USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -154:sc= 1.02 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.02 K(o=2,f=0.45) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.13 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.117 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.012 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.03 (180deg=1.89) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.21 (180deg=-0.0303!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.6 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.172) USER MOD Single : A 31 GLN : amide:sc= -0.264 K(o=-0.26,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 41 GLN : amide:sc= 0.168 K(o=0.17,f=-6.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.415 USER MOD Single : A 60 ASN : amide:sc=-0.00665 K(o=-0.0066,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.283 K(o=0.28,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.208 -6.650 -4.018 1.00 9.67 N ATOM 2 CA MET A 1 12.103 -6.931 -2.590 1.00 10.38 C ATOM 3 C MET A 1 10.739 -7.219 -2.268 1.00 9.62 C ATOM 4 O MET A 1 9.853 -6.695 -2.952 1.00 9.62 O ATOM 5 CB MET A 1 12.576 -5.685 -1.707 1.00 13.77 C ATOM 6 CG MET A 1 11.684 -4.456 -1.619 1.00 16.29 C ATOM 7 SD MET A 1 12.246 -2.983 -0.691 1.00 17.17 S ATOM 8 CE MET A 1 10.714 -2.115 -1.206 1.00 16.11 C ATOM 0 H1 MET A 1 13.210 -6.641 -4.297 1.00 9.67 H new ATOM 0 H2 MET A 1 11.706 -7.386 -4.554 1.00 9.67 H new ATOM 0 H3 MET A 1 11.783 -5.723 -4.221 1.00 9.67 H new ATOM 0 HA MET A 1 12.749 -7.781 -2.368 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.739 -6.046 -0.691 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.544 -5.361 -2.089 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.472 -4.135 -2.639 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.737 -4.773 -1.182 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.595 -1.206 -0.616 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.780 -1.856 -2.263 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.855 -2.767 -1.046 1.00 16.11 H new ATOM 20 N GLN A 2 10.506 -8.119 -1.332 1.00 9.27 N ATOM 21 CA GLN A 2 9.191 -8.541 -0.934 1.00 9.07 C ATOM 22 C GLN A 2 8.628 -7.630 0.138 1.00 8.72 C ATOM 23 O GLN A 2 9.265 -7.259 1.101 1.00 8.22 O ATOM 24 CB GLN A 2 9.264 -10.022 -0.522 1.00 14.46 C ATOM 25 CG GLN A 2 7.985 -10.637 0.121 1.00 17.01 C ATOM 26 CD GLN A 2 8.064 -12.177 0.050 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.555 -12.780 0.999 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.536 -12.812 -1.000 1.00 19.49 N ATOM 0 H GLN A 2 11.253 -8.586 -0.817 1.00 9.27 H new ATOM 0 HA GLN A 2 8.489 -8.461 -1.764 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.515 -10.608 -1.406 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.088 -10.138 0.182 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.895 -10.314 1.158 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.096 -10.283 -0.401 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.136 -12.277 -1.771 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.532 -13.832 -1.030 1.00 19.49 H new ATOM 37 N ILE A 3 7.327 -7.195 0.071 1.00 5.87 N ATOM 38 CA ILE A 3 6.669 -6.481 1.173 1.00 5.07 C ATOM 39 C ILE A 3 5.383 -7.233 1.405 1.00 4.01 C ATOM 40 O ILE A 3 4.776 -7.852 0.519 1.00 4.61 O ATOM 41 CB ILE A 3 6.483 -5.015 0.949 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.727 -4.720 -0.354 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.870 -4.334 0.928 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.363 -3.239 -0.519 1.00 10.83 C ATOM 0 H ILE A 3 6.730 -7.336 -0.744 1.00 5.87 H new ATOM 0 HA ILE A 3 7.300 -6.476 2.062 1.00 5.07 H new ATOM 0 HB ILE A 3 5.878 -4.617 1.764 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.338 -5.034 -1.200 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.815 -5.317 -0.381 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.747 -3.263 0.765 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.372 -4.501 1.881 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.471 -4.757 0.123 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.831 -3.098 -1.460 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.726 -2.926 0.309 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.273 -2.639 -0.524 1.00 10.83 H new ATOM 56 N PHE A 4 4.825 -7.104 2.664 1.00 4.55 N ATOM 57 CA PHE A 4 3.605 -7.705 3.095 1.00 4.68 C ATOM 58 C PHE A 4 2.567 -6.665 3.393 1.00 5.30 C ATOM 59 O PHE A 4 2.943 -5.619 3.882 1.00 5.58 O ATOM 60 CB PHE A 4 3.824 -8.656 4.297 1.00 4.83 C ATOM 61 CG PHE A 4 5.031 -9.543 4.173 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.095 -10.493 3.153 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.089 -9.415 5.083 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.125 -11.418 3.187 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.197 -10.297 5.025 1.00 10.61 C ATOM 66 CZ PHE A 4 7.244 -11.293 4.058 1.00 8.90 C ATOM 0 H PHE A 4 5.267 -6.548 3.396 1.00 4.55 H new ATOM 0 HA PHE A 4 3.233 -8.317 2.273 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.918 -8.060 5.205 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.939 -9.281 4.416 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.362 -10.507 2.360 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.060 -8.639 5.834 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.077 -12.270 2.525 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.006 -10.195 5.734 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.098 -11.948 3.970 1.00 8.90 H new ATOM 76 N VAL A 5 1.254 -6.916 3.077 1.00 4.44 N ATOM 77 CA VAL A 5 0.251 -5.973 3.487 1.00 3.87 C ATOM 78 C VAL A 5 -0.822 -6.659 4.312 1.00 4.93 C ATOM 79 O VAL A 5 -1.343 -7.671 3.843 1.00 6.84 O ATOM 80 CB VAL A 5 -0.407 -5.222 2.293 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.332 -4.175 2.955 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.700 -4.504 1.486 1.00 9.13 C ATOM 0 H VAL A 5 0.914 -7.730 2.565 1.00 4.44 H new ATOM 0 HA VAL A 5 0.765 -5.227 4.093 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.949 -5.883 1.617 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.839 -3.597 2.182 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.073 -4.683 3.573 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.738 -3.506 3.577 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.252 -3.974 0.646 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.217 -3.793 2.130 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.413 -5.239 1.112 1.00 9.13 H new ATOM 92 N LYS A 6 -1.104 -6.179 5.564 1.00 6.04 N ATOM 93 CA LYS A 6 -2.202 -6.758 6.355 1.00 6.12 C ATOM 94 C LYS A 6 -3.487 -5.997 6.091 1.00 6.57 C ATOM 95 O LYS A 6 -3.426 -4.759 6.011 1.00 5.76 O ATOM 96 CB LYS A 6 -2.129 -6.706 7.933 1.00 7.45 C ATOM 97 CG LYS A 6 -1.043 -7.644 8.571 1.00 11.12 C ATOM 98 CD LYS A 6 -1.504 -9.063 8.663 1.00 14.54 C ATOM 99 CE LYS A 6 -0.454 -10.062 9.149 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.906 -11.487 8.910 1.00 20.55 N ATOM 0 H LYS A 6 -0.598 -5.420 6.020 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.140 -7.798 6.034 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.929 -5.680 8.240 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.105 -6.975 8.337 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.131 -7.598 7.976 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.792 -7.280 9.567 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.361 -9.106 9.335 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.854 -9.378 7.680 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.489 -9.884 8.631 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.267 -9.910 10.212 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.370 -12.129 9.528 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.921 -11.569 9.122 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.738 -11.742 7.916 1.00 20.55 H new ATOM 114 N THR A 7 -4.622 -6.746 5.877 1.00 7.41 N ATOM 115 CA THR A 7 -5.871 -6.149 5.603 1.00 7.48 C ATOM 116 C THR A 7 -6.596 -5.871 6.887 1.00 8.75 C ATOM 117 O THR A 7 -6.190 -6.224 8.012 1.00 8.58 O ATOM 118 CB THR A 7 -6.707 -6.983 4.610 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.008 -8.192 5.245 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.816 -7.141 3.361 1.00 9.17 C ATOM 0 H THR A 7 -4.641 -7.766 5.901 1.00 7.41 H new ATOM 0 HA THR A 7 -5.699 -5.195 5.105 1.00 7.48 H new ATOM 0 HB THR A 7 -7.654 -6.536 4.308 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.542 -8.753 4.645 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.345 -7.725 2.608 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.579 -6.157 2.956 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.893 -7.652 3.635 1.00 9.17 H new ATOM 128 N LEU A 8 -7.753 -5.170 6.779 1.00 9.84 N ATOM 129 CA LEU A 8 -8.515 -4.836 8.005 1.00 14.15 C ATOM 130 C LEU A 8 -9.112 -6.123 8.550 1.00 17.37 C ATOM 131 O LEU A 8 -9.310 -6.245 9.788 1.00 17.01 O ATOM 132 CB LEU A 8 -9.723 -3.853 7.813 1.00 16.63 C ATOM 133 CG LEU A 8 -9.268 -2.466 7.360 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.433 -1.663 6.806 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.535 -1.699 8.499 1.00 18.59 C ATOM 0 H LEU A 8 -8.161 -4.840 5.904 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.797 -4.342 8.660 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.413 -4.266 7.077 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.272 -3.766 8.751 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.547 -2.604 6.554 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.081 -0.681 6.491 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.861 -2.186 5.951 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.194 -1.546 7.578 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.227 -0.718 8.137 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.208 -1.578 9.348 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.656 -2.263 8.810 1.00 18.59 H new ATOM 147 N THR A 9 -9.405 -7.139 7.809 1.00 18.33 N ATOM 148 CA THR A 9 -9.936 -8.483 8.209 1.00 19.24 C ATOM 149 C THR A 9 -8.814 -9.515 8.390 1.00 19.48 C ATOM 150 O THR A 9 -9.110 -10.674 8.661 1.00 23.14 O ATOM 151 CB THR A 9 -10.946 -9.182 7.251 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.400 -9.535 5.940 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.173 -8.293 6.943 1.00 19.70 C ATOM 0 H THR A 9 -9.281 -7.086 6.798 1.00 18.33 H new ATOM 0 HA THR A 9 -10.460 -8.213 9.126 1.00 19.24 H new ATOM 0 HB THR A 9 -11.209 -10.084 7.804 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.095 -9.969 5.402 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.848 -8.824 6.271 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.695 -8.059 7.871 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.843 -7.369 6.469 1.00 19.70 H new ATOM 161 N GLY A 10 -7.550 -9.040 8.412 1.00 19.43 N ATOM 162 CA GLY A 10 -6.383 -9.691 9.017 1.00 18.74 C ATOM 163 C GLY A 10 -5.522 -10.514 8.113 1.00 17.62 C ATOM 164 O GLY A 10 -4.531 -11.093 8.480 1.00 19.74 O ATOM 0 H GLY A 10 -7.311 -8.145 7.984 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.760 -8.919 9.468 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.734 -10.331 9.827 1.00 18.74 H new ATOM 168 N LYS A 11 -5.890 -10.558 6.824 1.00 13.56 N ATOM 169 CA LYS A 11 -5.301 -11.354 5.742 1.00 11.91 C ATOM 170 C LYS A 11 -3.994 -10.673 5.308 1.00 10.18 C ATOM 171 O LYS A 11 -3.872 -9.426 5.341 1.00 9.10 O ATOM 172 CB LYS A 11 -6.265 -11.511 4.558 1.00 13.43 C ATOM 173 CG LYS A 11 -5.970 -12.631 3.566 1.00 16.69 C ATOM 174 CD LYS A 11 -6.940 -12.703 2.352 1.00 17.92 C ATOM 175 CE LYS A 11 -6.796 -11.556 1.350 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.725 -11.736 0.249 1.00 21.93 N ATOM 0 H LYS A 11 -6.669 -9.992 6.487 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.097 -12.362 6.103 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.267 -11.667 4.956 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.283 -10.569 4.009 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.953 -12.508 3.193 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.002 -13.583 4.095 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.778 -13.646 1.830 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.965 -12.717 2.723 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.987 -10.604 1.845 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.774 -11.519 0.972 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.363 -11.246 -0.594 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.827 -12.750 0.043 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.651 -11.341 0.508 1.00 21.93 H new ATOM 190 N THR A 12 -3.058 -11.474 4.850 1.00 9.63 N ATOM 191 CA THR A 12 -1.788 -10.995 4.349 1.00 9.85 C ATOM 192 C THR A 12 -1.737 -11.176 2.868 1.00 11.66 C ATOM 193 O THR A 12 -2.067 -12.203 2.304 1.00 12.33 O ATOM 194 CB THR A 12 -0.585 -11.802 4.886 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.720 -12.189 6.266 1.00 10.91 O ATOM 196 CG2 THR A 12 0.737 -11.057 4.859 1.00 9.63 C ATOM 0 H THR A 12 -3.158 -12.488 4.814 1.00 9.63 H new ATOM 0 HA THR A 12 -1.719 -9.955 4.667 1.00 9.85 H new ATOM 0 HB THR A 12 -0.583 -12.654 4.207 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.071 -12.696 6.542 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.525 -11.699 5.254 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.976 -10.778 3.833 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.661 -10.158 5.471 1.00 9.63 H new ATOM 204 N ILE A 13 -1.459 -10.020 2.252 1.00 10.42 N ATOM 205 CA ILE A 13 -1.189 -9.901 0.895 1.00 11.84 C ATOM 206 C ILE A 13 0.305 -9.720 0.767 1.00 10.55 C ATOM 207 O ILE A 13 0.944 -9.016 1.516 1.00 11.92 O ATOM 208 CB ILE A 13 -1.762 -8.638 0.292 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.153 -8.221 0.716 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.808 -8.901 -1.249 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.276 -9.238 0.354 1.00 16.46 C ATOM 0 H ILE A 13 -1.426 -9.129 2.747 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.608 -10.776 0.398 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.124 -7.823 0.635 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.158 -8.064 1.795 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.387 -7.262 0.253 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.214 -8.025 -1.756 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.800 -9.097 -1.615 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.442 -9.764 -1.452 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.238 -8.855 0.696 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.305 -9.379 -0.727 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.072 -10.193 0.839 1.00 16.46 H new ATOM 223 N THR A 14 0.890 -10.455 -0.177 1.00 9.39 N ATOM 224 CA THR A 14 2.304 -10.443 -0.408 1.00 9.63 C ATOM 225 C THR A 14 2.485 -9.902 -1.792 1.00 11.20 C ATOM 226 O THR A 14 1.683 -10.309 -2.696 1.00 11.63 O ATOM 227 CB THR A 14 2.912 -11.833 -0.354 1.00 10.38 C ATOM 228 OG1 THR A 14 2.556 -12.360 0.899 1.00 16.30 O ATOM 229 CG2 THR A 14 4.476 -11.783 -0.408 1.00 11.66 C ATOM 0 H THR A 14 0.376 -11.077 -0.801 1.00 9.39 H new ATOM 0 HA THR A 14 2.796 -9.848 0.361 1.00 9.63 H new ATOM 0 HB THR A 14 2.557 -12.422 -1.200 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.923 -13.264 0.990 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.874 -12.797 -0.367 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.793 -11.306 -1.335 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.851 -11.211 0.441 1.00 11.66 H new ATOM 237 N LEU A 15 3.402 -8.915 -1.938 1.00 8.29 N ATOM 238 CA LEU A 15 3.762 -8.122 -3.099 1.00 9.03 C ATOM 239 C LEU A 15 5.265 -8.325 -3.353 1.00 8.59 C ATOM 240 O LEU A 15 6.062 -8.772 -2.501 1.00 7.79 O ATOM 241 CB LEU A 15 3.302 -6.670 -3.021 1.00 11.08 C ATOM 242 CG LEU A 15 1.829 -6.525 -2.614 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.496 -5.085 -2.267 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.886 -6.976 -3.791 1.00 15.27 C ATOM 0 H LEU A 15 3.966 -8.636 -1.135 1.00 8.29 H new ATOM 0 HA LEU A 15 3.216 -8.472 -3.975 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.925 -6.136 -2.304 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.453 -6.195 -3.990 1.00 11.08 H new ATOM 0 HG LEU A 15 1.672 -7.157 -1.740 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.446 -5.013 -1.983 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.121 -4.757 -1.436 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.682 -4.450 -3.133 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.155 -6.867 -3.486 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.074 -6.355 -4.667 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.084 -8.019 -4.037 1.00 15.27 H new ATOM 256 N GLU A 16 5.685 -8.163 -4.656 1.00 11.04 N ATOM 257 CA GLU A 16 7.119 -8.136 -5.083 1.00 11.50 C ATOM 258 C GLU A 16 7.377 -6.740 -5.743 1.00 10.13 C ATOM 259 O GLU A 16 6.603 -6.441 -6.674 1.00 9.83 O ATOM 260 CB GLU A 16 7.400 -9.292 -6.083 1.00 17.22 C ATOM 261 CG GLU A 16 8.797 -9.490 -6.669 1.00 23.33 C ATOM 262 CD GLU A 16 9.811 -9.597 -5.564 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.705 -10.558 -4.760 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.763 -8.775 -5.484 1.00 28.90 O ATOM 0 H GLU A 16 5.034 -8.048 -5.432 1.00 11.04 H new ATOM 0 HA GLU A 16 7.787 -8.277 -4.233 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.126 -10.222 -5.585 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.715 -9.166 -6.921 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.818 -10.392 -7.281 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.047 -8.655 -7.323 1.00 23.33 H new ATOM 271 N VAL A 17 8.285 -5.905 -5.210 1.00 8.99 N ATOM 272 CA VAL A 17 8.353 -4.520 -5.574 1.00 8.85 C ATOM 273 C VAL A 17 9.802 -4.066 -5.582 1.00 8.04 C ATOM 274 O VAL A 17 10.635 -4.619 -4.886 1.00 8.99 O ATOM 275 CB VAL A 17 7.533 -3.598 -4.645 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.048 -3.902 -4.659 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.146 -3.646 -3.264 1.00 10.54 C ATOM 0 H VAL A 17 8.980 -6.190 -4.520 1.00 8.99 H new ATOM 0 HA VAL A 17 7.913 -4.438 -6.568 1.00 8.85 H new ATOM 0 HB VAL A 17 7.586 -2.575 -5.018 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.530 -3.219 -3.986 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.661 -3.778 -5.670 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.884 -4.928 -4.331 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.580 -3.000 -2.592 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.121 -4.670 -2.890 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.179 -3.303 -3.312 1.00 10.54 H new ATOM 287 N GLU A 18 10.101 -2.973 -6.316 1.00 7.29 N ATOM 288 CA GLU A 18 11.413 -2.325 -6.179 1.00 7.08 C ATOM 289 C GLU A 18 11.335 -1.249 -5.120 1.00 6.45 C ATOM 290 O GLU A 18 10.261 -0.688 -4.886 1.00 5.28 O ATOM 291 CB GLU A 18 11.917 -1.825 -7.572 1.00 10.28 C ATOM 292 CG GLU A 18 11.839 -2.965 -8.629 1.00 12.65 C ATOM 293 CD GLU A 18 12.365 -2.442 -9.894 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.739 -1.676 -10.664 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.557 -2.792 -10.119 1.00 14.33 O ATOM 0 H GLU A 18 9.471 -2.535 -6.988 1.00 7.29 H new ATOM 0 HA GLU A 18 12.163 -3.038 -5.837 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.315 -0.978 -7.899 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.945 -1.472 -7.487 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.418 -3.829 -8.303 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.809 -3.301 -8.753 1.00 12.65 H new ATOM 302 N PRO A 19 12.467 -0.746 -4.509 1.00 7.24 N ATOM 303 CA PRO A 19 12.457 0.423 -3.662 1.00 7.07 C ATOM 304 C PRO A 19 11.943 1.655 -4.412 1.00 6.65 C ATOM 305 O PRO A 19 11.484 2.644 -3.858 1.00 6.37 O ATOM 306 CB PRO A 19 13.937 0.604 -3.123 1.00 7.61 C ATOM 307 CG PRO A 19 14.761 -0.345 -3.979 1.00 8.16 C ATOM 308 CD PRO A 19 13.793 -1.401 -4.497 1.00 7.49 C ATOM 0 HA PRO A 19 11.770 0.299 -2.825 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.277 1.634 -3.229 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.010 0.352 -2.065 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.234 0.187 -4.804 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.559 -0.802 -3.395 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.075 -1.736 -5.495 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.791 -2.281 -3.854 1.00 7.49 H new ATOM 316 N SER A 20 12.101 1.677 -5.776 1.00 6.80 N ATOM 317 CA SER A 20 11.647 2.802 -6.593 1.00 6.28 C ATOM 318 C SER A 20 10.236 2.693 -7.061 1.00 8.45 C ATOM 319 O SER A 20 9.808 3.670 -7.683 1.00 7.26 O ATOM 320 CB SER A 20 12.520 2.883 -7.854 1.00 8.57 C ATOM 321 OG SER A 20 12.849 1.581 -8.344 1.00 11.13 O ATOM 0 H SER A 20 12.538 0.924 -6.307 1.00 6.80 H new ATOM 0 HA SER A 20 11.722 3.680 -5.952 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.994 3.442 -8.627 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.435 3.431 -7.630 1.00 8.57 H new ATOM 0 HG SER A 20 13.404 1.664 -9.148 1.00 11.13 H new ATOM 327 N ASP A 21 9.471 1.618 -6.728 1.00 7.50 N ATOM 328 CA ASP A 21 8.064 1.645 -7.128 1.00 7.70 C ATOM 329 C ASP A 21 7.189 2.654 -6.487 1.00 7.08 C ATOM 330 O ASP A 21 7.357 3.080 -5.316 1.00 8.11 O ATOM 331 CB ASP A 21 7.482 0.217 -6.976 1.00 11.00 C ATOM 332 CG ASP A 21 7.891 -0.841 -7.984 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.013 -0.596 -9.200 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.943 -2.012 -7.562 1.00 14.36 O ATOM 0 H ASP A 21 9.784 0.789 -6.223 1.00 7.50 H new ATOM 0 HA ASP A 21 8.070 1.979 -8.166 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.752 -0.147 -5.985 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.395 0.297 -7.002 1.00 11.00 H new ATOM 339 N THR A 22 6.172 3.173 -7.203 1.00 5.37 N ATOM 340 CA THR A 22 5.162 4.132 -6.667 1.00 6.01 C ATOM 341 C THR A 22 4.036 3.513 -5.822 1.00 8.01 C ATOM 342 O THR A 22 3.549 2.402 -6.118 1.00 8.11 O ATOM 343 CB THR A 22 4.484 5.072 -7.675 1.00 8.92 C ATOM 344 OG1 THR A 22 3.688 4.335 -8.600 1.00 10.22 O ATOM 345 CG2 THR A 22 5.516 5.858 -8.487 1.00 9.65 C ATOM 0 H THR A 22 6.019 2.940 -8.184 1.00 5.37 H new ATOM 0 HA THR A 22 5.833 4.717 -6.038 1.00 6.01 H new ATOM 0 HB THR A 22 3.865 5.755 -7.094 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.608 4.839 -9.437 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.003 6.513 -9.191 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.129 6.457 -7.814 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.152 5.164 -9.036 1.00 9.65 H new ATOM 353 N ILE A 23 3.490 4.344 -4.901 1.00 8.32 N ATOM 354 CA ILE A 23 2.403 3.904 -4.054 1.00 9.92 C ATOM 355 C ILE A 23 1.175 3.602 -4.909 1.00 10.01 C ATOM 356 O ILE A 23 0.602 2.549 -4.733 1.00 8.71 O ATOM 357 CB ILE A 23 2.081 4.944 -2.949 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.334 5.379 -2.154 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.028 4.410 -2.030 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.093 4.183 -1.500 1.00 12.30 C ATOM 0 H ILE A 23 3.793 5.305 -4.742 1.00 8.32 H new ATOM 0 HA ILE A 23 2.709 2.990 -3.544 1.00 9.92 H new ATOM 0 HB ILE A 23 1.705 5.838 -3.447 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.013 5.911 -2.821 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.037 6.082 -1.375 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.810 5.148 -1.258 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.122 4.200 -2.598 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.384 3.492 -1.563 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.962 4.556 -0.957 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.429 3.665 -0.809 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.420 3.491 -2.276 1.00 12.30 H new ATOM 372 N GLU A 24 0.831 4.408 -5.945 1.00 9.54 N ATOM 373 CA GLU A 24 -0.052 4.129 -7.060 1.00 11.81 C ATOM 374 C GLU A 24 0.106 2.723 -7.670 1.00 11.14 C ATOM 375 O GLU A 24 -0.899 2.032 -7.923 1.00 10.62 O ATOM 376 CB GLU A 24 0.265 5.213 -8.164 1.00 19.24 C ATOM 377 CG GLU A 24 -0.930 5.547 -9.073 1.00 27.76 C ATOM 378 CD GLU A 24 -0.654 6.803 -9.852 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.511 7.097 -10.248 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.558 7.584 -10.129 1.00 36.51 O ATOM 0 H GLU A 24 1.211 5.353 -6.008 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.078 4.167 -6.694 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.603 6.127 -7.675 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.090 4.858 -8.781 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.118 4.720 -9.757 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.830 5.674 -8.471 1.00 27.76 H new ATOM 387 N ASN A 25 1.319 2.289 -8.033 1.00 9.43 N ATOM 388 CA ASN A 25 1.571 0.903 -8.517 1.00 10.96 C ATOM 389 C ASN A 25 1.295 -0.126 -7.483 1.00 9.68 C ATOM 390 O ASN A 25 0.804 -1.245 -7.782 1.00 9.33 O ATOM 391 CB ASN A 25 2.965 0.602 -9.125 1.00 16.78 C ATOM 392 CG ASN A 25 3.134 1.110 -10.558 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.967 0.311 -11.503 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.522 2.416 -10.690 1.00 24.70 N ATOM 0 H ASN A 25 2.154 2.873 -8.004 1.00 9.43 H new ATOM 0 HA ASN A 25 0.859 0.846 -9.340 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.731 1.055 -8.496 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.134 -0.475 -9.108 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.698 2.805 -11.616 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.635 3.001 -9.862 1.00 24.70 H new ATOM 401 N VAL A 26 1.609 0.174 -6.183 1.00 6.52 N ATOM 402 CA VAL A 26 1.283 -0.787 -5.115 1.00 5.53 C ATOM 403 C VAL A 26 -0.229 -0.913 -4.946 1.00 4.42 C ATOM 404 O VAL A 26 -0.751 -2.034 -4.722 1.00 3.40 O ATOM 405 CB VAL A 26 1.790 -0.308 -3.797 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.351 -1.353 -2.734 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.320 -0.320 -3.922 1.00 8.12 C ATOM 0 H VAL A 26 2.064 1.033 -5.874 1.00 6.52 H new ATOM 0 HA VAL A 26 1.739 -1.734 -5.402 1.00 5.53 H new ATOM 0 HB VAL A 26 1.421 0.679 -3.520 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.702 -1.041 -1.750 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.264 -1.427 -2.724 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.779 -2.325 -2.981 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.764 0.022 -2.987 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.660 -1.333 -4.136 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.624 0.343 -4.732 1.00 8.12 H new ATOM 417 N LYS A 27 -0.948 0.227 -5.021 1.00 2.64 N ATOM 418 CA LYS A 27 -2.405 0.272 -5.040 1.00 4.14 C ATOM 419 C LYS A 27 -2.987 -0.398 -6.276 1.00 5.58 C ATOM 420 O LYS A 27 -3.887 -1.158 -6.094 1.00 4.11 O ATOM 421 CB LYS A 27 -2.910 1.740 -4.999 1.00 3.97 C ATOM 422 CG LYS A 27 -2.497 2.436 -3.671 1.00 7.45 C ATOM 423 CD LYS A 27 -3.064 3.787 -3.582 1.00 9.02 C ATOM 424 CE LYS A 27 -2.786 4.584 -2.299 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.802 5.683 -2.225 1.00 15.47 N ATOM 0 H LYS A 27 -0.516 1.149 -5.070 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.739 -0.271 -4.156 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.502 2.292 -5.845 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.995 1.758 -5.101 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.836 1.840 -2.824 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.410 2.490 -3.608 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.690 4.366 -4.427 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.144 3.708 -3.703 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.855 3.938 -1.424 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.777 4.995 -2.314 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.484 6.405 -1.547 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.915 6.116 -3.164 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.714 5.292 -1.912 1.00 15.47 H new ATOM 439 N ALA A 28 -2.371 -0.233 -7.480 1.00 6.61 N ATOM 440 CA ALA A 28 -2.789 -0.961 -8.633 1.00 7.74 C ATOM 441 C ALA A 28 -2.552 -2.505 -8.488 1.00 9.17 C ATOM 442 O ALA A 28 -3.431 -3.283 -8.900 1.00 11.45 O ATOM 443 CB ALA A 28 -1.965 -0.636 -9.887 1.00 7.68 C ATOM 0 H ALA A 28 -1.590 0.403 -7.640 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.838 -0.681 -8.723 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.335 -1.223 -10.728 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.057 0.425 -10.118 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.918 -0.879 -9.707 1.00 7.68 H new ATOM 449 N LYS A 29 -1.480 -3.031 -7.910 1.00 8.96 N ATOM 450 CA LYS A 29 -1.350 -4.446 -7.506 1.00 7.90 C ATOM 451 C LYS A 29 -2.440 -4.936 -6.529 1.00 6.92 C ATOM 452 O LYS A 29 -2.952 -6.042 -6.639 1.00 6.87 O ATOM 453 CB LYS A 29 -0.010 -4.657 -6.830 1.00 10.28 C ATOM 454 CG LYS A 29 1.172 -4.969 -7.753 1.00 14.94 C ATOM 455 CD LYS A 29 2.542 -4.807 -7.038 1.00 19.69 C ATOM 456 CE LYS A 29 3.711 -4.764 -8.011 1.00 22.63 C ATOM 457 NZ LYS A 29 3.745 -5.972 -8.747 1.00 24.98 N ATOM 0 H LYS A 29 -0.648 -2.480 -7.699 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.453 -5.019 -8.427 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.230 -3.761 -6.258 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.112 -5.474 -6.116 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.079 -5.989 -8.126 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.137 -4.308 -8.619 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.533 -3.891 -6.447 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.684 -5.634 -6.342 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.607 -3.915 -8.686 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.647 -4.627 -7.469 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.666 -6.064 -9.222 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.607 -6.776 -8.102 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.987 -5.966 -9.460 1.00 24.98 H new ATOM 471 N ILE A 30 -2.861 -4.079 -5.556 1.00 4.57 N ATOM 472 CA ILE A 30 -3.906 -4.378 -4.571 1.00 5.58 C ATOM 473 C ILE A 30 -5.256 -4.342 -5.184 1.00 7.26 C ATOM 474 O ILE A 30 -6.035 -5.251 -4.913 1.00 9.46 O ATOM 475 CB ILE A 30 -3.834 -3.597 -3.224 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.538 -4.038 -2.481 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.112 -3.806 -2.373 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.156 -3.325 -1.175 1.00 2.00 C ATOM 0 H ILE A 30 -2.466 -3.145 -5.444 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.693 -5.401 -4.261 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.789 -2.524 -3.413 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.629 -5.102 -2.262 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.705 -3.925 -3.175 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.025 -3.246 -1.442 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.981 -3.453 -2.929 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.231 -4.866 -2.149 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.231 -3.750 -0.786 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.014 -2.262 -1.369 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.952 -3.457 -0.442 1.00 2.00 H new ATOM 490 N GLN A 31 -5.608 -3.392 -6.098 1.00 7.06 N ATOM 491 CA GLN A 31 -6.917 -3.451 -6.751 1.00 8.67 C ATOM 492 C GLN A 31 -7.044 -4.772 -7.543 1.00 10.90 C ATOM 493 O GLN A 31 -8.097 -5.372 -7.580 1.00 9.63 O ATOM 494 CB GLN A 31 -7.298 -2.341 -7.813 1.00 9.12 C ATOM 495 CG GLN A 31 -8.788 -2.322 -8.213 1.00 10.76 C ATOM 496 CD GLN A 31 -9.110 -1.201 -9.285 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.112 0.008 -9.058 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.415 -1.625 -10.505 1.00 14.76 N ATOM 0 H GLN A 31 -5.017 -2.610 -6.381 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.580 -3.320 -5.896 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.031 -1.364 -7.410 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.696 -2.492 -8.709 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -9.066 -3.296 -8.615 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.398 -2.158 -7.325 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.418 -2.624 -10.712 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.646 -0.952 -11.236 1.00 14.76 H new ATOM 507 N ASP A 32 -5.963 -5.215 -8.224 1.00 10.93 N ATOM 508 CA ASP A 32 -5.905 -6.455 -8.926 1.00 14.01 C ATOM 509 C ASP A 32 -6.101 -7.643 -7.946 1.00 14.04 C ATOM 510 O ASP A 32 -6.838 -8.595 -8.275 1.00 13.39 O ATOM 511 CB ASP A 32 -4.550 -6.544 -9.721 1.00 18.01 C ATOM 512 CG ASP A 32 -4.480 -7.844 -10.563 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.407 -8.080 -11.350 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.577 -8.676 -10.289 1.00 26.29 O ATOM 0 H ASP A 32 -5.096 -4.681 -8.284 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.718 -6.511 -9.650 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.451 -5.678 -10.375 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.713 -6.514 -9.023 1.00 18.01 H new ATOM 519 N LYS A 33 -5.470 -7.622 -6.742 1.00 14.22 N ATOM 520 CA LYS A 33 -5.716 -8.688 -5.847 1.00 14.00 C ATOM 521 C LYS A 33 -7.034 -8.728 -5.091 1.00 12.37 C ATOM 522 O LYS A 33 -7.694 -9.751 -4.951 1.00 12.17 O ATOM 523 CB LYS A 33 -4.519 -8.665 -4.853 1.00 18.62 C ATOM 524 CG LYS A 33 -3.230 -9.099 -5.563 1.00 24.00 C ATOM 525 CD LYS A 33 -2.509 -10.212 -4.874 1.00 27.61 C ATOM 526 CE LYS A 33 -1.072 -10.360 -5.387 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.475 -11.656 -4.966 1.00 30.06 N ATOM 0 H LYS A 33 -4.826 -6.901 -6.417 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.808 -9.587 -6.456 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.397 -7.662 -4.443 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.722 -9.330 -4.013 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.473 -9.410 -6.579 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.563 -8.241 -5.643 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.495 -10.026 -3.800 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.049 -11.146 -5.029 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.064 -10.290 -6.475 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.463 -9.538 -5.010 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.497 -11.725 -5.329 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.461 -11.711 -3.928 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.043 -12.440 -5.347 1.00 30.06 H new ATOM 541 N GLU A 34 -7.460 -7.567 -4.531 1.00 10.11 N ATOM 542 CA GLU A 34 -8.560 -7.413 -3.520 1.00 10.07 C ATOM 543 C GLU A 34 -9.801 -6.681 -4.030 1.00 9.32 C ATOM 544 O GLU A 34 -10.857 -6.721 -3.387 1.00 11.61 O ATOM 545 CB GLU A 34 -8.077 -6.696 -2.293 1.00 14.77 C ATOM 546 CG GLU A 34 -6.935 -7.452 -1.495 1.00 18.75 C ATOM 547 CD GLU A 34 -7.459 -8.748 -0.912 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.009 -8.787 0.192 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.248 -9.822 -1.572 1.00 21.95 O ATOM 0 H GLU A 34 -7.036 -6.672 -4.775 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.851 -8.439 -3.293 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.709 -5.712 -2.584 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.923 -6.535 -1.625 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.096 -7.659 -2.159 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.559 -6.813 -0.696 1.00 18.75 H new ATOM 556 N GLY A 35 -9.729 -5.988 -5.252 1.00 7.22 N ATOM 557 CA GLY A 35 -10.787 -5.248 -5.904 1.00 6.29 C ATOM 558 C GLY A 35 -11.019 -3.868 -5.411 1.00 6.93 C ATOM 559 O GLY A 35 -11.832 -3.191 -6.012 1.00 7.41 O ATOM 0 H GLY A 35 -8.864 -5.963 -5.792 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.564 -5.198 -6.970 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.715 -5.811 -5.798 1.00 6.29 H new ATOM 563 N ILE A 36 -10.273 -3.323 -4.396 1.00 5.86 N ATOM 564 CA ILE A 36 -10.463 -2.018 -3.755 1.00 6.07 C ATOM 565 C ILE A 36 -9.887 -0.948 -4.611 1.00 6.36 C ATOM 566 O ILE A 36 -8.690 -1.058 -4.863 1.00 6.18 O ATOM 567 CB ILE A 36 -9.799 -1.873 -2.419 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.445 -2.996 -1.579 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.066 -0.513 -1.767 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.970 -3.080 -0.139 1.00 9.49 C ATOM 0 H ILE A 36 -9.483 -3.828 -3.995 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.541 -1.936 -3.618 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.714 -1.940 -2.501 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.526 -2.854 -1.581 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.249 -3.951 -2.066 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.560 -0.466 -0.803 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.690 0.280 -2.413 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.138 -0.384 -1.621 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.482 -3.899 0.366 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.895 -3.258 -0.120 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.192 -2.143 0.372 1.00 9.49 H new ATOM 582 N PRO A 37 -10.577 0.074 -5.142 1.00 8.65 N ATOM 583 CA PRO A 37 -9.928 1.148 -5.929 1.00 9.18 C ATOM 584 C PRO A 37 -8.736 1.943 -5.349 1.00 9.85 C ATOM 585 O PRO A 37 -8.828 2.213 -4.123 1.00 8.51 O ATOM 586 CB PRO A 37 -11.112 2.105 -6.313 1.00 11.42 C ATOM 587 CG PRO A 37 -12.302 1.221 -6.191 1.00 9.27 C ATOM 588 CD PRO A 37 -12.008 0.138 -5.109 1.00 8.33 C ATOM 0 HA PRO A 37 -9.406 0.654 -6.749 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.174 2.962 -5.642 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.002 2.499 -7.323 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.180 1.804 -5.913 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.523 0.749 -7.148 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.382 0.428 -4.127 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.466 -0.820 -5.354 1.00 8.33 H new ATOM 596 N PRO A 38 -7.691 2.398 -6.053 1.00 8.71 N ATOM 597 CA PRO A 38 -6.549 3.163 -5.463 1.00 9.08 C ATOM 598 C PRO A 38 -6.879 4.439 -4.678 1.00 9.28 C ATOM 599 O PRO A 38 -6.238 4.772 -3.647 1.00 6.50 O ATOM 600 CB PRO A 38 -5.640 3.454 -6.635 1.00 10.31 C ATOM 601 CG PRO A 38 -5.782 2.243 -7.501 1.00 10.81 C ATOM 602 CD PRO A 38 -7.296 1.847 -7.349 1.00 12.00 C ATOM 0 HA PRO A 38 -6.100 2.552 -4.680 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.941 4.360 -7.161 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.608 3.599 -6.315 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.528 2.461 -8.538 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.123 1.438 -7.174 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.898 2.263 -8.157 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.428 0.765 -7.377 1.00 12.00 H new ATOM 610 N ASP A 39 -7.998 5.093 -5.049 1.00 11.20 N ATOM 611 CA ASP A 39 -8.541 6.210 -4.308 1.00 14.96 C ATOM 612 C ASP A 39 -9.118 5.808 -2.877 1.00 13.99 C ATOM 613 O ASP A 39 -9.166 6.525 -1.890 1.00 13.75 O ATOM 614 CB ASP A 39 -9.685 6.812 -5.204 1.00 24.16 C ATOM 615 CG ASP A 39 -9.740 8.309 -5.310 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.968 8.956 -4.322 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.577 8.840 -6.444 1.00 34.22 O ATOM 0 H ASP A 39 -8.540 4.847 -5.877 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.745 6.926 -4.102 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.581 6.403 -6.209 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.642 6.463 -4.815 1.00 24.16 H new ATOM 622 N GLN A 40 -9.512 4.537 -2.742 1.00 11.60 N ATOM 623 CA GLN A 40 -10.179 4.012 -1.578 1.00 10.76 C ATOM 624 C GLN A 40 -9.172 3.273 -0.644 1.00 8.01 C ATOM 625 O GLN A 40 -9.534 2.713 0.333 1.00 8.96 O ATOM 626 CB GLN A 40 -11.412 3.087 -1.875 1.00 11.14 C ATOM 627 CG GLN A 40 -12.484 3.954 -2.596 1.00 14.85 C ATOM 628 CD GLN A 40 -13.873 3.243 -2.577 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.230 2.719 -3.639 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.539 3.179 -1.426 1.00 18.16 N ATOM 0 H GLN A 40 -9.365 3.837 -3.469 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.585 4.891 -1.077 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.117 2.244 -2.500 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.813 2.673 -0.950 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.561 4.926 -2.108 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.178 4.137 -3.626 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.169 3.643 -0.596 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.419 2.666 -1.374 1.00 18.16 H new ATOM 639 N GLN A 41 -7.882 3.227 -1.001 1.00 6.52 N ATOM 640 CA GLN A 41 -6.801 2.584 -0.378 1.00 3.87 C ATOM 641 C GLN A 41 -5.997 3.581 0.438 1.00 4.79 C ATOM 642 O GLN A 41 -5.366 4.463 -0.137 1.00 6.34 O ATOM 643 CB GLN A 41 -5.841 1.913 -1.414 1.00 4.20 C ATOM 644 CG GLN A 41 -6.540 0.710 -2.089 1.00 3.20 C ATOM 645 CD GLN A 41 -5.537 0.001 -3.013 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.375 -0.190 -2.674 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.032 -0.530 -4.160 1.00 7.13 N ATOM 0 H GLN A 41 -7.572 3.712 -1.843 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.222 1.810 0.264 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.543 2.641 -2.169 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -4.931 1.581 -0.915 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.910 0.017 -1.333 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.404 1.049 -2.661 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.002 -0.359 -4.424 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.434 -1.100 -4.758 1.00 7.13 H new ATOM 656 N ARG A 42 -6.069 3.602 1.764 1.00 5.73 N ATOM 657 CA ARG A 42 -5.094 4.317 2.607 1.00 6.97 C ATOM 658 C ARG A 42 -4.097 3.243 3.001 1.00 7.15 C ATOM 659 O ARG A 42 -4.328 2.265 3.703 1.00 7.33 O ATOM 660 CB ARG A 42 -5.694 4.966 3.868 1.00 13.23 C ATOM 661 CG ARG A 42 -6.332 6.292 3.366 1.00 21.27 C ATOM 662 CD ARG A 42 -6.906 7.020 4.529 1.00 26.14 C ATOM 663 NE ARG A 42 -7.134 8.435 4.143 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.193 9.181 4.473 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.156 8.695 5.209 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.233 10.521 4.166 1.00 36.39 N ATOM 0 H ARG A 42 -6.801 3.127 2.293 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.666 5.155 2.057 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.439 4.318 4.330 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.927 5.155 4.619 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.582 6.907 2.869 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.109 6.082 2.631 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.843 6.558 4.838 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.228 6.966 5.380 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.415 8.880 3.572 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.107 7.732 5.542 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.957 9.278 5.451 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.449 10.957 3.681 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.047 11.079 4.423 1.00 36.39 H new ATOM 680 N LEU A 43 -2.867 3.297 2.414 1.00 4.65 N ATOM 681 CA LEU A 43 -1.790 2.389 2.745 1.00 3.51 C ATOM 682 C LEU A 43 -0.917 3.022 3.791 1.00 5.56 C ATOM 683 O LEU A 43 -0.567 4.213 3.649 1.00 4.19 O ATOM 684 CB LEU A 43 -1.019 1.987 1.484 1.00 3.74 C ATOM 685 CG LEU A 43 -1.826 1.278 0.322 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.980 0.933 -0.862 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.423 0.037 0.839 1.00 6.41 C ATOM 0 H LEU A 43 -2.620 3.982 1.700 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.190 1.465 3.163 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.558 2.885 1.072 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.209 1.322 1.784 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.584 1.987 -0.011 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.596 0.450 -1.621 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.543 1.842 -1.274 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.184 0.255 -0.555 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.981 -0.457 0.044 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.634 -0.626 1.195 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.097 0.273 1.662 1.00 6.41 H new ATOM 699 N ILE A 44 -0.764 2.322 4.932 1.00 4.58 N ATOM 700 CA ILE A 44 -0.155 2.982 6.080 1.00 5.55 C ATOM 701 C ILE A 44 1.029 2.191 6.418 1.00 5.46 C ATOM 702 O ILE A 44 1.010 0.975 6.598 1.00 6.04 O ATOM 703 CB ILE A 44 -1.041 3.087 7.317 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.358 3.703 6.867 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.317 3.925 8.435 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.322 4.223 7.987 1.00 13.90 C ATOM 0 H ILE A 44 -1.040 1.350 5.073 1.00 4.58 H new ATOM 0 HA ILE A 44 0.057 4.013 5.796 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.238 2.112 7.762 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.132 4.536 6.202 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.895 2.960 6.277 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.960 3.993 9.313 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.619 3.437 8.707 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.108 4.927 8.061 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.221 4.636 7.530 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.596 3.397 8.644 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.821 4.998 8.567 1.00 13.90 H new ATOM 718 N PHE A 45 2.177 2.867 6.628 1.00 6.75 N ATOM 719 CA PHE A 45 3.415 2.240 7.184 1.00 4.70 C ATOM 720 C PHE A 45 3.878 3.030 8.359 1.00 6.34 C ATOM 721 O PHE A 45 4.109 4.230 8.194 1.00 5.45 O ATOM 722 CB PHE A 45 4.594 2.353 6.198 1.00 5.51 C ATOM 723 CG PHE A 45 5.790 1.704 6.626 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.787 0.400 7.027 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.006 2.463 6.690 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.955 -0.236 7.342 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.223 1.784 6.970 1.00 6.64 C ATOM 728 CZ PHE A 45 8.188 0.407 7.211 1.00 6.84 C ATOM 0 H PHE A 45 2.282 3.860 6.421 1.00 6.75 H new ATOM 0 HA PHE A 45 3.164 1.204 7.410 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.291 1.932 5.240 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.809 3.408 6.029 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.852 -0.135 7.096 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.997 3.531 6.528 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.924 -1.255 7.699 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.159 2.322 6.996 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.107 -0.155 7.295 1.00 6.84 H new ATOM 738 N ALA A 46 4.073 2.395 9.513 1.00 6.53 N ATOM 739 CA ALA A 46 4.599 2.968 10.749 1.00 7.15 C ATOM 740 C ALA A 46 3.848 4.234 11.133 1.00 9.00 C ATOM 741 O ALA A 46 4.369 5.272 11.521 1.00 11.15 O ATOM 742 CB ALA A 46 6.191 3.096 10.857 1.00 8.99 C ATOM 0 H ALA A 46 3.854 1.404 9.616 1.00 6.53 H new ATOM 0 HA ALA A 46 4.395 2.216 11.511 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.456 3.535 11.819 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.642 2.107 10.772 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.560 3.733 10.053 1.00 8.99 H new ATOM 748 N GLY A 47 2.522 4.106 11.145 1.00 9.35 N ATOM 749 CA GLY A 47 1.539 5.085 11.481 1.00 11.68 C ATOM 750 C GLY A 47 1.524 6.247 10.516 1.00 11.14 C ATOM 751 O GLY A 47 0.923 7.253 10.846 1.00 13.93 O ATOM 0 H GLY A 47 2.087 3.219 10.892 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.555 4.617 11.495 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.730 5.456 12.488 1.00 11.68 H new ATOM 755 N LYS A 48 2.144 6.197 9.353 1.00 10.47 N ATOM 756 CA LYS A 48 2.169 7.296 8.427 1.00 8.82 C ATOM 757 C LYS A 48 1.437 6.911 7.180 1.00 7.68 C ATOM 758 O LYS A 48 1.708 5.885 6.535 1.00 6.47 O ATOM 759 CB LYS A 48 3.626 7.628 8.113 1.00 9.74 C ATOM 760 CG LYS A 48 3.902 8.748 7.078 1.00 14.14 C ATOM 761 CD LYS A 48 3.324 10.172 7.286 1.00 16.32 C ATOM 762 CE LYS A 48 4.113 11.012 8.341 1.00 20.04 C ATOM 763 NZ LYS A 48 3.643 12.425 8.513 1.00 23.92 N ATOM 0 H LYS A 48 2.651 5.374 9.026 1.00 10.47 H new ATOM 0 HA LYS A 48 1.682 8.171 8.857 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.115 7.906 9.046 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.109 6.717 7.759 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.984 8.849 6.994 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.540 8.391 6.114 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.329 10.701 6.333 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.283 10.092 7.600 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.052 10.506 9.304 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.165 11.028 8.056 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.226 12.900 9.232 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.728 12.931 7.609 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 2.649 12.425 8.818 1.00 23.92 H new ATOM 777 N GLN A 49 0.307 7.643 6.803 1.00 8.89 N ATOM 778 CA GLN A 49 -0.365 7.465 5.530 1.00 7.18 C ATOM 779 C GLN A 49 0.491 7.792 4.341 1.00 8.23 C ATOM 780 O GLN A 49 0.913 8.938 4.233 1.00 9.70 O ATOM 781 CB GLN A 49 -1.698 8.353 5.558 1.00 11.67 C ATOM 782 CG GLN A 49 -2.769 7.965 6.608 1.00 15.82 C ATOM 783 CD GLN A 49 -4.009 8.913 6.501 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.983 9.825 5.701 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.008 8.678 7.336 1.00 20.67 N ATOM 0 H GLN A 49 -0.122 8.352 7.397 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.603 6.408 5.408 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.412 9.391 5.730 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.157 8.309 4.571 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.080 6.931 6.455 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.343 8.025 7.610 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.958 7.890 7.982 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.828 9.285 7.334 1.00 20.67 H new ATOM 794 N LEU A 50 0.634 6.861 3.368 1.00 6.51 N ATOM 795 CA LEU A 50 1.471 7.027 2.202 1.00 7.41 C ATOM 796 C LEU A 50 0.649 7.654 1.099 1.00 8.27 C ATOM 797 O LEU A 50 -0.565 7.385 0.928 1.00 8.34 O ATOM 798 CB LEU A 50 1.984 5.683 1.693 1.00 7.13 C ATOM 799 CG LEU A 50 2.490 4.699 2.837 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.746 3.269 2.296 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.692 5.235 3.658 1.00 9.11 C ATOM 0 H LEU A 50 0.152 5.962 3.392 1.00 6.51 H new ATOM 0 HA LEU A 50 2.319 7.653 2.478 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.188 5.192 1.133 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.802 5.860 0.995 1.00 7.13 H new ATOM 0 HG LEU A 50 1.667 4.644 3.549 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.090 2.629 3.108 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.822 2.866 1.883 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.507 3.306 1.516 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.971 4.502 4.415 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.538 5.410 2.993 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.413 6.170 4.144 1.00 9.11 H new ATOM 813 N GLU A 51 1.233 8.487 0.254 1.00 9.43 N ATOM 814 CA GLU A 51 0.505 9.127 -0.842 1.00 11.90 C ATOM 815 C GLU A 51 0.904 8.576 -2.210 1.00 11.49 C ATOM 816 O GLU A 51 2.058 8.251 -2.462 1.00 9.88 O ATOM 817 CB GLU A 51 0.973 10.666 -0.778 1.00 16.56 C ATOM 818 CG GLU A 51 0.002 11.630 -1.564 1.00 26.06 C ATOM 819 CD GLU A 51 0.434 13.071 -1.428 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.008 13.569 -0.356 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.294 13.601 -2.131 1.00 33.44 O ATOM 0 H GLU A 51 2.220 8.741 0.303 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.567 8.966 -0.733 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.028 10.982 0.264 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.978 10.754 -1.191 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.017 11.351 -2.618 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.014 11.515 -1.186 1.00 26.06 H new ATOM 828 N ASP A 52 -0.023 8.445 -3.143 1.00 12.71 N ATOM 829 CA ASP A 52 -0.043 7.817 -4.405 1.00 16.56 C ATOM 830 C ASP A 52 1.170 8.010 -5.366 1.00 15.83 C ATOM 831 O ASP A 52 1.874 7.042 -5.638 1.00 17.21 O ATOM 832 CB ASP A 52 -1.265 8.068 -5.293 1.00 21.05 C ATOM 833 CG ASP A 52 -2.478 7.876 -4.433 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.717 8.702 -3.471 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.207 6.886 -4.608 1.00 28.37 O ATOM 0 H ASP A 52 -0.936 8.865 -2.970 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.035 6.809 -3.991 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.241 9.076 -5.706 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.277 7.378 -6.137 1.00 21.05 H new ATOM 840 N GLY A 53 1.468 9.248 -5.733 1.00 15.00 N ATOM 841 CA GLY A 53 2.475 9.797 -6.654 1.00 11.77 C ATOM 842 C GLY A 53 3.863 9.748 -6.143 1.00 11.10 C ATOM 843 O GLY A 53 4.768 10.247 -6.793 1.00 11.25 O ATOM 0 H GLY A 53 0.928 10.014 -5.332 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.427 9.248 -7.594 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.219 10.833 -6.877 1.00 11.77 H new ATOM 847 N ARG A 54 4.049 9.220 -4.945 1.00 8.53 N ATOM 848 CA ARG A 54 5.355 9.021 -4.344 1.00 9.05 C ATOM 849 C ARG A 54 5.796 7.626 -4.398 1.00 8.96 C ATOM 850 O ARG A 54 5.076 6.762 -4.827 1.00 11.60 O ATOM 851 CB ARG A 54 5.255 9.432 -2.896 1.00 7.97 C ATOM 852 CG ARG A 54 4.499 10.743 -2.797 1.00 9.62 C ATOM 853 CD ARG A 54 4.854 11.564 -1.545 1.00 12.20 C ATOM 854 NE ARG A 54 3.874 12.709 -1.401 1.00 18.23 N ATOM 855 CZ ARG A 54 4.000 13.625 -0.435 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.068 13.696 0.329 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.982 14.446 -0.162 1.00 23.38 N ATOM 0 H ARG A 54 3.279 8.911 -4.351 1.00 8.53 H new ATOM 0 HA ARG A 54 6.081 9.614 -4.900 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.743 8.660 -2.322 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.251 9.540 -2.467 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.707 11.341 -3.685 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.429 10.537 -2.795 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.822 10.930 -0.659 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.871 11.949 -1.625 1.00 12.20 H new ATOM 0 HE ARG A 54 3.097 12.784 -2.058 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.836 13.038 0.194 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.128 14.409 1.056 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.112 14.373 -0.690 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.075 15.146 0.574 1.00 23.38 H new ATOM 871 N THR A 55 7.075 7.302 -3.977 1.00 9.05 N ATOM 872 CA THR A 55 7.652 5.964 -4.010 1.00 9.03 C ATOM 873 C THR A 55 7.989 5.481 -2.644 1.00 8.15 C ATOM 874 O THR A 55 8.096 6.153 -1.595 1.00 5.91 O ATOM 875 CB THR A 55 8.970 5.846 -4.805 1.00 11.15 C ATOM 876 OG1 THR A 55 10.062 6.622 -4.335 1.00 11.95 O ATOM 877 CG2 THR A 55 8.710 6.291 -6.273 1.00 11.71 C ATOM 0 H THR A 55 7.718 8.001 -3.604 1.00 9.05 H new ATOM 0 HA THR A 55 6.873 5.376 -4.495 1.00 9.03 H new ATOM 0 HB THR A 55 9.259 4.801 -4.693 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.842 6.470 -4.908 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.634 6.212 -6.846 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.951 5.649 -6.719 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.363 7.324 -6.284 1.00 11.71 H new ATOM 885 N LEU A 56 8.123 4.162 -2.502 1.00 6.91 N ATOM 886 CA LEU A 56 8.572 3.393 -1.373 1.00 8.29 C ATOM 887 C LEU A 56 9.911 3.867 -0.705 1.00 8.05 C ATOM 888 O LEU A 56 10.011 3.956 0.455 1.00 10.17 O ATOM 889 CB LEU A 56 8.617 1.864 -1.816 1.00 6.60 C ATOM 890 CG LEU A 56 7.250 1.353 -2.319 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.299 0.031 -3.181 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.310 1.099 -1.165 1.00 8.64 C ATOM 0 H LEU A 56 7.886 3.546 -3.280 1.00 6.91 H new ATOM 0 HA LEU A 56 7.854 3.549 -0.568 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.360 1.739 -2.604 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.941 1.254 -0.973 1.00 6.60 H new ATOM 0 HG LEU A 56 6.900 2.156 -2.967 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.289 -0.243 -3.485 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.912 0.197 -4.067 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.730 -0.775 -2.587 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.354 0.740 -1.547 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.741 0.349 -0.503 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.155 2.025 -0.612 1.00 8.64 H new ATOM 904 N SER A 57 10.968 4.104 -1.526 1.00 8.92 N ATOM 905 CA SER A 57 12.350 4.502 -1.027 1.00 9.00 C ATOM 906 C SER A 57 12.348 5.818 -0.239 1.00 9.44 C ATOM 907 O SER A 57 12.974 5.908 0.806 1.00 10.91 O ATOM 908 CB SER A 57 13.381 4.500 -2.151 1.00 10.32 C ATOM 909 OG SER A 57 12.967 5.432 -3.154 1.00 13.59 O ATOM 0 H SER A 57 10.908 4.031 -2.542 1.00 8.92 H new ATOM 0 HA SER A 57 12.651 3.733 -0.315 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.363 4.773 -1.764 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.473 3.501 -2.578 1.00 10.32 H new ATOM 0 HG SER A 57 13.623 5.441 -3.882 1.00 13.59 H new ATOM 915 N ASP A 58 11.591 6.746 -0.765 1.00 9.11 N ATOM 916 CA ASP A 58 11.456 8.078 -0.302 1.00 7.91 C ATOM 917 C ASP A 58 10.677 8.078 1.018 1.00 9.12 C ATOM 918 O ASP A 58 10.704 8.979 1.854 1.00 8.61 O ATOM 919 CB ASP A 58 10.684 8.880 -1.408 1.00 8.41 C ATOM 920 CG ASP A 58 10.657 10.331 -1.041 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.712 11.009 -1.042 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.533 10.805 -0.724 1.00 11.70 O ATOM 0 H ASP A 58 11.016 6.564 -1.588 1.00 9.11 H new ATOM 0 HA ASP A 58 12.427 8.538 -0.119 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.169 8.747 -2.375 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.667 8.499 -1.506 1.00 8.41 H new ATOM 927 N TYR A 59 9.896 7.037 1.244 1.00 7.97 N ATOM 928 CA TYR A 59 9.068 6.758 2.416 1.00 8.45 C ATOM 929 C TYR A 59 9.772 5.774 3.357 1.00 10.98 C ATOM 930 O TYR A 59 9.263 5.431 4.421 1.00 12.95 O ATOM 931 CB TYR A 59 7.676 6.074 2.215 1.00 7.94 C ATOM 932 CG TYR A 59 6.529 7.038 1.981 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.197 7.925 2.975 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.849 7.046 0.680 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.215 8.872 2.735 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.875 8.031 0.509 1.00 6.52 C ATOM 937 CZ TYR A 59 4.555 8.909 1.534 1.00 6.76 C ATOM 938 OH TYR A 59 3.513 9.936 1.319 1.00 7.63 O ATOM 0 H TYR A 59 9.814 6.293 0.551 1.00 7.97 H new ATOM 0 HA TYR A 59 8.913 7.774 2.778 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.740 5.392 1.367 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.452 5.469 3.094 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.695 7.885 3.932 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.088 6.334 -0.096 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.966 9.590 3.503 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.362 8.111 -0.438 1.00 6.52 H new ATOM 0 HH TYR A 59 3.729 10.736 1.843 1.00 7.63 H new ATOM 948 N ASN A 60 11.010 5.317 2.932 1.00 12.38 N ATOM 949 CA ASN A 60 11.946 4.587 3.791 1.00 13.94 C ATOM 950 C ASN A 60 11.387 3.190 4.093 1.00 14.16 C ATOM 951 O ASN A 60 11.580 2.692 5.185 1.00 14.26 O ATOM 952 CB ASN A 60 12.454 5.317 5.006 1.00 19.23 C ATOM 953 CG ASN A 60 13.200 6.596 4.701 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.315 7.007 3.542 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.744 7.175 5.727 1.00 24.09 N ATOM 0 H ASN A 60 11.357 5.459 1.983 1.00 12.38 H new ATOM 0 HA ASN A 60 12.866 4.486 3.214 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.609 5.550 5.654 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.112 4.652 5.566 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.303 8.018 5.600 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.612 6.787 6.661 1.00 24.09 H new ATOM 962 N ILE A 61 10.744 2.498 3.042 1.00 11.08 N ATOM 963 CA ILE A 61 10.270 1.188 3.152 1.00 11.78 C ATOM 964 C ILE A 61 11.284 0.193 2.535 1.00 13.74 C ATOM 965 O ILE A 61 11.978 0.396 1.503 1.00 14.60 O ATOM 966 CB ILE A 61 8.936 1.055 2.410 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.796 1.749 3.258 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.562 -0.349 2.043 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.655 2.195 2.351 1.00 11.42 C ATOM 0 H ILE A 61 10.581 2.912 2.124 1.00 11.08 H new ATOM 0 HA ILE A 61 10.134 0.959 4.209 1.00 11.78 H new ATOM 0 HB ILE A 61 9.059 1.562 1.453 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.421 1.056 4.011 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.203 2.609 3.791 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.605 -0.346 1.522 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.328 -0.771 1.393 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.481 -0.952 2.947 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.879 2.671 2.950 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.032 2.905 1.615 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.238 1.328 1.838 1.00 11.42 H new ATOM 981 N GLN A 62 11.413 -0.951 3.289 1.00 13.97 N ATOM 982 CA GLN A 62 12.359 -1.969 3.100 1.00 15.52 C ATOM 983 C GLN A 62 11.731 -3.305 3.033 1.00 13.94 C ATOM 984 O GLN A 62 10.553 -3.532 3.295 1.00 12.15 O ATOM 985 CB GLN A 62 13.394 -1.880 4.323 1.00 19.53 C ATOM 986 CG GLN A 62 14.539 -0.870 4.110 1.00 26.38 C ATOM 987 CD GLN A 62 15.617 -0.937 5.213 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.160 -2.025 5.502 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.053 0.222 5.695 1.00 32.71 N ATOM 0 H GLN A 62 10.795 -1.142 4.077 1.00 13.97 H new ATOM 0 HA GLN A 62 12.868 -1.831 2.146 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.849 -1.608 5.227 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.823 -2.867 4.494 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.005 -1.057 3.143 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.125 0.138 4.075 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.584 1.090 5.437 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.856 0.243 6.323 1.00 32.71 H new ATOM 998 N LYS A 63 12.570 -4.253 2.656 1.00 11.73 N ATOM 999 CA LYS A 63 12.142 -5.594 2.488 1.00 11.97 C ATOM 1000 C LYS A 63 11.576 -6.250 3.797 1.00 10.41 C ATOM 1001 O LYS A 63 12.018 -6.129 4.920 1.00 9.59 O ATOM 1002 CB LYS A 63 13.273 -6.483 1.961 1.00 13.73 C ATOM 1003 CG LYS A 63 14.418 -6.622 3.000 1.00 16.98 C ATOM 1004 CD LYS A 63 15.570 -7.342 2.419 1.00 20.19 C ATOM 1005 CE LYS A 63 16.800 -7.489 3.339 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.542 -8.196 4.591 1.00 25.97 N ATOM 0 H LYS A 63 13.559 -4.097 2.463 1.00 11.73 H new ATOM 0 HA LYS A 63 11.331 -5.532 1.762 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.879 -7.470 1.718 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.668 -6.061 1.037 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.733 -5.634 3.335 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.055 -7.156 3.878 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.240 -8.338 2.122 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.878 -6.824 1.511 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.584 -8.016 2.794 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.185 -6.496 3.570 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.419 -8.249 5.147 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.818 -7.685 5.135 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.205 -9.158 4.383 1.00 25.97 H new ATOM 1020 N GLU A 64 10.506 -7.034 3.568 1.00 10.04 N ATOM 1021 CA GLU A 64 9.753 -7.784 4.556 1.00 10.94 C ATOM 1022 C GLU A 64 9.125 -6.930 5.611 1.00 9.74 C ATOM 1023 O GLU A 64 9.010 -7.316 6.768 1.00 9.42 O ATOM 1024 CB GLU A 64 10.591 -8.902 5.171 1.00 18.31 C ATOM 1025 CG GLU A 64 11.089 -9.857 4.085 1.00 24.16 C ATOM 1026 CD GLU A 64 11.945 -10.922 4.639 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.024 -10.574 5.103 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.595 -12.141 4.445 1.00 32.61 O ATOM 0 H GLU A 64 10.132 -7.159 2.627 1.00 10.04 H new ATOM 0 HA GLU A 64 8.926 -8.238 4.010 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.440 -8.476 5.706 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.996 -9.451 5.901 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.235 -10.305 3.577 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.647 -9.295 3.336 1.00 24.16 H new ATOM 1035 N SER A 65 8.607 -5.773 5.175 1.00 6.85 N ATOM 1036 CA SER A 65 7.816 -4.879 6.025 1.00 6.90 C ATOM 1037 C SER A 65 6.400 -5.237 5.900 1.00 4.72 C ATOM 1038 O SER A 65 5.924 -5.601 4.809 1.00 3.91 O ATOM 1039 CB SER A 65 8.006 -3.383 5.639 1.00 7.28 C ATOM 1040 OG SER A 65 9.373 -2.955 5.598 1.00 10.56 O ATOM 0 H SER A 65 8.726 -5.432 4.221 1.00 6.85 H new ATOM 0 HA SER A 65 8.158 -4.999 7.053 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.554 -3.211 4.662 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.465 -2.764 6.354 1.00 7.28 H new ATOM 0 HG SER A 65 9.813 -3.341 4.812 1.00 10.56 H new ATOM 1046 N THR A 66 5.634 -4.964 6.994 1.00 4.48 N ATOM 1047 CA THR A 66 4.194 -5.076 7.071 1.00 3.80 C ATOM 1048 C THR A 66 3.637 -3.706 6.940 1.00 4.60 C ATOM 1049 O THR A 66 4.033 -2.782 7.657 1.00 5.33 O ATOM 1050 CB THR A 66 3.637 -5.781 8.291 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.062 -7.158 8.314 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.108 -5.802 8.203 1.00 3.40 C ATOM 0 H THR A 66 6.046 -4.648 7.872 1.00 4.48 H new ATOM 0 HA THR A 66 3.884 -5.732 6.257 1.00 3.80 H new ATOM 0 HB THR A 66 3.989 -5.253 9.178 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.696 -7.600 9.108 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.700 -6.308 9.078 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.732 -4.780 8.167 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.803 -6.333 7.302 1.00 3.40 H new ATOM 1060 N LEU A 67 2.737 -3.500 5.948 1.00 4.17 N ATOM 1061 CA LEU A 67 2.028 -2.331 5.694 1.00 3.85 C ATOM 1062 C LEU A 67 0.566 -2.647 5.925 1.00 3.80 C ATOM 1063 O LEU A 67 0.228 -3.829 6.048 1.00 5.54 O ATOM 1064 CB LEU A 67 2.277 -1.704 4.311 1.00 7.18 C ATOM 1065 CG LEU A 67 3.747 -1.362 4.021 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.630 -2.605 3.599 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.909 -0.212 3.069 1.00 11.66 C ATOM 0 H LEU A 67 2.507 -4.237 5.281 1.00 4.17 H new ATOM 0 HA LEU A 67 2.383 -1.556 6.374 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.919 -2.392 3.545 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.682 -0.795 4.226 1.00 7.18 H new ATOM 0 HG LEU A 67 4.140 -1.034 4.984 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.653 -2.278 3.412 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.626 -3.343 4.401 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.221 -3.051 2.693 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.970 -0.021 2.906 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.434 -0.457 2.119 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.441 0.678 3.490 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.311 -1.648 6.050 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.697 -1.815 6.451 1.00 4.17 C ATOM 1081 C HIS A 68 -2.599 -1.335 5.341 1.00 5.32 C ATOM 1082 O HIS A 68 -2.341 -0.249 4.808 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.923 -1.030 7.791 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.942 -1.396 8.877 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.257 -0.746 8.946 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.865 -2.512 9.688 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.086 -1.470 9.826 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.427 -2.519 10.272 1.00 16.30 N ATOM 0 H HIS A 68 -0.063 -0.676 5.868 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.936 -2.864 6.628 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.851 0.039 7.593 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.935 -1.220 8.148 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.507 0.109 8.450 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.644 -3.243 9.847 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.099 -1.207 10.092 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.686 -1.989 4.993 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.570 -1.555 3.940 1.00 3.97 C ATOM 1098 C LEU A 69 -5.894 -1.170 4.589 1.00 5.07 C ATOM 1099 O LEU A 69 -6.648 -1.991 5.104 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.797 -2.737 2.975 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.945 -2.637 1.987 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.902 -1.355 1.059 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.091 -3.904 1.112 1.00 9.96 C ATOM 0 H LEU A 69 -3.983 -2.854 5.445 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.153 -0.711 3.390 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.879 -2.886 2.407 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.949 -3.634 3.575 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.823 -2.541 2.625 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.759 -1.365 0.385 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.936 -0.457 1.677 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.981 -1.359 0.476 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.927 -3.777 0.424 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.174 -4.061 0.544 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.275 -4.768 1.751 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.133 0.174 4.612 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.299 0.823 5.226 1.00 6.26 C ATOM 1117 C VAL A 70 -8.265 1.456 4.278 1.00 9.22 C ATOM 1118 O VAL A 70 -7.869 2.338 3.548 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.846 1.914 6.214 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.045 2.515 6.876 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.953 1.379 7.335 1.00 8.54 C ATOM 0 H VAL A 70 -5.491 0.843 4.187 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.824 0.002 5.715 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.282 2.637 5.626 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.725 3.287 7.576 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.695 2.956 6.120 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.590 1.740 7.415 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.669 2.198 7.996 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.496 0.625 7.904 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.057 0.933 6.904 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.537 1.010 4.303 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.576 1.410 3.408 1.00 16.06 C ATOM 1133 C LEU A 71 -11.132 2.761 3.706 1.00 18.09 C ATOM 1134 O LEU A 71 -11.405 3.066 4.892 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.698 0.316 3.377 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.839 0.437 2.389 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.331 0.354 0.948 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.900 -0.600 2.515 1.00 19.57 C ATOM 0 H LEU A 71 -9.856 0.328 4.992 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.132 1.498 2.417 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.212 -0.643 3.197 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.135 0.270 4.375 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.275 1.407 2.628 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.172 0.444 0.260 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.624 1.163 0.764 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.835 -0.604 0.792 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.670 -0.426 1.764 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.463 -1.587 2.365 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.344 -0.547 3.509 1.00 19.57 H new