 -2.244 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.206 -9.246 -0.480 1.00 1.03 H new ATOM 237 N LEU A 15 4.150 -7.251 -2.819 1.00 0.50 N ATOM 238 CA LEU A 15 4.430 -6.518 -4.014 1.00 0.55 C ATOM 239 C LEU A 15 5.908 -6.365 -4.134 1.00 0.52 C ATOM 240 O LEU A 15 6.617 -6.203 -3.141 1.00 0.58 O ATOM 241 CB LEU A 15 3.914 -5.077 -3.872 1.00 0.69 C ATOM 242 CG LEU A 15 2.395 -4.974 -3.649 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.100 -3.478 -3.447 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.483 -5.565 -4.738 1.00 1.55 C ATOM 0 H LEU A 15 4.074 -6.689 -1.971 1.00 0.50 H new ATOM 0 HA LEU A 15 3.974 -7.041 -4.855 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.426 -4.599 -3.037 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.178 -4.518 -4.770 1.00 0.69 H new ATOM 0 HG LEU A 15 2.153 -5.597 -2.788 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.032 -3.337 -3.283 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.652 -3.112 -2.581 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.407 -2.924 -4.334 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.440 -5.425 -4.455 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.673 -5.060 -5.685 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.689 -6.630 -4.847 1.00 1.55 H new ATOM 256 N GLU A 16 6.400 -6.225 -5.378 1.00 0.59 N ATOM 257 CA GLU A 16 7.713 -5.779 -5.729 1.00 0.63 C ATOM 258 C GLU A 16 7.790 -4.310 -5.969 1.00 0.65 C ATOM 259 O GLU A 16 7.142 -3.841 -6.901 1.00 0.81 O ATOM 260 CB GLU A 16 8.123 -6.497 -7.026 1.00 0.76 C ATOM 261 CG GLU A 16 8.129 -8.026 -7.089 1.00 1.41 C ATOM 262 CD GLU A 16 8.464 -8.543 -8.481 1.00 1.52 C ATOM 263 OE1 GLU A 16 7.776 -8.285 -9.503 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.436 -9.344 -8.523 1.00 1.95 O ATOM 0 H GLU A 16 5.836 -6.440 -6.200 1.00 0.59 H new ATOM 0 HA GLU A 16 8.374 -6.007 -4.893 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.459 -6.143 -7.815 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.128 -6.159 -7.279 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.855 -8.414 -6.375 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.152 -8.404 -6.788 1.00 1.41 H new ATOM 271 N VAL A 17 8.622 -3.537 -5.247 1.00 0.61 N ATOM 272 CA VAL A 17 8.733 -2.141 -5.539 1.00 0.63 C ATOM 273 C VAL A 17 10.175 -1.771 -5.487 1.00 0.65 C ATOM 274 O VAL A 17 11.055 -2.518 -5.063 1.00 0.76 O ATOM 275 CB VAL A 17 7.888 -1.369 -4.570 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.386 -1.662 -4.715 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.290 -1.650 -3.111 1.00 0.92 C ATOM 0 H VAL A 17 9.205 -3.868 -4.479 1.00 0.61 H new ATOM 0 HA VAL A 17 8.365 -1.901 -6.536 1.00 0.63 H new ATOM 0 HB VAL A 17 8.068 -0.322 -4.815 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.828 -1.073 -3.987 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.059 -1.399 -5.721 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.204 -2.722 -4.540 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.654 -1.072 -2.441 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.170 -2.712 -2.899 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.331 -1.365 -2.959 1.00 0.92 H new ATOM 287 N GLU A 18 10.529 -0.530 -5.867 1.00 0.68 N ATOM 288 CA GLU A 18 11.795 0.042 -5.527 1.00 0.74 C ATOM 289 C GLU A 18 11.557 1.299 -4.765 1.00 0.71 C ATOM 290 O GLU A 18 10.464 1.843 -4.908 1.00 0.74 O ATOM 291 CB GLU A 18 12.500 0.477 -6.823 1.00 0.88 C ATOM 292 CG GLU A 18 13.045 -0.676 -7.668 1.00 1.16 C ATOM 293 CD GLU A 18 13.983 -0.003 -8.659 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.529 0.844 -9.475 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.234 -0.103 -8.545 1.00 2.35 O ATOM 0 H GLU A 18 9.929 0.084 -6.417 1.00 0.68 H new ATOM 0 HA GLU A 18 12.380 -0.683 -4.960 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.799 1.053 -7.427 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.323 1.144 -6.567 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.572 -1.405 -7.053 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.243 -1.209 -8.178 1.00 1.16 H new ATOM 302 N PRO A 19 12.409 1.811 -3.925 1.00 0.74 N ATOM 303 CA PRO A 19 12.105 2.934 -3.087 1.00 0.74 C ATOM 304 C PRO A 19 11.826 4.236 -3.756 1.00 0.70 C ATOM 305 O PRO A 19 11.255 5.148 -3.161 1.00 0.74 O ATOM 306 CB PRO A 19 13.192 2.926 -2.016 1.00 0.86 C ATOM 307 CG PRO A 19 14.389 2.176 -2.622 1.00 0.95 C ATOM 308 CD PRO A 19 13.725 1.252 -3.656 1.00 0.82 C ATOM 0 HA PRO A 19 11.116 2.820 -2.642 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.471 3.942 -1.737 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.842 2.432 -1.110 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.100 2.858 -3.087 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.936 1.611 -1.867 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.319 1.201 -4.569 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.643 0.235 -3.272 1.00 0.82 H new ATOM 316 N SER A 20 12.251 4.354 -5.027 1.00 0.70 N ATOM 317 CA SER A 20 12.016 5.544 -5.785 1.00 0.74 C ATOM 318 C SER A 20 10.738 5.578 -6.550 1.00 0.71 C ATOM 319 O SER A 20 10.447 6.439 -7.379 1.00 0.80 O ATOM 320 CB SER A 20 13.129 5.853 -6.800 1.00 0.89 C ATOM 321 OG SER A 20 14.393 5.948 -6.160 1.00 1.45 O ATOM 0 H SER A 20 12.757 3.625 -5.530 1.00 0.70 H new ATOM 0 HA SER A 20 11.979 6.292 -4.993 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.160 5.071 -7.559 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.907 6.788 -7.314 1.00 0.89 H new ATOM 0 HG SER A 20 15.084 6.143 -6.827 1.00 1.45 H new ATOM 327 N ASP A 21 9.850 4.588 -6.349 1.00 0.70 N ATOM 328 CA ASP A 21 8.520 4.430 -6.849 1.00 0.73 C ATOM 329 C ASP A 21 7.604 5.245 -6.003 1.00 0.64 C ATOM 330 O ASP A 21 7.884 5.455 -4.823 1.00 0.66 O ATOM 331 CB ASP A 21 8.035 2.969 -6.851 1.00 0.87 C ATOM 332 CG ASP A 21 8.852 2.054 -7.751 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.506 2.535 -8.714 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.787 0.815 -7.531 1.00 1.50 O ATOM 0 H ASP A 21 10.103 3.797 -5.757 1.00 0.70 H new ATOM 0 HA ASP A 21 8.520 4.760 -7.888 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.066 2.584 -5.832 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.993 2.942 -7.170 1.00 0.87 H new ATOM 339 N THR A 22 6.550 5.783 -6.642 1.00 0.63 N ATOM 340 CA THR A 22 5.551 6.448 -5.863 1.00 0.58 C ATOM 341 C THR A 22 4.660 5.506 -5.129 1.00 0.53 C ATOM 342 O THR A 22 4.567 4.353 -5.547 1.00 0.58 O ATOM 343 CB THR A 22 4.697 7.516 -6.480 1.00 0.63 C ATOM 344 OG1 THR A 22 3.781 6.978 -7.421 1.00 0.70 O ATOM 345 CG2 THR A 22 5.610 8.476 -7.261 1.00 0.75 C ATOM 0 H THR A 22 6.391 5.762 -7.649 1.00 0.63 H new ATOM 0 HA THR A 22 6.221 6.998 -5.202 1.00 0.58 H new ATOM 0 HB THR A 22 4.150 8.010 -5.677 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.240 7.701 -7.801 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.007 9.261 -7.718 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.334 8.924 -6.580 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.137 7.924 -8.039 1.00 0.75 H new ATOM 353 N ILE A 23 3.896 5.996 -4.136 1.00 0.51 N ATOM 354 CA ILE A 23 2.988 5.191 -3.381 1.00 0.48 C ATOM 355 C ILE A 23 1.757 4.994 -4.197 1.00 0.48 C ATOM 356 O ILE A 23 1.156 3.921 -4.150 1.00 0.51 O ATOM 357 CB ILE A 23 2.775 5.765 -2.011 1.00 0.52 C ATOM 358 CG1 ILE A 23 4.082 5.890 -1.210 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.835 4.864 -1.193 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.938 6.489 0.189 1.00 0.73 C ATOM 0 H ILE A 23 3.910 6.975 -3.852 1.00 0.51 H new ATOM 0 HA ILE A 23 3.394 4.199 -3.182 1.00 0.48 H new ATOM 0 HB ILE A 23 2.350 6.756 -2.167 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.529 4.900 -1.119 1.00 0.60 H new ATOM 0 HG13 ILE A 23 4.780 6.503 -1.779 1.00 0.60 H new ATOM 0 HG21 ILE A 23 1.690 5.294 -0.202 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.873 4.787 -1.699 1.00 0.61 H new ATOM 0 HG23 ILE A 23 2.275 3.871 -1.097 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.916 6.533 0.668 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.525 7.495 0.113 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.270 5.867 0.784 1.00 0.73 H new ATOM 372 N GLU A 24 1.322 5.996 -4.982 1.00 0.50 N ATOM 373 CA GLU A 24 0.390 5.809 -6.051 1.00 0.53 C ATOM 374 C GLU A 24 0.650 4.675 -6.982 1.00 0.50 C ATOM 375 O GLU A 24 -0.201 3.839 -7.278 1.00 0.55 O ATOM 376 CB GLU A 24 0.152 7.108 -6.838 1.00 0.64 C ATOM 377 CG GLU A 24 -1.085 7.149 -7.738 1.00 0.95 C ATOM 378 CD GLU A 24 -1.308 8.506 -8.389 1.00 1.05 C ATOM 379 OE1 GLU A 24 -1.388 9.467 -7.578 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.418 8.624 -9.639 1.00 1.56 O ATOM 0 H GLU A 24 1.627 6.963 -4.870 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.519 5.518 -5.524 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.082 7.930 -6.125 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.029 7.297 -7.457 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.986 6.392 -8.516 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.964 6.887 -7.149 1.00 0.95 H new ATOM 387 N ASN A 25 1.899 4.411 -7.407 1.00 0.51 N ATOM 388 CA ASN A 25 2.407 3.347 -8.216 1.00 0.52 C ATOM 389 C ASN A 25 2.275 2.021 -7.551 1.00 0.47 C ATOM 390 O ASN A 25 2.006 0.997 -8.178 1.00 0.53 O ATOM 391 CB ASN A 25 3.848 3.565 -8.707 1.00 0.64 C ATOM 392 CG ASN A 25 4.087 2.838 -10.022 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.777 3.332 -11.104 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.855 1.716 -9.971 1.00 1.57 N ATOM 0 H ASN A 25 2.657 5.039 -7.141 1.00 0.51 H new ATOM 0 HA ASN A 25 1.775 3.353 -9.104 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.035 4.631 -8.836 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.551 3.207 -7.955 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.178 1.279 -10.834 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.108 1.312 -9.069 1.00 1.57 H new ATOM 401 N VAL A 26 2.502 2.006 -6.225 1.00 0.45 N ATOM 402 CA VAL A 26 2.279 0.796 -5.495 1.00 0.44 C ATOM 403 C VAL A 26 0.848 0.400 -5.368 1.00 0.40 C ATOM 404 O VAL A 26 0.542 -0.790 -5.296 1.00 0.44 O ATOM 405 CB VAL A 26 2.862 1.066 -4.139 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.605 0.017 -3.045 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.375 1.293 -4.292 1.00 0.62 C ATOM 0 H VAL A 26 2.828 2.800 -5.674 1.00 0.45 H new ATOM 0 HA VAL A 26 2.737 -0.041 -6.022 1.00 0.44 H new ATOM 0 HB VAL A 26 2.333 1.948 -3.779 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.080 0.335 -2.117 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.532 -0.087 -2.886 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.020 -0.942 -3.355 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.814 1.491 -3.314 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.835 0.404 -4.723 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.550 2.146 -4.948 1.00 0.62 H new ATOM 417 N LYS A 27 -0.133 1.320 -5.377 1.00 0.40 N ATOM 418 CA LYS A 27 -1.516 0.971 -5.483 1.00 0.41 C ATOM 419 C LYS A 27 -1.860 0.446 -6.834 1.00 0.38 C ATOM 420 O LYS A 27 -2.707 -0.421 -7.045 1.00 0.42 O ATOM 421 CB LYS A 27 -2.337 2.234 -5.175 1.00 0.51 C ATOM 422 CG LYS A 27 -2.108 2.871 -3.804 1.00 0.76 C ATOM 423 CD LYS A 27 -2.656 4.292 -3.659 1.00 0.82 C ATOM 424 CE LYS A 27 -4.105 4.232 -3.170 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.863 5.500 -3.077 1.00 1.11 N ATOM 0 H LYS A 27 0.037 2.324 -5.310 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.742 0.173 -4.775 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.119 2.979 -5.940 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.394 1.985 -5.265 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.568 2.240 -3.044 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.037 2.887 -3.600 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.046 4.858 -2.955 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.605 4.812 -4.615 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.653 3.564 -3.834 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -4.105 3.771 -2.182 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.814 5.309 -2.701 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.365 6.157 -2.443 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.944 5.926 -4.022 1.00 1.11 H new ATOM 439 N ALA A 28 -1.134 0.927 -7.858 1.00 0.39 N ATOM 440 CA ALA A 28 -1.290 0.413 -9.184 1.00 0.39 C ATOM 441 C ALA A 28 -0.766 -0.978 -9.280 1.00 0.36 C ATOM 442 O ALA A 28 -1.362 -1.743 -10.036 1.00 0.42 O ATOM 443 CB ALA A 28 -0.521 1.204 -10.256 1.00 0.51 C ATOM 0 H ALA A 28 -0.441 1.670 -7.769 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.362 0.480 -9.369 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.690 0.752 -11.233 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.872 2.236 -10.268 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.545 1.185 -10.027 1.00 0.51 H new ATOM 449 N LYS A 29 0.211 -1.403 -8.459 1.00 0.39 N ATOM 450 CA LYS A 29 0.604 -2.777 -8.448 1.00 0.43 C ATOM 451 C LYS A 29 -0.427 -3.632 -7.796 1.00 0.44 C ATOM 452 O LYS A 29 -0.674 -4.782 -8.159 1.00 0.54 O ATOM 453 CB LYS A 29 1.963 -2.948 -7.748 1.00 0.54 C ATOM 454 CG LYS A 29 3.145 -2.222 -8.391 1.00 0.65 C ATOM 455 CD LYS A 29 3.360 -2.429 -9.892 1.00 1.08 C ATOM 456 CE LYS A 29 2.863 -1.368 -10.876 1.00 1.24 C ATOM 457 NZ LYS A 29 3.737 -1.359 -12.069 1.00 1.44 N ATOM 0 H LYS A 29 0.723 -0.804 -7.811 1.00 0.39 H new ATOM 0 HA LYS A 29 0.702 -3.100 -9.484 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.865 -2.601 -6.719 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.196 -4.012 -7.705 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.024 -1.154 -8.211 1.00 0.65 H new ATOM 0 HG3 LYS A 29 4.053 -2.531 -7.874 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.431 -2.550 -10.055 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.887 -3.373 -10.163 1.00 1.08 H new ATOM 0 HE2 LYS A 29 1.834 -1.579 -11.167 1.00 1.24 H new ATOM 0 HE3 LYS A 29 2.865 -0.386 -10.402 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 3.401 -0.639 -12.740 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.712 -1.138 -11.783 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 3.713 -2.294 -12.524 1.00 1.44 H new ATOM 471 N ILE A 30 -1.128 -3.174 -6.744 1.00 0.41 N ATOM 472 CA ILE A 30 -2.292 -3.845 -6.257 1.00 0.44 C ATOM 473 C ILE A 30 -3.370 -3.934 -7.283 1.00 0.45 C ATOM 474 O ILE A 30 -3.895 -5.015 -7.545 1.00 0.56 O ATOM 475 CB ILE A 30 -2.805 -3.260 -4.974 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.666 -3.153 -3.946 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.913 -4.170 -4.417 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.056 -2.499 -2.621 1.00 1.32 C ATOM 0 H ILE A 30 -0.885 -2.330 -6.226 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.973 -4.863 -6.036 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.201 -2.263 -5.166 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.284 -4.154 -3.742 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.848 -2.584 -4.389 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.292 -3.753 -3.484 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.725 -4.239 -5.140 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.508 -5.165 -4.231 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.189 -2.468 -1.961 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.408 -1.484 -2.806 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.850 -3.078 -2.149 1.00 1.32 H new ATOM 490 N GLN A 31 -3.721 -2.866 -8.023 1.00 0.41 N ATOM 491 CA GLN A 31 -4.665 -2.867 -9.096 1.00 0.48 C ATOM 492 C GLN A 31 -4.390 -3.806 -10.222 1.00 0.52 C ATOM 493 O GLN A 31 -5.215 -4.642 -10.586 1.00 0.66 O ATOM 494 CB GLN A 31 -4.881 -1.477 -9.717 1.00 0.52 C ATOM 495 CG GLN A 31 -6.018 -1.479 -10.740 1.00 0.70 C ATOM 496 CD GLN A 31 -6.328 -0.088 -11.274 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.417 0.737 -11.213 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.565 0.186 -11.768 1.00 1.43 N ATOM 0 H GLN A 31 -3.318 -1.943 -7.860 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.559 -3.216 -8.579 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.103 -0.758 -8.929 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.960 -1.148 -10.198 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.753 -2.132 -11.571 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.914 -1.896 -10.281 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.278 -0.543 -11.791 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.780 1.121 -12.115 1.00 1.43 H new ATOM 507 N ASP A 32 -3.130 -3.838 -10.691 1.00 0.50 N ATOM 508 CA ASP A 32 -2.551 -4.810 -11.566 1.00 0.60 C ATOM 509 C ASP A 32 -2.856 -6.225 -11.217 1.00 0.65 C ATOM 510 O ASP A 32 -3.085 -7.125 -12.023 1.00 0.81 O ATOM 511 CB ASP A 32 -1.052 -4.510 -11.743 1.00 0.67 C ATOM 512 CG ASP A 32 -0.489 -5.207 -12.972 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.112 -5.185 -14.067 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.536 -5.919 -12.801 1.00 1.55 O ATOM 0 H ASP A 32 -2.457 -3.117 -10.433 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.035 -4.709 -12.537 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.903 -3.434 -11.832 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.507 -4.835 -10.857 1.00 0.67 H new ATOM 519 N LYS A 33 -2.830 -6.547 -9.911 1.00 0.62 N ATOM 520 CA LYS A 33 -2.974 -7.873 -9.397 1.00 0.73 C ATOM 521 C LYS A 33 -4.381 -8.302 -9.158 1.00 0.69 C ATOM 522 O LYS A 33 -4.815 -9.371 -9.585 1.00 0.83 O ATOM 523 CB LYS A 33 -2.079 -8.151 -8.177 1.00 0.85 C ATOM 524 CG LYS A 33 -1.911 -9.638 -7.859 1.00 1.31 C ATOM 525 CD LYS A 33 -0.925 -9.879 -6.713 1.00 1.71 C ATOM 526 CE LYS A 33 0.473 -9.341 -7.026 1.00 2.26 C ATOM 527 NZ LYS A 33 1.105 -10.139 -8.101 1.00 2.62 N ATOM 0 H LYS A 33 -2.702 -5.848 -9.179 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.615 -8.503 -10.211 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.096 -7.713 -8.352 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.501 -7.649 -7.307 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -2.880 -10.063 -7.597 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.564 -10.161 -8.750 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.301 -9.403 -5.807 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.863 -10.948 -6.509 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.408 -8.296 -7.330 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.091 -9.374 -6.129 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.089 -9.828 -8.232 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.092 -11.145 -7.839 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.579 -10.005 -8.988 1.00 2.62 H new ATOM 541 N GLU A 34 -5.074 -7.542 -8.291 1.00 0.63 N ATOM 542 CA GLU A 34 -6.319 -7.918 -7.697 1.00 0.67 C ATOM 543 C GLU A 34 -7.432 -7.299 -8.470 1.00 0.69 C ATOM 544 O GLU A 34 -8.591 -7.709 -8.453 1.00 0.95 O ATOM 545 CB GLU A 34 -6.375 -7.392 -6.252 1.00 0.73 C ATOM 546 CG GLU A 34 -5.249 -7.927 -5.367 1.00 0.83 C ATOM 547 CD GLU A 34 -5.367 -9.440 -5.250 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.471 -9.835 -4.788 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.396 -10.176 -5.571 1.00 1.48 O ATOM 0 H GLU A 34 -4.751 -6.622 -7.990 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.412 -9.004 -7.702 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.329 -6.303 -6.268 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.334 -7.664 -5.811 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.281 -7.659 -5.791 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.301 -7.470 -4.379 1.00 0.83 H new ATOM 556 N GLY A 35 -7.235 -6.171 -9.177 1.00 0.63 N ATOM 557 CA GLY A 35 -8.263 -5.502 -9.910 1.00 0.68 C ATOM 558 C GLY A 35 -9.163 -4.614 -9.123 1.00 0.76 C ATOM 559 O GLY A 35 -10.392 -4.679 -9.106 1.00 1.12 O ATOM 0 H GLY A 35 -6.328 -5.709 -9.240 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.793 -4.906 -10.692 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.874 -6.255 -10.407 1.00 0.68 H new ATOM 563 N ILE A 36 -8.479 -3.719 -8.388 1.00 0.70 N ATOM 564 CA ILE A 36 -9.077 -2.785 -7.487 1.00 0.76 C ATOM 565 C ILE A 36 -8.543 -1.420 -7.750 1.00 0.71 C ATOM 566 O ILE A 36 -7.403 -1.129 -7.392 1.00 0.73 O ATOM 567 CB ILE A 36 -8.847 -3.043 -6.027 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.332 -4.446 -5.625 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.534 -2.023 -5.103 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.062 -4.718 -4.146 1.00 1.16 C ATOM 0 H ILE A 36 -7.462 -3.644 -8.424 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.145 -2.890 -7.678 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.769 -2.952 -5.896 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.400 -4.537 -5.826 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.828 -5.197 -6.234 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.323 -2.274 -4.063 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.156 -1.024 -5.319 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.611 -2.048 -5.271 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.415 -5.717 -3.889 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.991 -4.651 -3.953 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.587 -3.981 -3.539 1.00 1.16 H new ATOM 582 N PRO A 37 -9.278 -0.487 -8.279 1.00 0.75 N ATOM 583 CA PRO A 37 -8.752 0.823 -8.529 1.00 0.79 C ATOM 584 C PRO A 37 -8.237 1.668 -7.414 1.00 0.75 C ATOM 585 O PRO A 37 -8.878 1.584 -6.368 1.00 0.75 O ATOM 586 CB PRO A 37 -9.852 1.468 -9.371 1.00 0.95 C ATOM 587 CG PRO A 37 -10.525 0.305 -10.117 1.00 1.02 C ATOM 588 CD PRO A 37 -10.417 -0.849 -9.109 1.00 0.85 C ATOM 0 HA PRO A 37 -7.781 0.725 -9.015 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.567 1.999 -8.743 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.438 2.196 -10.069 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.562 0.530 -10.366 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.015 0.075 -11.053 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.327 -0.948 -8.517 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.258 -1.803 -9.611 1.00 0.85 H new ATOM 596 N PRO A 38 -7.157 2.379 -7.537 1.00 0.81 N ATOM 597 CA PRO A 38 -6.559 3.153 -6.488 1.00 0.85 C ATOM 598 C PRO A 38 -7.443 4.105 -5.759 1.00 0.89 C ATOM 599 O PRO A 38 -7.159 4.303 -4.579 1.00 0.99 O ATOM 600 CB PRO A 38 -5.370 3.916 -7.069 1.00 1.01 C ATOM 601 CG PRO A 38 -5.513 3.704 -8.584 1.00 1.25 C ATOM 602 CD PRO A 38 -6.307 2.395 -8.718 1.00 0.98 C ATOM 0 HA PRO A 38 -6.276 2.423 -5.729 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.405 4.973 -6.807 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.422 3.526 -6.697 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.038 4.536 -9.053 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.539 3.628 -9.068 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.896 2.377 -9.635 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.647 1.528 -8.747 1.00 0.98 H new ATOM 610 N ASP A 39 -8.528 4.676 -6.314 1.00 0.96 N ATOM 611 CA ASP A 39 -9.451 5.441 -5.536 1.00 1.11 C ATOM 612 C ASP A 39 -10.112 4.719 -4.412 1.00 1.00 C ATOM 613 O ASP A 39 -10.386 5.307 -3.368 1.00 1.14 O ATOM 614 CB ASP A 39 -10.507 6.147 -6.402 1.00 1.39 C ATOM 615 CG ASP A 39 -10.092 7.575 -6.726 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.145 8.452 -5.822 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.749 7.930 -7.886 1.00 2.23 O ATOM 0 H ASP A 39 -8.765 4.607 -7.304 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.808 6.185 -5.067 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.653 5.590 -7.327 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.464 6.154 -5.879 1.00 1.39 H new ATOM 622 N GLN A 40 -10.378 3.421 -4.637 1.00 0.87 N ATOM 623 CA GLN A 40 -11.095 2.573 -3.737 1.00 0.84 C ATOM 624 C GLN A 40 -10.170 2.122 -2.658 1.00 0.67 C ATOM 625 O GLN A 40 -10.656 1.270 -1.916 1.00 0.80 O ATOM 626 CB GLN A 40 -11.679 1.373 -4.503 1.00 0.95 C ATOM 627 CG GLN A 40 -12.832 1.835 -5.396 1.00 1.32 C ATOM 628 CD GLN A 40 -13.671 0.743 -6.046 1.00 1.48 C ATOM 629 OE1 GLN A 40 -14.430 0.000 -5.427 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.631 0.710 -7.405 1.00 2.02 N ATOM 0 H GLN A 40 -10.079 2.940 -5.486 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.924 3.119 -3.286 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.903 0.905 -5.109 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.032 0.619 -3.800 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.494 2.464 -4.800 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.421 2.464 -6.186 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -12.999 1.329 -7.912 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.233 0.066 -7.917 1.00 2.02 H new ATOM 639 N GLN A 41 -8.897 2.528 -2.511 1.00 0.56 N ATOM 640 CA GLN A 41 -8.009 2.032 -1.506 1.00 0.51 C ATOM 641 C GLN A 41 -7.168 3.157 -1.007 1.00 0.49 C ATOM 642 O GLN A 41 -6.769 4.089 -1.703 1.00 0.65 O ATOM 643 CB GLN A 41 -7.110 0.898 -2.027 1.00 0.67 C ATOM 644 CG GLN A 41 -6.482 1.205 -3.388 1.00 0.69 C ATOM 645 CD GLN A 41 -5.395 0.209 -3.763 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.356 0.140 -3.108 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.667 -0.528 -4.875 1.00 0.61 N ATOM 0 H GLN A 41 -8.469 3.229 -3.116 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.612 1.616 -0.699 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.318 0.709 -1.303 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.697 -0.017 -2.103 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.258 1.197 -4.153 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.060 2.210 -3.372 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.556 -0.409 -5.361 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.982 -1.199 -5.222 1.00 0.61 H new ATOM 656 N ARG A 42 -6.740 3.086 0.266 1.00 0.47 N ATOM 657 CA ARG A 42 -5.746 3.947 0.827 1.00 0.55 C ATOM 658 C ARG A 42 -4.773 3.040 1.498 1.00 0.46 C ATOM 659 O ARG A 42 -5.189 1.967 1.931 1.00 0.52 O ATOM 660 CB ARG A 42 -6.363 4.881 1.881 1.00 0.73 C ATOM 661 CG ARG A 42 -5.576 6.168 2.141 1.00 1.04 C ATOM 662 CD ARG A 42 -6.336 7.084 3.101 1.00 1.28 C ATOM 663 NE ARG A 42 -5.649 8.405 3.044 1.00 1.69 N ATOM 664 CZ ARG A 42 -6.122 9.478 3.744 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.133 9.359 4.654 1.00 2.34 N ATOM 666 NH2 ARG A 42 -5.453 10.645 3.514 1.00 2.78 N ATOM 0 H ARG A 42 -7.101 2.402 0.931 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.288 4.570 0.059 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.371 5.147 1.564 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.457 4.334 2.819 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -4.600 5.924 2.560 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.398 6.688 1.199 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.381 7.176 2.806 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.324 6.682 4.114 1.00 1.28 H new ATOM 0 HE ARG A 42 -4.811 8.510 2.472 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.558 8.448 4.828 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.463 10.181 5.160 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -4.669 10.663 2.862 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -5.737 11.499 3.994 1.00 2.78 H new ATOM 680 N LEU A 43 -3.471 3.354 1.614 1.00 0.46 N ATOM 681 CA LEU A 43 -2.573 2.524 2.355 1.00 0.42 C ATOM 682 C LEU A 43 -2.183 3.124 3.662 1.00 0.43 C ATOM 683 O LEU A 43 -2.156 4.341 3.843 1.00 0.55 O ATOM 684 CB LEU A 43 -1.276 2.179 1.604 1.00 0.55 C ATOM 685 CG LEU A 43 -1.324 1.868 0.099 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.067 1.572 -0.487 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.185 0.613 -0.122 1.00 1.12 C ATOM 0 H LEU A 43 -3.041 4.179 1.197 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.147 1.611 2.511 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.589 3.014 1.742 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.833 1.316 2.100 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.734 2.748 -0.397 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.025 1.359 -1.552 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.714 2.438 -0.344 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.499 0.709 0.020 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.226 0.383 -1.187 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.746 -0.228 0.414 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.194 0.794 0.249 1.00 1.12 H new ATOM 699 N ILE A 44 -1.909 2.243 4.641 1.00 0.42 N ATOM 700 CA ILE A 44 -1.499 2.671 5.942 1.00 0.46 C ATOM 701 C ILE A 44 -0.251 1.942 6.307 1.00 0.42 C ATOM 702 O ILE A 44 -0.124 0.736 6.103 1.00 0.53 O ATOM 703 CB ILE A 44 -2.549 2.304 6.948 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.960 2.761 6.541 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.247 2.760 8.386 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.063 2.677 7.594 1.00 1.27 C ATOM 0 H ILE A 44 -1.972 1.231 4.531 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.343 3.750 5.936 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.522 1.214 6.949 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.894 3.796 6.206 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.270 2.167 5.682 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.060 2.452 9.044 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.315 2.306 8.723 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.152 3.846 8.411 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.001 3.031 7.167 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.179 1.643 7.918 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.797 3.297 8.450 1.00 1.27 H new ATOM 718 N PHE A 45 0.725 2.724 6.803 1.00 0.42 N ATOM 719 CA PHE A 45 1.994 2.241 7.251 1.00 0.46 C ATOM 720 C PHE A 45 2.080 2.549 8.707 1.00 0.68 C ATOM 721 O PHE A 45 2.092 3.692 9.160 1.00 1.50 O ATOM 722 CB PHE A 45 3.278 2.656 6.513 1.00 0.56 C ATOM 723 CG PHE A 45 4.518 2.026 7.047 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.687 0.661 7.049 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.561 2.891 7.277 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.879 0.119 7.470 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.772 2.333 7.615 1.00 1.33 C ATOM 728 CZ PHE A 45 6.920 0.973 7.750 1.00 1.02 C ATOM 0 H PHE A 45 0.625 3.735 6.896 1.00 0.42 H new ATOM 0 HA PHE A 45 1.987 1.178 7.011 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.178 2.398 5.459 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.381 3.740 6.568 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.885 0.016 6.721 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.435 3.961 7.196 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.994 -0.949 7.578 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.624 2.977 7.778 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.866 0.570 8.080 1.00 1.02 H new ATOM 738 N ALA A 46 2.254 1.543 9.583 1.00 0.81 N ATOM 739 CA ALA A 46 2.464 1.579 10.997 1.00 0.96 C ATOM 740 C ALA A 46 1.344 2.216 11.748 1.00 0.97 C ATOM 741 O ALA A 46 0.525 1.421 12.204 1.00 1.21 O ATOM 742 CB ALA A 46 3.834 2.119 11.438 1.00 1.20 C ATOM 0 H ALA A 46 2.245 0.579 9.250 1.00 0.81 H new ATOM 0 HA ALA A 46 2.473 0.525 11.275 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.897 2.107 12.526 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.623 1.493 11.022 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.955 3.141 11.079 1.00 1.20 H new ATOM 748 N GLY A 47 1.232 3.550 11.879 1.00 0.99 N ATOM 749 CA GLY A 47 0.144 4.223 12.518 1.00 1.10 C ATOM 750 C GLY A 47 -0.516 5.240 11.651 1.00 1.03 C ATOM 751 O GLY A 47 -1.680 5.565 11.886 1.00 1.30 O ATOM 0 H GLY A 47 1.938 4.193 11.520 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.597 3.486 12.829 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.509 4.710 13.423 1.00 1.10 H new ATOM 755 N LYS A 48 0.166 5.834 10.657 1.00 0.98 N ATOM 756 CA LYS A 48 -0.381 6.802 9.758 1.00 1.05 C ATOM 757 C LYS A 48 -0.784 6.331 8.403 1.00 0.84 C ATOM 758 O LYS A 48 -0.357 5.359 7.781 1.00 0.81 O ATOM 759 CB LYS A 48 0.671 7.892 9.490 1.00 1.42 C ATOM 760 CG LYS A 48 1.210 8.638 10.711 1.00 1.61 C ATOM 761 CD LYS A 48 1.953 9.890 10.240 1.00 1.87 C ATOM 762 CE LYS A 48 2.592 10.694 11.374 1.00 2.22 C ATOM 763 NZ LYS A 48 3.789 10.021 11.928 1.00 2.55 N ATOM 0 H LYS A 48 1.148 5.629 10.471 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.285 7.125 10.274 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.513 7.433 8.972 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.238 8.623 8.808 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.391 8.913 11.376 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.880 7.994 11.280 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.729 9.596 9.534 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.257 10.532 9.700 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.870 11.682 11.006 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.861 10.844 12.168 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.190 10.600 12.693 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.521 9.089 12.303 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.498 9.901 11.177 1.00 2.55 H new ATOM 777 N GLN A 49 -1.802 7.026 7.866 1.00 0.84 N ATOM 778 CA GLN A 49 -2.235 6.834 6.516 1.00 0.80 C ATOM 779 C GLN A 49 -1.300 7.432 5.521 1.00 0.72 C ATOM 780 O GLN A 49 -0.853 8.571 5.652 1.00 0.83 O ATOM 781 CB GLN A 49 -3.638 7.422 6.289 1.00 1.03 C ATOM 782 CG GLN A 49 -4.744 6.541 6.874 1.00 1.67 C ATOM 783 CD GLN A 49 -6.122 7.145 7.112 1.00 1.92 C ATOM 784 OE1 GLN A 49 -7.051 6.835 6.367 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.217 8.026 8.142 1.00 2.48 N ATOM 0 H GLN A 49 -2.333 7.732 8.376 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.256 5.755 6.365 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.690 8.413 6.740 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.807 7.549 5.220 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.870 5.686 6.209 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.386 6.153 7.828 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.399 8.231 8.715 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.107 8.483 8.342 1.00 2.48 H new ATOM 794 N LEU A 50 -0.921 6.727 4.441 1.00 0.69 N ATOM 795 CA LEU A 50 0.096 7.159 3.533 1.00 0.66 C ATOM 796 C LEU A 50 -0.360 8.091 2.464 1.00 0.72 C ATOM 797 O LEU A 50 -1.339 7.809 1.773 1.00 0.90 O ATOM 798 CB LEU A 50 0.754 5.957 2.836 1.00 0.65 C ATOM 799 CG LEU A 50 1.620 5.068 3.745 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.201 3.924 2.899 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.780 5.849 4.386 1.00 0.74 C ATOM 0 H LEU A 50 -1.335 5.829 4.191 1.00 0.69 H new ATOM 0 HA LEU A 50 0.795 7.703 4.169 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.028 5.342 2.391 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.373 6.326 2.018 1.00 0.65 H new ATOM 0 HG LEU A 50 0.989 4.689 4.549 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.818 3.283 3.529 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.387 3.338 2.472 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.810 4.339 2.096 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.363 5.180 5.019 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.420 6.258 3.604 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.380 6.663 4.990 1.00 0.74 H new ATOM 813 N GLU A 51 0.255 9.274 2.285 1.00 0.70 N ATOM 814 CA GLU A 51 0.014 10.213 1.235 1.00 0.76 C ATOM 815 C GLU A 51 0.388 9.596 -0.069 1.00 0.77 C ATOM 816 O GLU A 51 1.480 9.103 -0.348 1.00 1.23 O ATOM 817 CB GLU A 51 0.703 11.579 1.386 1.00 0.88 C ATOM 818 CG GLU A 51 0.172 12.603 0.380 1.00 1.35 C ATOM 819 CD GLU A 51 0.834 13.959 0.573 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.688 14.621 1.636 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.557 14.392 -0.363 1.00 1.94 O ATOM 0 H GLU A 51 0.978 9.598 2.927 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.051 10.437 1.287 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.550 11.952 2.399 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.778 11.460 1.249 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.354 12.248 -0.634 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.907 12.703 0.494 1.00 1.35 H new ATOM 828 N ASP A 52 -0.512 9.558 -1.068 1.00 0.66 N ATOM 829 CA ASP A 52 -0.357 8.879 -2.316 1.00 0.65 C ATOM 830 C ASP A 52 0.736 9.353 -3.212 1.00 0.60 C ATOM 831 O ASP A 52 1.503 8.571 -3.771 1.00 0.62 O ATOM 832 CB ASP A 52 -1.704 8.793 -3.053 1.00 0.81 C ATOM 833 CG ASP A 52 -2.871 8.383 -2.166 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.110 7.156 -2.008 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.557 9.302 -1.644 1.00 1.44 O ATOM 0 H ASP A 52 -1.410 10.036 -0.997 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.017 7.882 -2.036 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.924 9.762 -3.500 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.614 8.078 -3.871 1.00 0.81 H new ATOM 840 N GLY A 53 0.816 10.687 -3.355 1.00 0.68 N ATOM 841 CA GLY A 53 1.862 11.260 -4.143 1.00 0.73 C ATOM 842 C GLY A 53 3.181 11.513 -3.498 1.00 0.72 C ATOM 843 O GLY A 53 3.993 12.359 -3.869 1.00 0.97 O ATOM 0 H GLY A 53 0.172 11.357 -2.935 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.031 10.604 -4.997 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.498 12.209 -4.537 1.00 0.73 H new ATOM 847 N ARG A 54 3.548 10.632 -2.550 1.00 0.64 N ATOM 848 CA ARG A 54 4.880 10.573 -2.033 1.00 0.63 C ATOM 849 C ARG A 54 5.589 9.329 -2.448 1.00 0.59 C ATOM 850 O ARG A 54 4.918 8.472 -3.020 1.00 0.62 O ATOM 851 CB ARG A 54 4.887 10.781 -0.509 1.00 0.69 C ATOM 852 CG ARG A 54 4.109 12.013 -0.042 1.00 0.82 C ATOM 853 CD ARG A 54 4.699 13.390 -0.347 1.00 1.18 C ATOM 854 NE ARG A 54 6.084 13.522 0.185 1.00 1.50 N ATOM 855 CZ ARG A 54 6.866 14.577 -0.188 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.345 15.668 -0.822 1.00 2.48 N ATOM 857 NH2 ARG A 54 8.140 14.628 0.299 1.00 2.49 N ATOM 0 H ARG A 54 2.911 9.951 -2.136 1.00 0.64 H new ATOM 0 HA ARG A 54 5.444 11.396 -2.472 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.467 9.896 -0.031 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.919 10.867 -0.170 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.115 11.969 -0.487 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.979 11.937 1.037 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.705 13.553 -1.425 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.066 14.163 0.089 1.00 1.18 H new ATOM 0 HE ARG A 54 6.449 12.822 0.830 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.347 15.709 -1.029 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.954 16.442 -1.089 1.00 2.48 H new ATOM 0 HH21 ARG A 54 8.478 13.893 0.920 1.00 2.49 H new ATOM 0 HH22 ARG A 54 8.754 15.401 0.042 1.00 2.49 H new ATOM 871 N THR A 55 6.917 9.197 -2.287 1.00 0.63 N ATOM 872 CA THR A 55 7.729 8.031 -2.455 1.00 0.61 C ATOM 873 C THR A 55 7.800 7.219 -1.208 1.00 0.59 C ATOM 874 O THR A 55 7.215 7.549 -0.177 1.00 0.64 O ATOM 875 CB THR A 55 9.082 8.271 -3.056 1.00 0.68 C ATOM 876 OG1 THR A 55 9.945 8.862 -2.095 1.00 0.75 O ATOM 877 CG2 THR A 55 9.057 9.097 -4.354 1.00 0.76 C ATOM 0 H THR A 55 7.483 9.999 -2.008 1.00 0.63 H new ATOM 0 HA THR A 55 7.207 7.444 -3.211 1.00 0.61 H new ATOM 0 HB THR A 55 9.466 7.292 -3.344 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.758 8.322 -2.010 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.074 9.225 -4.723 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.461 8.577 -5.104 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.618 10.074 -4.155 1.00 0.76 H new ATOM 885 N LEU A 56 8.499 6.077 -1.340 1.00 0.58 N ATOM 886 CA LEU A 56 8.723 5.082 -0.339 1.00 0.59 C ATOM 887 C LEU A 56 9.859 5.518 0.520 1.00 0.64 C ATOM 888 O LEU A 56 9.770 5.359 1.738 1.00 0.70 O ATOM 889 CB LEU A 56 8.907 3.673 -0.930 1.00 0.60 C ATOM 890 CG LEU A 56 7.633 2.989 -1.454 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.810 1.906 -2.532 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.785 2.318 -0.360 1.00 1.03 C ATOM 0 H LEU A 56 8.945 5.831 -2.224 1.00 0.58 H new ATOM 0 HA LEU A 56 7.833 4.992 0.284 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.625 3.735 -1.748 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.350 3.035 -0.165 1.00 0.60 H new ATOM 0 HG LEU A 56 7.143 3.858 -1.893 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.835 1.507 -2.811 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.289 2.341 -3.409 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.432 1.101 -2.141 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.905 1.859 -0.812 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.377 1.552 0.141 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.471 3.067 0.367 1.00 1.03 H new ATOM 904 N SER A 57 10.943 6.082 -0.042 1.00 0.68 N ATOM 905 CA SER A 57 12.102 6.635 0.586 1.00 0.75 C ATOM 906 C SER A 57 11.741 7.753 1.503 1.00 0.76 C ATOM 907 O SER A 57 12.201 7.896 2.635 1.00 0.84 O ATOM 908 CB SER A 57 13.048 7.071 -0.544 1.00 0.84 C ATOM 909 OG SER A 57 12.364 7.799 -1.553 1.00 1.19 O ATOM 0 H SER A 57 11.011 6.157 -1.057 1.00 0.68 H new ATOM 0 HA SER A 57 12.598 5.901 1.221 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.848 7.686 -0.131 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.517 6.191 -0.985 1.00 0.84 H new ATOM 0 HG SER A 57 12.997 8.061 -2.254 1.00 1.19 H new ATOM 915 N ASP A 58 10.806 8.620 1.075 1.00 0.75 N ATOM 916 CA ASP A 58 10.177 9.683 1.794 1.00 0.78 C ATOM 917 C ASP A 58 9.670 9.252 3.127 1.00 0.77 C ATOM 918 O ASP A 58 10.035 9.811 4.160 1.00 0.86 O ATOM 919 CB ASP A 58 8.993 10.272 1.008 1.00 0.83 C ATOM 920 CG ASP A 58 8.515 11.600 1.579 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.302 12.582 1.606 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.314 11.809 1.899 1.00 1.90 O ATOM 0 H ASP A 58 10.455 8.567 0.119 1.00 0.75 H new ATOM 0 HA ASP A 58 10.953 10.436 1.932 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.286 10.412 -0.032 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.168 9.560 1.013 1.00 0.83 H new ATOM 927 N TYR A 59 8.878 8.167 3.180 1.00 0.72 N ATOM 928 CA TYR A 59 8.377 7.714 4.440 1.00 0.73 C ATOM 929 C TYR A 59 9.268 6.784 5.191 1.00 0.76 C ATOM 930 O TYR A 59 8.945 6.234 6.242 1.00 0.89 O ATOM 931 CB TYR A 59 6.996 7.085 4.196 1.00 0.73 C ATOM 932 CG TYR A 59 5.849 8.032 4.089 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.164 8.359 5.235 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.395 8.582 2.913 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.110 9.240 5.198 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.402 9.530 2.854 1.00 0.70 C ATOM 937 CZ TYR A 59 3.662 9.733 3.995 1.00 0.74 C ATOM 938 OH TYR A 59 2.497 10.530 3.997 1.00 0.86 O ATOM 0 H TYR A 59 8.590 7.615 2.372 1.00 0.72 H new ATOM 0 HA TYR A 59 8.317 8.585 5.092 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.044 6.500 3.277 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.789 6.387 5.008 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.458 7.918 6.176 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.842 8.251 1.987 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.632 9.546 6.117 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.211 10.091 1.951 1.00 0.70 H new ATOM 0 HH TYR A 59 2.578 11.230 3.316 1.00 0.86 H new ATOM 948 N ASN A 60 10.393 6.436 4.541 1.00 0.74 N ATOM 949 CA ASN A 60 11.402 5.603 5.119 1.00 0.79 C ATOM 950 C ASN A 60 10.978 4.177 5.195 1.00 0.75 C ATOM 951 O ASN A 60 11.455 3.456 6.070 1.00 0.86 O ATOM 952 CB ASN A 60 11.963 6.085 6.468 1.00 0.95 C ATOM 953 CG ASN A 60 12.469 7.512 6.321 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.904 8.552 6.655 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.681 7.592 5.709 1.00 1.83 N ATOM 0 H ASN A 60 10.607 6.741 3.591 1.00 0.74 H new ATOM 0 HA ASN A 60 12.235 5.685 4.421 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.189 6.038 7.234 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.773 5.431 6.793 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.105 8.503 5.535 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.166 6.741 5.424 1.00 1.83 H new ATOM 962 N ILE A 61 10.255 3.630 4.201 1.00 0.67 N ATOM 963 CA ILE A 61 9.904 2.247 4.103 1.00 0.65 C ATOM 964 C ILE A 61 10.964 1.417 3.465 1.00 0.66 C ATOM 965 O ILE A 61 11.474 1.706 2.384 1.00 0.75 O ATOM 966 CB ILE A 61 8.632 2.063 3.330 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.504 2.753 4.113 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.170 0.687 2.819 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.474 3.341 3.149 1.00 0.82 C ATOM 0 H ILE A 61 9.896 4.184 3.423 1.00 0.67 H new ATOM 0 HA ILE A 61 9.776 1.909 5.132 1.00 0.65 H new ATOM 0 HB ILE A 61 8.890 2.510 2.370 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.022 2.036 4.778 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.917 3.542 4.741 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.225 0.795 2.287 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.922 0.279 2.143 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.036 0.011 3.664 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.680 3.827 3.717 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.958 4.073 2.502 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.049 2.543 2.540 1.00 0.82 H new ATOM 981 N GLN A 62 11.314 0.317 4.157 1.00 0.67 N ATOM 982 CA GLN A 62 12.373 -0.527 3.698 1.00 0.70 C ATOM 983 C GLN A 62 11.918 -1.902 3.348 1.00 0.62 C ATOM 984 O GLN A 62 10.754 -2.302 3.353 1.00 0.64 O ATOM 985 CB GLN A 62 13.357 -0.534 4.880 1.00 0.85 C ATOM 986 CG GLN A 62 13.575 0.818 5.560 1.00 1.27 C ATOM 987 CD GLN A 62 14.453 1.724 4.707 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.050 2.827 4.339 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.681 1.270 4.341 1.00 2.16 N ATOM 0 H GLN A 62 10.870 0.015 5.024 1.00 0.67 H new ATOM 0 HA GLN A 62 12.814 -0.161 2.771 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.997 -1.243 5.626 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.320 -0.904 4.527 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.613 1.299 5.736 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.040 0.668 6.534 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.000 0.353 4.655 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.283 1.846 3.753 1.00 2.16 H new ATOM 998 N LYS A 63 12.941 -2.704 3.005 1.00 0.64 N ATOM 999 CA LYS A 63 12.831 -4.109 2.760 1.00 0.62 C ATOM 1000 C LYS A 63 11.943 -4.867 3.685 1.00 0.59 C ATOM 1001 O LYS A 63 12.116 -4.835 4.903 1.00 0.66 O ATOM 1002 CB LYS A 63 14.194 -4.809 2.633 1.00 0.74 C ATOM 1003 CG LYS A 63 14.288 -6.290 2.259 1.00 0.89 C ATOM 1004 CD LYS A 63 15.714 -6.844 2.234 1.00 1.11 C ATOM 1005 CE LYS A 63 15.794 -8.369 2.147 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.212 -8.793 2.164 1.00 2.12 N ATOM 0 H LYS A 63 13.893 -2.355 2.893 1.00 0.64 H new ATOM 0 HA LYS A 63 12.330 -4.134 1.792 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.769 -4.255 1.891 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.705 -4.688 3.588 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.698 -6.870 2.969 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.838 -6.434 1.277 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.243 -6.415 1.383 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.235 -6.515 3.133 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.259 -8.820 2.983 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.311 -8.717 1.234 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.265 -9.830 2.105 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.709 -8.374 1.352 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.659 -8.473 3.047 1.00 2.12 H new ATOM 1020 N GLU A 64 10.922 -5.532 3.114 1.00 0.57 N ATOM 1021 CA GLU A 64 9.977 -6.329 3.832 1.00 0.58 C ATOM 1022 C GLU A 64 9.140 -5.692 4.888 1.00 0.56 C ATOM 1023 O GLU A 64 9.040 -6.108 6.042 1.00 0.70 O ATOM 1024 CB GLU A 64 10.629 -7.621 4.350 1.00 0.72 C ATOM 1025 CG GLU A 64 11.121 -8.515 3.210 1.00 0.96 C ATOM 1026 CD GLU A 64 11.779 -9.778 3.748 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.304 -10.382 4.747 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.871 -10.113 3.216 1.00 1.69 O ATOM 0 H GLU A 64 10.748 -5.513 2.109 1.00 0.57 H new ATOM 0 HA GLU A 64 9.234 -6.534 3.061 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.467 -7.368 4.999 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.910 -8.171 4.957 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.283 -8.784 2.567 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.832 -7.965 2.594 1.00 0.96 H new ATOM 1035 N SER A 65 8.500 -4.571 4.510 1.00 0.51 N ATOM 1036 CA SER A 65 7.671 -3.798 5.381 1.00 0.51 C ATOM 1037 C SER A 65 6.251 -4.248 5.353 1.00 0.43 C ATOM 1038 O SER A 65 5.761 -4.448 4.243 1.00 0.50 O ATOM 1039 CB SER A 65 7.706 -2.299 5.038 1.00 0.65 C ATOM 1040 OG SER A 65 9.013 -1.778 5.236 1.00 1.04 O ATOM 0 H SER A 65 8.562 -4.190 3.566 1.00 0.51 H new ATOM 0 HA SER A 65 8.082 -3.952 6.379 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.400 -2.149 4.003 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.994 -1.759 5.662 1.00 0.65 H new ATOM 0 HG SER A 65 9.643 -2.241 4.644 1.00 1.04 H new ATOM 1046 N THR A 66 5.643 -4.393 6.544 1.00 0.45 N ATOM 1047 CA THR A 66 4.275 -4.802 6.616 1.00 0.45 C ATOM 1048 C THR A 66 3.369 -3.639 6.394 1.00 0.43 C ATOM 1049 O THR A 66 3.341 -2.765 7.258 1.00 0.58 O ATOM 1050 CB THR A 66 3.930 -5.354 7.968 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.713 -6.490 8.298 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.499 -5.905 7.853 1.00 0.78 C ATOM 0 H THR A 66 6.091 -4.230 7.446 1.00 0.45 H new ATOM 0 HA THR A 66 4.145 -5.565 5.849 1.00 0.45 H new ATOM 0 HB THR A 66 4.078 -4.567 8.707 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.458 -6.817 9.186 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.192 -6.322 8.812 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.820 -5.099 7.574 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.469 -6.685 7.092 1.00 0.78 H new ATOM 1060 N LEU A 67 2.649 -3.516 5.266 1.00 0.38 N ATOM 1061 CA LEU A 67 1.716 -2.456 5.038 1.00 0.38 C ATOM 1062 C LEU A 67 0.321 -2.967 5.138 1.00 0.37 C ATOM 1063 O LEU A 67 0.098 -4.172 5.247 1.00 0.50 O ATOM 1064 CB LEU A 67 1.888 -1.758 3.677 1.00 0.46 C ATOM 1065 CG LEU A 67 3.060 -0.761 3.668 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.475 -1.353 3.566 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.873 0.216 2.496 1.00 1.31 C ATOM 0 H LEU A 67 2.717 -4.173 4.489 1.00 0.38 H new ATOM 0 HA LEU A 67 1.919 -1.715 5.811 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.050 -2.510 2.905 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.967 -1.233 3.423 1.00 0.46 H new ATOM 0 HG LEU A 67 3.016 -0.287 4.649 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.208 -0.546 3.570 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.656 -2.012 4.415 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.566 -1.921 2.640 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.699 0.928 2.480 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.855 -0.340 1.558 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.933 0.754 2.617 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.645 -2.031 5.157 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.037 -2.315 5.323 1.00 0.37 C ATOM 1081 C HIS A 68 -2.791 -1.712 4.188 1.00 0.35 C ATOM 1082 O HIS A 68 -2.343 -0.717 3.619 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.453 -1.794 6.708 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.167 -2.613 7.932 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -3.106 -2.506 8.939 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.250 -3.520 8.364 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -2.714 -3.386 9.899 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.576 -3.993 9.618 1.00 1.51 N ATOM 0 H HIS A 68 -0.448 -1.036 5.052 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.260 -3.382 5.297 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.975 -0.824 6.847 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.528 -1.618 6.679 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.382 -3.829 7.800 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -3.278 -3.570 10.802 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.058 -4.657 10.194 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.886 -2.358 3.750 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.699 -1.709 2.768 1.00 0.38 C ATOM 1098 C LEU A 69 -6.016 -1.407 3.397 1.00 0.41 C ATOM 1099 O LEU A 69 -6.488 -2.317 4.079 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.914 -2.594 1.528 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.171 -2.377 0.670 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.867 -2.376 -0.838 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.233 -3.466 0.900 1.00 1.14 C ATOM 0 H LEU A 69 -4.198 -3.280 4.055 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.198 -0.800 2.435 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.047 -2.469 0.880 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.917 -3.632 1.860 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.544 -1.402 0.983 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.791 -2.219 -1.395 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.164 -1.575 -1.067 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.430 -3.334 -1.122 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -8.101 -3.267 0.271 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -6.816 -4.440 0.645 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.536 -3.463 1.947 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.590 -0.196 3.296 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.924 0.079 3.733 1.00 0.56 C ATOM 1117 C VAL A 70 -8.837 0.590 2.671 1.00 0.55 C ATOM 1118 O VAL A 70 -8.435 1.061 1.608 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.902 0.975 4.936 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.223 0.218 6.090 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.209 2.315 4.637 1.00 0.97 C ATOM 0 H VAL A 70 -6.114 0.615 2.900 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.355 -0.883 4.011 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.923 1.229 5.222 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.197 0.853 6.976 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.785 -0.689 6.310 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.205 -0.046 5.803 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.214 2.935 5.533 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.180 2.131 4.328 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.741 2.829 3.837 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.163 0.572 2.894 1.00 0.73 N ATOM 1132 CA LEU A 71 -11.190 1.007 1.998 1.00 0.84 C ATOM 1133 C LEU A 71 -11.254 2.494 1.945 1.00 0.85 C ATOM 1134 O LEU A 71 -11.070 3.079 3.011 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.558 0.571 2.545 1.00 1.26 C ATOM 1136 CG LEU A 71 -13.838 1.156 1.923 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -14.083 0.675 0.483 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -15.092 0.762 2.721 1.00 2.78 C ATOM 0 H LEU A 71 -10.547 0.225 3.773 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.967 0.582 1.019 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.616 -0.514 2.455 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.575 0.804 3.610 1.00 1.26 H new ATOM 0 HG LEU A 71 -13.676 2.234 1.938 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -15.000 1.123 0.101 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.245 0.972 -0.147 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -14.178 -0.411 0.473 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -15.974 1.195 2.249 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -15.186 -0.324 2.739 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -15.006 1.135 3.741 1.00 2.78 H new