USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.239 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.263 K(o=0.5,f=0.00068) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -158:sc= 0.899 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.708 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.419 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.33 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.002) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0.936 (180deg=0.00398) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 2.23 (180deg=0.396!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.465 K(o=-0.46,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.662 K(o=0.66,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.1) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.23 USER MOD Single : A 57 SER OG : rot 54:sc= 1.15 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.722 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.23) USER MOD Single : A 65 SER OG : rot 108:sc= 0.165 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= 0.0179 F(o=-0.62,f=0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.593 -4.589 -4.418 1.00 0.78 N ATOM 2 CA MET A 1 12.527 -5.296 -3.119 1.00 0.70 C ATOM 3 C MET A 1 11.160 -5.764 -2.758 1.00 0.62 C ATOM 4 O MET A 1 10.157 -5.210 -3.207 1.00 0.68 O ATOM 5 CB MET A 1 13.250 -4.519 -2.005 1.00 0.75 C ATOM 6 CG MET A 1 12.413 -3.367 -1.447 1.00 0.79 C ATOM 7 SD MET A 1 13.537 -2.232 -0.580 1.00 1.10 S ATOM 8 CE MET A 1 12.413 -0.811 -0.452 1.00 0.84 C ATOM 0 H1 MET A 1 13.573 -4.293 -4.603 1.00 0.78 H new ATOM 0 H2 MET A 1 12.275 -5.226 -5.176 1.00 0.78 H new ATOM 0 H3 MET A 1 11.978 -3.751 -4.389 1.00 0.78 H new ATOM 0 HA MET A 1 13.087 -6.223 -3.242 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.503 -5.204 -1.196 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.189 -4.125 -2.394 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.893 -2.848 -2.252 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.650 -3.744 -0.765 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.919 0.008 0.058 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.118 -0.489 -1.451 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.526 -1.098 0.113 1.00 0.84 H new ATOM 20 N GLN A 2 11.046 -6.748 -1.850 1.00 0.59 N ATOM 21 CA GLN A 2 9.780 -7.313 -1.496 1.00 0.56 C ATOM 22 C GLN A 2 9.184 -6.529 -0.378 1.00 0.50 C ATOM 23 O GLN A 2 9.893 -6.201 0.572 1.00 0.60 O ATOM 24 CB GLN A 2 9.919 -8.803 -1.139 1.00 0.71 C ATOM 25 CG GLN A 2 8.608 -9.587 -1.054 1.00 1.15 C ATOM 26 CD GLN A 2 8.908 -11.077 -1.136 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.080 -11.692 -0.084 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.986 -11.698 -2.342 1.00 1.72 N ATOM 0 H GLN A 2 11.839 -7.157 -1.356 1.00 0.59 H new ATOM 0 HA GLN A 2 9.109 -7.258 -2.353 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.558 -9.278 -1.883 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.432 -8.882 -0.180 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.094 -9.358 -0.120 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.942 -9.293 -1.865 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.839 -11.166 -3.200 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.191 -12.696 -2.389 1.00 1.72 H new ATOM 37 N ILE A 3 7.926 -6.073 -0.518 1.00 0.44 N ATOM 38 CA ILE A 3 7.123 -5.589 0.561 1.00 0.42 C ATOM 39 C ILE A 3 5.908 -6.450 0.550 1.00 0.40 C ATOM 40 O ILE A 3 5.620 -7.074 -0.469 1.00 0.50 O ATOM 41 CB ILE A 3 6.784 -4.128 0.583 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.930 -3.660 -0.607 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.078 -3.306 0.693 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.063 -2.441 -0.296 1.00 0.72 C ATOM 0 H ILE A 3 7.450 -6.040 -1.419 1.00 0.44 H new ATOM 0 HA ILE A 3 7.711 -5.659 1.476 1.00 0.42 H new ATOM 0 HB ILE A 3 6.157 -3.963 1.460 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.587 -3.424 -1.444 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.287 -4.480 -0.927 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.834 -2.244 0.709 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.601 -3.572 1.611 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.718 -3.518 -0.164 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.489 -2.168 -1.181 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.381 -2.678 0.520 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.700 -1.606 -0.005 1.00 0.72 H new ATOM 56 N PHE A 4 5.176 -6.476 1.679 1.00 0.37 N ATOM 57 CA PHE A 4 3.940 -7.163 1.892 1.00 0.38 C ATOM 58 C PHE A 4 2.931 -6.132 2.264 1.00 0.39 C ATOM 59 O PHE A 4 3.159 -5.254 3.094 1.00 0.60 O ATOM 60 CB PHE A 4 4.081 -8.152 3.062 1.00 0.45 C ATOM 61 CG PHE A 4 5.125 -9.191 2.842 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.195 -9.933 1.686 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.103 -9.272 3.806 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.131 -10.937 1.606 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.047 -10.263 3.688 1.00 1.40 C ATOM 66 CZ PHE A 4 7.002 -11.159 2.645 1.00 0.85 C ATOM 0 H PHE A 4 5.477 -5.972 2.513 1.00 0.37 H new ATOM 0 HA PHE A 4 3.650 -7.713 0.997 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.318 -7.597 3.969 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.122 -8.642 3.230 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.530 -9.731 0.860 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.128 -8.576 4.632 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.182 -11.555 0.721 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.834 -10.340 4.423 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.644 -12.027 2.643 1.00 0.85 H new ATOM 76 N VAL A 5 1.705 -6.206 1.716 1.00 0.35 N ATOM 77 CA VAL A 5 0.551 -5.417 2.017 1.00 0.35 C ATOM 78 C VAL A 5 -0.553 -6.286 2.512 1.00 0.35 C ATOM 79 O VAL A 5 -1.002 -7.183 1.799 1.00 0.46 O ATOM 80 CB VAL A 5 0.080 -4.662 0.810 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.321 -4.041 0.940 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.169 -3.644 0.432 1.00 0.56 C ATOM 0 H VAL A 5 1.504 -6.890 0.987 1.00 0.35 H new ATOM 0 HA VAL A 5 0.832 -4.702 2.790 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.061 -5.373 -0.004 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.573 -3.516 0.018 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.053 -4.828 1.121 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.331 -3.337 1.772 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.851 -3.080 -0.445 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.332 -2.959 1.264 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.097 -4.170 0.208 1.00 0.56 H new ATOM 92 N LYS A 6 -1.137 -6.025 3.695 1.00 0.36 N ATOM 93 CA LYS A 6 -2.177 -6.791 4.307 1.00 0.39 C ATOM 94 C LYS A 6 -3.540 -6.218 4.118 1.00 0.46 C ATOM 95 O LYS A 6 -3.681 -4.998 4.189 1.00 0.53 O ATOM 96 CB LYS A 6 -1.796 -6.980 5.785 1.00 0.54 C ATOM 97 CG LYS A 6 -0.680 -8.018 5.913 1.00 1.22 C ATOM 98 CD LYS A 6 -1.193 -9.459 5.879 1.00 1.37 C ATOM 99 CE LYS A 6 -0.231 -10.429 6.567 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.764 -11.809 6.543 1.00 2.09 N ATOM 0 H LYS A 6 -0.862 -5.223 4.262 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.251 -7.760 3.814 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.470 -6.030 6.209 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.668 -7.300 6.355 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.036 -7.874 5.104 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.143 -7.852 6.847 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.167 -9.508 6.366 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.339 -9.767 4.844 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.738 -10.401 6.069 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.068 -10.116 7.598 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.321 -12.366 7.301 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.794 -11.786 6.687 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.553 -12.247 5.624 1.00 2.09 H new ATOM 114 N THR A 7 -4.605 -7.011 3.907 1.00 0.58 N ATOM 115 CA THR A 7 -5.952 -6.563 3.732 1.00 0.78 C ATOM 116 C THR A 7 -6.723 -6.770 4.990 1.00 0.94 C ATOM 117 O THR A 7 -6.267 -7.359 5.969 1.00 0.99 O ATOM 118 CB THR A 7 -6.594 -7.189 2.530 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.818 -8.560 2.824 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.676 -7.121 1.297 1.00 0.92 C ATOM 0 H THR A 7 -4.520 -8.026 3.856 1.00 0.58 H new ATOM 0 HA THR A 7 -5.947 -5.492 3.529 1.00 0.78 H new ATOM 0 HB THR A 7 -7.517 -6.653 2.309 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.240 -8.995 2.054 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.175 -7.584 0.446 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.455 -6.079 1.065 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.747 -7.651 1.506 1.00 0.92 H new ATOM 128 N LEU A 8 -7.986 -6.307 4.995 1.00 1.17 N ATOM 129 CA LEU A 8 -8.962 -6.615 5.994 1.00 1.39 C ATOM 130 C LEU A 8 -9.035 -8.047 6.398 1.00 1.44 C ATOM 131 O LEU A 8 -9.022 -8.339 7.593 1.00 1.60 O ATOM 132 CB LEU A 8 -10.337 -6.104 5.528 1.00 1.66 C ATOM 133 CG LEU A 8 -11.585 -6.490 6.339 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.461 -6.132 7.830 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.917 -5.941 5.800 1.00 2.43 C ATOM 0 H LEU A 8 -8.343 -5.688 4.267 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.640 -6.101 6.900 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.290 -5.016 5.493 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.488 -6.450 4.505 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.619 -7.573 6.221 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.371 -6.428 8.352 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.609 -6.657 8.261 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.315 -5.057 7.935 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.733 -6.271 6.443 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.883 -4.852 5.787 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -13.080 -6.311 4.788 1.00 2.43 H new ATOM 147 N THR A 9 -9.078 -8.975 5.426 1.00 1.41 N ATOM 148 CA THR A 9 -9.177 -10.380 5.678 1.00 1.51 C ATOM 149 C THR A 9 -7.863 -10.988 6.027 1.00 1.37 C ATOM 150 O THR A 9 -7.806 -12.167 6.377 1.00 1.62 O ATOM 151 CB THR A 9 -9.826 -11.211 4.610 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.056 -11.205 3.417 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.278 -10.757 4.393 1.00 2.08 C ATOM 0 H THR A 9 -9.043 -8.741 4.434 1.00 1.41 H new ATOM 0 HA THR A 9 -9.855 -10.406 6.531 1.00 1.51 H new ATOM 0 HB THR A 9 -9.862 -12.250 4.938 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.500 -11.755 2.738 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.738 -11.368 3.616 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.837 -10.870 5.322 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.290 -9.711 4.087 1.00 2.08 H new ATOM 161 N GLY A 10 -6.809 -10.153 6.041 1.00 1.18 N ATOM 162 CA GLY A 10 -5.419 -10.308 6.337 1.00 1.22 C ATOM 163 C GLY A 10 -4.655 -10.894 5.200 1.00 0.99 C ATOM 164 O GLY A 10 -3.656 -11.544 5.504 1.00 1.31 O ATOM 0 H GLY A 10 -6.979 -9.178 5.794 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -4.995 -9.337 6.593 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.306 -10.946 7.213 1.00 1.22 H new ATOM 168 N LYS A 11 -5.129 -10.728 3.952 1.00 0.73 N ATOM 169 CA LYS A 11 -4.574 -11.354 2.792 1.00 0.60 C ATOM 170 C LYS A 11 -3.262 -10.698 2.533 1.00 0.51 C ATOM 171 O LYS A 11 -3.131 -9.478 2.437 1.00 0.63 O ATOM 172 CB LYS A 11 -5.402 -11.203 1.505 1.00 0.75 C ATOM 173 CG LYS A 11 -4.740 -11.858 0.292 1.00 0.87 C ATOM 174 CD LYS A 11 -5.596 -11.793 -0.974 1.00 1.04 C ATOM 175 CE LYS A 11 -4.806 -12.470 -2.096 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.575 -12.565 -3.358 1.00 1.40 N ATOM 0 H LYS A 11 -5.931 -10.134 3.743 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.524 -12.421 3.010 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.386 -11.645 1.658 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.557 -10.144 1.300 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.784 -11.370 0.101 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.525 -12.901 0.524 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.550 -12.297 -0.818 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.820 -10.758 -1.233 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.887 -11.912 -2.276 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.514 -13.470 -1.777 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.920 -12.706 -4.154 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.233 -13.369 -3.304 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.113 -11.687 -3.504 1.00 1.40 H new ATOM 190 N THR A 12 -2.223 -11.544 2.416 1.00 0.49 N ATOM 191 CA THR A 12 -1.010 -10.892 2.033 1.00 0.48 C ATOM 192 C THR A 12 -0.849 -10.697 0.565 1.00 0.52 C ATOM 193 O THR A 12 -0.955 -11.600 -0.264 1.00 0.72 O ATOM 194 CB THR A 12 0.165 -11.709 2.484 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.068 -12.244 3.779 1.00 0.77 O ATOM 196 CG2 THR A 12 1.491 -10.929 2.483 1.00 0.78 C ATOM 0 H THR A 12 -2.208 -12.553 2.564 1.00 0.49 H new ATOM 0 HA THR A 12 -1.058 -9.910 2.504 1.00 0.48 H new ATOM 0 HB THR A 12 0.267 -12.514 1.756 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.707 -12.775 4.058 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.297 -11.581 2.820 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.706 -10.578 1.474 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.411 -10.074 3.155 1.00 0.78 H new ATOM 204 N ILE A 13 -0.684 -9.417 0.190 1.00 0.48 N ATOM 205 CA ILE A 13 -0.371 -9.110 -1.172 1.00 0.55 C ATOM 206 C ILE A 13 1.104 -8.898 -1.199 1.00 0.51 C ATOM 207 O ILE A 13 1.630 -8.123 -0.401 1.00 0.56 O ATOM 208 CB ILE A 13 -1.178 -7.921 -1.601 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.695 -8.046 -1.378 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.089 -7.742 -3.126 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.318 -6.652 -1.321 1.00 1.55 C ATOM 0 H ILE A 13 -0.764 -8.612 0.811 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.626 -9.898 -1.881 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.761 -7.111 -1.002 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.145 -8.625 -2.184 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.894 -8.583 -0.451 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.679 -6.876 -3.426 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -0.049 -7.590 -3.414 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.476 -8.633 -3.620 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.393 -6.740 -1.163 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.875 -6.089 -0.499 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.131 -6.131 -2.260 1.00 1.55 H new ATOM 223 N THR A 14 1.742 -9.758 -2.012 1.00 0.55 N ATOM 224 CA THR A 14 3.165 -9.718 -2.148 1.00 0.54 C ATOM 225 C THR A 14 3.623 -8.826 -3.249 1.00 0.55 C ATOM 226 O THR A 14 3.282 -9.137 -4.391 1.00 0.72 O ATOM 227 CB THR A 14 3.831 -11.058 -2.260 1.00 0.67 C ATOM 228 OG1 THR A 14 3.424 -11.821 -1.133 1.00 1.08 O ATOM 229 CG2 THR A 14 5.364 -10.929 -2.266 1.00 1.03 C ATOM 0 H THR A 14 1.278 -10.475 -2.570 1.00 0.55 H new ATOM 0 HA THR A 14 3.487 -9.292 -1.198 1.00 0.54 H new ATOM 0 HB THR A 14 3.542 -11.535 -3.197 1.00 0.67 H new ATOM 0 HG1 THR A 14 3.839 -12.708 -1.171 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.812 -11.919 -2.348 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.674 -10.319 -3.114 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.693 -10.458 -1.340 1.00 1.03 H new ATOM 237 N LEU A 15 4.278 -7.686 -2.969 1.00 0.50 N ATOM 238 CA LEU A 15 4.623 -6.774 -4.016 1.00 0.55 C ATOM 239 C LEU A 15 6.099 -6.639 -4.156 1.00 0.52 C ATOM 240 O LEU A 15 6.791 -6.879 -3.167 1.00 0.58 O ATOM 241 CB LEU A 15 4.142 -5.354 -3.668 1.00 0.69 C ATOM 242 CG LEU A 15 2.607 -5.278 -3.605 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.295 -3.897 -3.005 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.061 -5.597 -5.007 1.00 1.55 C ATOM 0 H LEU A 15 4.565 -7.398 -2.034 1.00 0.50 H new ATOM 0 HA LEU A 15 4.164 -7.168 -4.922 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.562 -5.051 -2.709 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.512 -4.650 -4.414 1.00 0.69 H new ATOM 0 HG LEU A 15 2.107 -6.006 -2.966 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.215 -3.769 -2.929 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.740 -3.822 -2.013 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.708 -3.119 -3.648 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.972 -5.550 -4.993 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.446 -4.869 -5.722 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.378 -6.598 -5.302 1.00 1.55 H new ATOM 256 N GLU A 16 6.544 -6.258 -5.367 1.00 0.59 N ATOM 257 CA GLU A 16 7.876 -5.905 -5.754 1.00 0.63 C ATOM 258 C GLU A 16 7.848 -4.427 -5.941 1.00 0.65 C ATOM 259 O GLU A 16 7.130 -3.861 -6.763 1.00 0.81 O ATOM 260 CB GLU A 16 8.206 -6.667 -7.048 1.00 0.76 C ATOM 261 CG GLU A 16 9.602 -6.379 -7.604 1.00 1.41 C ATOM 262 CD GLU A 16 10.764 -6.990 -6.836 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.994 -8.220 -6.688 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.512 -6.158 -6.256 1.00 1.95 O ATOM 0 H GLU A 16 5.901 -6.191 -6.156 1.00 0.59 H new ATOM 0 HA GLU A 16 8.644 -6.166 -5.026 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.115 -7.737 -6.860 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.465 -6.412 -7.806 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.643 -6.738 -8.632 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.742 -5.299 -7.638 1.00 1.41 H new ATOM 271 N VAL A 17 8.579 -3.667 -5.106 1.00 0.61 N ATOM 272 CA VAL A 17 8.648 -2.241 -5.196 1.00 0.63 C ATOM 273 C VAL A 17 10.091 -1.885 -5.309 1.00 0.65 C ATOM 274 O VAL A 17 10.941 -2.664 -4.884 1.00 0.76 O ATOM 275 CB VAL A 17 7.960 -1.459 -4.117 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.457 -1.773 -4.214 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.571 -1.795 -2.747 1.00 0.92 C ATOM 0 H VAL A 17 9.138 -4.055 -4.346 1.00 0.61 H new ATOM 0 HA VAL A 17 8.074 -1.947 -6.075 1.00 0.63 H new ATOM 0 HB VAL A 17 8.097 -0.385 -4.241 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.920 -1.221 -3.443 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.086 -1.479 -5.196 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.299 -2.842 -4.072 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.063 -1.221 -1.972 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.452 -2.860 -2.547 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.631 -1.542 -2.750 1.00 0.92 H new ATOM 287 N GLU A 18 10.401 -0.645 -5.730 1.00 0.68 N ATOM 288 CA GLU A 18 11.578 0.159 -5.616 1.00 0.74 C ATOM 289 C GLU A 18 11.494 1.226 -4.579 1.00 0.71 C ATOM 290 O GLU A 18 10.349 1.574 -4.293 1.00 0.74 O ATOM 291 CB GLU A 18 12.124 0.766 -6.919 1.00 0.88 C ATOM 292 CG GLU A 18 12.488 -0.236 -8.017 1.00 1.16 C ATOM 293 CD GLU A 18 13.656 0.142 -8.917 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.760 -0.112 -8.365 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.496 0.616 -10.073 1.00 2.33 O ATOM 0 H GLU A 18 9.691 -0.121 -6.241 1.00 0.68 H new ATOM 0 HA GLU A 18 12.299 -0.595 -5.298 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.380 1.457 -7.316 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.010 1.354 -6.681 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.715 -1.192 -7.546 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.610 -0.390 -8.644 1.00 1.16 H new ATOM 302 N PRO A 19 12.434 1.727 -3.834 1.00 0.74 N ATOM 303 CA PRO A 19 12.145 2.545 -2.692 1.00 0.74 C ATOM 304 C PRO A 19 11.777 3.927 -3.107 1.00 0.70 C ATOM 305 O PRO A 19 11.311 4.727 -2.296 1.00 0.74 O ATOM 306 CB PRO A 19 13.480 2.715 -1.972 1.00 0.86 C ATOM 307 CG PRO A 19 14.476 1.663 -2.488 1.00 0.95 C ATOM 308 CD PRO A 19 13.740 1.097 -3.713 1.00 0.82 C ATOM 0 HA PRO A 19 11.344 2.092 -2.109 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.872 3.718 -2.142 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.342 2.605 -0.896 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.434 2.107 -2.757 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.679 0.894 -1.743 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.325 1.275 -4.615 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.626 0.017 -3.614 1.00 0.82 H new ATOM 316 N SER A 20 12.017 4.274 -4.383 1.00 0.70 N ATOM 317 CA SER A 20 11.671 5.563 -4.896 1.00 0.74 C ATOM 318 C SER A 20 10.287 5.627 -5.444 1.00 0.71 C ATOM 319 O SER A 20 9.937 6.730 -5.861 1.00 0.80 O ATOM 320 CB SER A 20 12.614 6.018 -6.022 1.00 0.89 C ATOM 321 OG SER A 20 12.898 4.928 -6.888 1.00 1.45 O ATOM 0 H SER A 20 12.455 3.656 -5.066 1.00 0.70 H new ATOM 0 HA SER A 20 11.757 6.220 -4.030 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.156 6.831 -6.585 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.540 6.407 -5.598 1.00 0.89 H new ATOM 0 HG SER A 20 13.498 5.226 -7.603 1.00 1.45 H new ATOM 327 N ASP A 21 9.518 4.525 -5.424 1.00 0.70 N ATOM 328 CA ASP A 21 8.163 4.548 -5.884 1.00 0.73 C ATOM 329 C ASP A 21 7.206 5.217 -4.960 1.00 0.64 C ATOM 330 O ASP A 21 7.507 5.337 -3.772 1.00 0.66 O ATOM 331 CB ASP A 21 7.692 3.112 -6.170 1.00 0.87 C ATOM 332 CG ASP A 21 8.568 2.397 -7.189 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.034 3.121 -8.109 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.435 1.145 -7.174 1.00 1.50 O ATOM 0 H ASP A 21 9.834 3.615 -5.089 1.00 0.70 H new ATOM 0 HA ASP A 21 8.166 5.150 -6.793 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.687 2.544 -5.240 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.665 3.137 -6.534 1.00 0.87 H new ATOM 339 N THR A 22 6.163 5.809 -5.568 1.00 0.63 N ATOM 340 CA THR A 22 5.164 6.525 -4.835 1.00 0.58 C ATOM 341 C THR A 22 4.121 5.585 -4.336 1.00 0.53 C ATOM 342 O THR A 22 3.893 4.463 -4.786 1.00 0.58 O ATOM 343 CB THR A 22 4.537 7.733 -5.464 1.00 0.63 C ATOM 344 OG1 THR A 22 3.927 7.517 -6.728 1.00 0.70 O ATOM 345 CG2 THR A 22 5.567 8.846 -5.720 1.00 0.75 C ATOM 0 H THR A 22 6.010 5.792 -6.576 1.00 0.63 H new ATOM 0 HA THR A 22 5.737 6.969 -4.021 1.00 0.58 H new ATOM 0 HB THR A 22 3.778 8.003 -4.730 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.546 8.359 -7.056 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.071 9.703 -6.176 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.018 9.149 -4.775 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.343 8.476 -6.390 1.00 0.75 H new ATOM 353 N ILE A 23 3.411 6.007 -3.275 1.00 0.51 N ATOM 354 CA ILE A 23 2.325 5.223 -2.775 1.00 0.48 C ATOM 355 C ILE A 23 1.216 5.206 -3.769 1.00 0.48 C ATOM 356 O ILE A 23 0.734 4.097 -3.996 1.00 0.51 O ATOM 357 CB ILE A 23 1.770 5.705 -1.467 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.839 5.945 -0.388 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.710 4.708 -0.970 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.891 4.852 -0.204 1.00 0.73 C ATOM 0 H ILE A 23 3.584 6.876 -2.770 1.00 0.51 H new ATOM 0 HA ILE A 23 2.737 4.228 -2.606 1.00 0.48 H new ATOM 0 HB ILE A 23 1.319 6.680 -1.651 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.354 6.876 -0.622 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.332 6.092 0.566 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.303 5.053 -0.020 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.093 4.635 -1.703 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.168 3.728 -0.834 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.584 5.143 0.585 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.401 3.918 0.070 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.439 4.714 -1.136 1.00 0.73 H new ATOM 372 N GLU A 24 1.017 6.281 -4.553 1.00 0.50 N ATOM 373 CA GLU A 24 0.222 6.351 -5.740 1.00 0.53 C ATOM 374 C GLU A 24 0.649 5.476 -6.867 1.00 0.50 C ATOM 375 O GLU A 24 -0.251 4.971 -7.535 1.00 0.55 O ATOM 376 CB GLU A 24 0.054 7.781 -6.282 1.00 0.64 C ATOM 377 CG GLU A 24 -0.927 7.960 -7.443 1.00 0.95 C ATOM 378 CD GLU A 24 -2.349 7.538 -7.103 1.00 1.05 C ATOM 379 OE1 GLU A 24 -2.943 7.894 -6.050 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.953 6.781 -7.909 1.00 1.62 O ATOM 0 H GLU A 24 1.451 7.178 -4.336 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.732 5.970 -5.377 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.268 8.421 -5.461 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.031 8.141 -6.603 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.930 9.006 -7.749 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.578 7.379 -8.297 1.00 0.95 H new ATOM 387 N ASN A 25 1.941 5.175 -7.098 1.00 0.51 N ATOM 388 CA ASN A 25 2.421 4.282 -8.106 1.00 0.52 C ATOM 389 C ASN A 25 2.336 2.849 -7.708 1.00 0.47 C ATOM 390 O ASN A 25 2.072 1.986 -8.545 1.00 0.53 O ATOM 391 CB ASN A 25 3.887 4.634 -8.411 1.00 0.64 C ATOM 392 CG ASN A 25 3.966 5.472 -9.680 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.464 4.958 -10.681 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.683 6.797 -9.572 1.00 1.57 N ATOM 0 H ASN A 25 2.696 5.582 -6.545 1.00 0.51 H new ATOM 0 HA ASN A 25 1.786 4.405 -8.983 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.320 5.183 -7.575 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.472 3.722 -8.530 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.884 7.426 -10.349 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.270 7.162 -8.714 1.00 1.57 H new ATOM 401 N VAL A 26 2.433 2.538 -6.403 1.00 0.45 N ATOM 402 CA VAL A 26 2.257 1.224 -5.869 1.00 0.44 C ATOM 403 C VAL A 26 0.834 0.840 -6.090 1.00 0.40 C ATOM 404 O VAL A 26 0.565 -0.326 -6.375 1.00 0.44 O ATOM 405 CB VAL A 26 2.556 1.079 -4.406 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.086 -0.233 -3.755 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.091 1.163 -4.378 1.00 0.62 C ATOM 0 H VAL A 26 2.644 3.235 -5.688 1.00 0.45 H new ATOM 0 HA VAL A 26 2.974 0.583 -6.383 1.00 0.44 H new ATOM 0 HB VAL A 26 2.024 1.836 -3.830 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.354 -0.231 -2.698 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.004 -0.322 -3.855 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.567 -1.077 -4.249 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.442 1.069 -3.350 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.511 0.357 -4.980 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.410 2.123 -4.784 1.00 0.62 H new ATOM 417 N LYS A 27 -0.146 1.761 -6.076 1.00 0.40 N ATOM 418 CA LYS A 27 -1.506 1.483 -6.423 1.00 0.41 C ATOM 419 C LYS A 27 -1.794 0.801 -7.716 1.00 0.38 C ATOM 420 O LYS A 27 -2.679 -0.048 -7.809 1.00 0.42 O ATOM 421 CB LYS A 27 -2.427 2.680 -6.137 1.00 0.51 C ATOM 422 CG LYS A 27 -2.434 3.269 -4.725 1.00 0.76 C ATOM 423 CD LYS A 27 -3.450 4.403 -4.576 1.00 0.82 C ATOM 424 CE LYS A 27 -3.069 5.447 -3.525 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.870 6.656 -3.822 1.00 1.11 N ATOM 0 H LYS A 27 0.014 2.734 -5.814 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.754 0.675 -5.734 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.159 3.478 -6.829 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.447 2.379 -6.377 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.663 2.482 -4.006 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.438 3.642 -4.484 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.569 4.899 -5.539 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.419 3.977 -4.315 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.279 5.080 -2.520 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.003 5.668 -3.567 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.072 7.164 -2.938 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.337 7.277 -4.464 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.765 6.377 -4.273 1.00 1.11 H new ATOM 439 N ALA A 28 -1.061 1.226 -8.761 1.00 0.39 N ATOM 440 CA ALA A 28 -1.030 0.462 -9.969 1.00 0.39 C ATOM 441 C ALA A 28 -0.717 -0.990 -9.857 1.00 0.36 C ATOM 442 O ALA A 28 -1.306 -1.875 -10.475 1.00 0.42 O ATOM 443 CB ALA A 28 0.028 1.093 -10.889 1.00 0.51 C ATOM 0 H ALA A 28 -0.502 2.079 -8.772 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.053 0.497 -10.344 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.078 0.533 -11.823 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.244 2.127 -11.100 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.000 1.066 -10.397 1.00 0.51 H new ATOM 449 N LYS A 29 0.258 -1.275 -8.975 1.00 0.39 N ATOM 450 CA LYS A 29 0.739 -2.597 -8.719 1.00 0.43 C ATOM 451 C LYS A 29 -0.241 -3.481 -8.027 1.00 0.44 C ATOM 452 O LYS A 29 -0.619 -4.579 -8.431 1.00 0.54 O ATOM 453 CB LYS A 29 2.121 -2.595 -8.043 1.00 0.54 C ATOM 454 CG LYS A 29 3.165 -1.724 -8.746 1.00 0.65 C ATOM 455 CD LYS A 29 4.376 -1.542 -7.829 1.00 1.08 C ATOM 456 CE LYS A 29 5.522 -0.717 -8.419 1.00 1.24 C ATOM 457 NZ LYS A 29 6.107 -1.125 -9.716 1.00 1.44 N ATOM 0 H LYS A 29 0.728 -0.559 -8.421 1.00 0.39 H new ATOM 0 HA LYS A 29 0.869 -3.048 -9.703 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.009 -2.249 -7.015 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.491 -3.619 -7.996 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.471 -2.189 -9.683 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.736 -0.754 -8.997 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.045 -1.066 -6.906 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.759 -2.526 -7.560 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.168 0.308 -8.526 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.328 -0.701 -7.685 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.869 -0.466 -9.976 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.494 -2.087 -9.635 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.370 -1.109 -10.450 1.00 1.44 H new ATOM 471 N ILE A 30 -0.835 -2.968 -6.935 1.00 0.41 N ATOM 472 CA ILE A 30 -1.985 -3.566 -6.329 1.00 0.44 C ATOM 473 C ILE A 30 -3.176 -3.809 -7.192 1.00 0.45 C ATOM 474 O ILE A 30 -3.855 -4.831 -7.107 1.00 0.56 O ATOM 475 CB ILE A 30 -2.450 -2.794 -5.131 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.164 -2.418 -4.376 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.457 -3.662 -4.358 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.299 -1.837 -2.970 1.00 1.32 C ATOM 0 H ILE A 30 -0.511 -2.123 -6.464 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.595 -4.550 -6.069 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.992 -1.873 -5.345 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -0.543 -3.311 -4.309 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.619 -1.696 -4.984 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.808 -3.118 -3.481 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.304 -3.898 -5.002 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -2.973 -4.586 -4.042 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.309 -1.623 -2.568 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.881 -0.916 -3.011 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -1.804 -2.557 -2.326 1.00 1.32 H new ATOM 490 N GLN A 31 -3.528 -2.891 -8.109 1.00 0.41 N ATOM 491 CA GLN A 31 -4.659 -3.052 -8.969 1.00 0.48 C ATOM 492 C GLN A 31 -4.459 -4.144 -9.961 1.00 0.52 C ATOM 493 O GLN A 31 -5.330 -4.979 -10.203 1.00 0.66 O ATOM 494 CB GLN A 31 -4.996 -1.719 -9.658 1.00 0.52 C ATOM 495 CG GLN A 31 -6.260 -1.768 -10.517 1.00 0.70 C ATOM 496 CD GLN A 31 -6.237 -0.589 -11.479 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.203 -0.013 -11.815 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.471 -0.173 -11.870 1.00 1.43 N ATOM 0 H GLN A 31 -3.018 -2.020 -8.256 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.508 -3.348 -8.352 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.115 -0.948 -8.897 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.154 -1.422 -10.284 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.306 -2.707 -11.069 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.148 -1.725 -9.887 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.301 -0.683 -11.566 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.567 0.649 -12.467 1.00 1.43 H new ATOM 507 N ASP A 32 -3.213 -4.377 -10.412 1.00 0.50 N ATOM 508 CA ASP A 32 -2.811 -5.519 -11.173 1.00 0.60 C ATOM 509 C ASP A 32 -3.018 -6.828 -10.491 1.00 0.65 C ATOM 510 O ASP A 32 -3.401 -7.787 -11.158 1.00 0.81 O ATOM 511 CB ASP A 32 -1.379 -5.321 -11.695 1.00 0.67 C ATOM 512 CG ASP A 32 -0.842 -6.277 -12.751 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.375 -7.352 -12.290 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.762 -5.982 -13.973 1.00 1.51 O ATOM 0 H ASP A 32 -2.443 -3.731 -10.235 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.484 -5.584 -12.028 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.313 -4.311 -12.100 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.707 -5.365 -10.838 1.00 0.67 H new ATOM 519 N LYS A 33 -2.782 -6.897 -9.169 1.00 0.62 N ATOM 520 CA LYS A 33 -2.890 -8.045 -8.322 1.00 0.73 C ATOM 521 C LYS A 33 -4.327 -8.342 -8.060 1.00 0.69 C ATOM 522 O LYS A 33 -4.777 -9.449 -8.351 1.00 0.83 O ATOM 523 CB LYS A 33 -2.154 -7.887 -6.980 1.00 0.85 C ATOM 524 CG LYS A 33 -0.645 -7.697 -7.139 1.00 1.31 C ATOM 525 CD LYS A 33 0.131 -8.938 -7.589 1.00 1.71 C ATOM 526 CE LYS A 33 1.649 -8.795 -7.459 1.00 2.26 C ATOM 527 NZ LYS A 33 2.416 -10.009 -7.818 1.00 2.62 N ATOM 0 H LYS A 33 -2.488 -6.072 -8.646 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.412 -8.868 -8.853 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.567 -7.032 -6.445 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.340 -8.768 -6.365 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.471 -6.899 -7.861 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.236 -7.360 -6.186 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.196 -9.794 -6.999 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.117 -9.154 -8.628 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.979 -7.972 -8.093 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.888 -8.521 -6.431 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.433 -9.824 -7.702 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.133 -10.794 -7.197 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.221 -10.263 -8.808 1.00 2.62 H new ATOM 541 N GLU A 34 -5.049 -7.461 -7.346 1.00 0.63 N ATOM 542 CA GLU A 34 -6.278 -7.679 -6.646 1.00 0.67 C ATOM 543 C GLU A 34 -7.435 -7.062 -7.353 1.00 0.69 C ATOM 544 O GLU A 34 -8.598 -7.448 -7.252 1.00 0.95 O ATOM 545 CB GLU A 34 -6.257 -7.194 -5.187 1.00 0.73 C ATOM 546 CG GLU A 34 -5.342 -7.882 -4.172 1.00 0.83 C ATOM 547 CD GLU A 34 -5.527 -9.392 -4.198 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.610 -9.976 -3.928 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.539 -10.065 -4.597 1.00 1.37 O ATOM 0 H GLU A 34 -4.737 -6.495 -7.250 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.396 -8.762 -6.628 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.993 -6.137 -5.199 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.276 -7.263 -4.806 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.303 -7.637 -4.391 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.555 -7.504 -3.172 1.00 0.83 H new ATOM 556 N GLY A 35 -7.138 -6.079 -8.223 1.00 0.63 N ATOM 557 CA GLY A 35 -8.158 -5.440 -8.995 1.00 0.68 C ATOM 558 C GLY A 35 -8.823 -4.189 -8.534 1.00 0.76 C ATOM 559 O GLY A 35 -9.481 -3.516 -9.326 1.00 1.12 O ATOM 0 H GLY A 35 -6.195 -5.728 -8.391 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.726 -5.226 -9.973 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.946 -6.178 -9.149 1.00 0.68 H new ATOM 563 N ILE A 36 -8.403 -3.772 -7.326 1.00 0.70 N ATOM 564 CA ILE A 36 -8.844 -2.620 -6.601 1.00 0.76 C ATOM 565 C ILE A 36 -8.428 -1.331 -7.221 1.00 0.71 C ATOM 566 O ILE A 36 -7.256 -1.130 -7.536 1.00 0.73 O ATOM 567 CB ILE A 36 -8.369 -2.646 -5.178 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.613 -4.024 -4.538 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.032 -1.507 -4.386 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.229 -4.110 -3.062 1.00 1.16 C ATOM 0 H ILE A 36 -7.690 -4.289 -6.812 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.932 -2.672 -6.632 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.292 -2.483 -5.157 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.668 -4.278 -4.642 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.048 -4.774 -5.092 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.683 -1.531 -3.354 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.769 -0.550 -4.836 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.115 -1.632 -4.406 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.433 -5.114 -2.691 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.167 -3.890 -2.949 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.812 -3.387 -2.492 1.00 1.16 H new ATOM 582 N PRO A 37 -9.235 -0.344 -7.471 1.00 0.75 N ATOM 583 CA PRO A 37 -8.893 0.850 -8.187 1.00 0.79 C ATOM 584 C PRO A 37 -8.017 1.768 -7.404 1.00 0.75 C ATOM 585 O PRO A 37 -8.214 1.826 -6.191 1.00 0.75 O ATOM 586 CB PRO A 37 -10.204 1.627 -8.286 1.00 0.95 C ATOM 587 CG PRO A 37 -11.200 0.492 -8.573 1.00 1.02 C ATOM 588 CD PRO A 37 -10.672 -0.548 -7.573 1.00 0.85 C ATOM 0 HA PRO A 37 -8.399 0.567 -9.117 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.439 2.158 -7.363 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.184 2.369 -9.084 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.233 0.779 -8.377 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.156 0.144 -9.605 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.149 -0.426 -6.601 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.895 -1.559 -7.913 1.00 0.85 H new ATOM 596 N PRO A 38 -7.077 2.466 -7.969 1.00 0.81 N ATOM 597 CA PRO A 38 -6.242 3.310 -7.165 1.00 0.85 C ATOM 598 C PRO A 38 -6.957 4.460 -6.542 1.00 0.89 C ATOM 599 O PRO A 38 -6.465 5.037 -5.573 1.00 0.99 O ATOM 600 CB PRO A 38 -5.255 3.830 -8.207 1.00 1.01 C ATOM 601 CG PRO A 38 -5.056 2.642 -9.161 1.00 1.25 C ATOM 602 CD PRO A 38 -6.458 2.013 -9.205 1.00 0.98 C ATOM 0 HA PRO A 38 -5.816 2.773 -6.318 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.650 4.700 -8.731 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.314 4.134 -7.748 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.725 2.965 -10.148 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.309 1.942 -8.787 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.019 2.345 -10.079 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.408 0.925 -9.253 1.00 0.98 H new ATOM 610 N ASP A 39 -8.201 4.752 -6.959 1.00 0.96 N ATOM 611 CA ASP A 39 -9.007 5.754 -6.334 1.00 1.11 C ATOM 612 C ASP A 39 -9.484 5.329 -4.988 1.00 1.00 C ATOM 613 O ASP A 39 -9.637 6.156 -4.091 1.00 1.14 O ATOM 614 CB ASP A 39 -10.196 6.147 -7.227 1.00 1.39 C ATOM 615 CG ASP A 39 -9.777 6.169 -8.690 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.624 5.096 -9.333 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.633 7.272 -9.281 1.00 2.23 O ATOM 0 H ASP A 39 -8.655 4.285 -7.744 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.372 6.630 -6.197 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.013 5.440 -7.087 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.570 7.128 -6.935 1.00 1.39 H new ATOM 622 N GLN A 40 -9.692 4.006 -4.867 1.00 0.87 N ATOM 623 CA GLN A 40 -10.278 3.407 -3.709 1.00 0.84 C ATOM 624 C GLN A 40 -9.284 2.864 -2.742 1.00 0.67 C ATOM 625 O GLN A 40 -9.579 2.838 -1.549 1.00 0.80 O ATOM 626 CB GLN A 40 -11.149 2.221 -4.158 1.00 0.95 C ATOM 627 CG GLN A 40 -12.510 2.569 -4.763 1.00 1.32 C ATOM 628 CD GLN A 40 -13.392 1.351 -5.003 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.923 0.216 -4.947 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.674 1.704 -5.288 1.00 2.02 N ATOM 0 H GLN A 40 -9.446 3.335 -5.594 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.841 4.196 -3.210 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.587 1.642 -4.891 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.313 1.572 -3.298 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.029 3.260 -4.099 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.357 3.090 -5.708 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.940 2.688 -5.303 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.369 0.984 -5.486 1.00 2.02 H new ATOM 639 N GLN A 41 -8.054 2.563 -3.197 1.00 0.56 N ATOM 640 CA GLN A 41 -7.001 2.061 -2.370 1.00 0.51 C ATOM 641 C GLN A 41 -6.396 3.132 -1.528 1.00 0.49 C ATOM 642 O GLN A 41 -5.918 4.170 -1.984 1.00 0.65 O ATOM 643 CB GLN A 41 -5.815 1.476 -3.156 1.00 0.67 C ATOM 644 CG GLN A 41 -6.103 0.300 -4.090 1.00 0.69 C ATOM 645 CD GLN A 41 -4.822 -0.041 -4.837 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.712 0.010 -4.310 1.00 0.66 O ATOM 647 NE2 GLN A 41 -4.902 -0.296 -6.171 1.00 0.61 N ATOM 0 H GLN A 41 -7.784 2.673 -4.174 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.495 1.288 -1.782 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.375 2.278 -3.749 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.058 1.159 -2.438 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.451 -0.561 -3.520 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.895 0.558 -4.793 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.813 -0.343 -6.628 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.051 -0.441 -6.715 1.00 0.61 H new ATOM 656 N ARG A 42 -6.391 2.975 -0.193 1.00 0.47 N ATOM 657 CA ARG A 42 -5.621 3.839 0.646 1.00 0.55 C ATOM 658 C ARG A 42 -4.693 2.957 1.408 1.00 0.46 C ATOM 659 O ARG A 42 -4.977 1.809 1.749 1.00 0.52 O ATOM 660 CB ARG A 42 -6.482 4.722 1.564 1.00 0.73 C ATOM 661 CG ARG A 42 -5.783 5.624 2.584 1.00 1.04 C ATOM 662 CD ARG A 42 -6.691 6.616 3.314 1.00 1.28 C ATOM 663 NE ARG A 42 -7.133 7.656 2.341 1.00 1.69 N ATOM 664 CZ ARG A 42 -7.508 8.893 2.780 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.012 9.051 4.039 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.281 10.076 2.140 1.00 2.78 N ATOM 0 H ARG A 42 -6.916 2.255 0.303 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.070 4.560 0.042 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.098 5.358 0.928 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.160 4.067 2.112 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.292 4.993 3.325 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.000 6.183 2.072 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.554 6.100 3.736 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.158 7.077 4.145 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.155 7.442 1.344 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.109 8.243 4.654 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.291 9.977 4.364 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -6.789 10.086 1.247 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -7.604 10.950 2.555 1.00 2.78 H new ATOM 680 N LEU A 43 -3.449 3.389 1.681 1.00 0.46 N ATOM 681 CA LEU A 43 -2.550 2.567 2.430 1.00 0.42 C ATOM 682 C LEU A 43 -2.283 3.154 3.773 1.00 0.43 C ATOM 683 O LEU A 43 -2.291 4.354 4.044 1.00 0.55 O ATOM 684 CB LEU A 43 -1.269 2.389 1.597 1.00 0.55 C ATOM 685 CG LEU A 43 -1.211 1.502 0.342 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.654 0.033 0.471 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.033 2.185 -0.765 1.00 1.12 C ATOM 0 H LEU A 43 -3.070 4.290 1.390 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.990 1.588 2.618 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.958 3.387 1.287 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.505 2.014 2.278 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.147 1.420 0.119 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.557 -0.462 -0.495 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.026 -0.474 1.203 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -2.694 -0.006 0.796 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.007 1.574 -1.667 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -3.065 2.299 -0.434 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.610 3.166 -0.979 1.00 1.12 H new ATOM 699 N ILE A 44 -2.003 2.273 4.751 1.00 0.42 N ATOM 700 CA ILE A 44 -1.725 2.617 6.111 1.00 0.46 C ATOM 701 C ILE A 44 -0.469 1.827 6.253 1.00 0.42 C ATOM 702 O ILE A 44 -0.349 0.679 5.826 1.00 0.53 O ATOM 703 CB ILE A 44 -2.898 2.136 6.915 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.027 3.177 6.987 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.402 1.764 8.322 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.182 2.589 7.796 1.00 1.27 C ATOM 0 H ILE A 44 -1.969 1.267 4.583 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.598 3.656 6.416 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.325 1.263 6.422 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.667 4.094 7.453 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.363 3.440 5.984 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.241 1.412 8.922 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.653 0.976 8.247 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.960 2.641 8.796 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.992 3.316 7.856 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.543 1.683 7.309 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.836 2.347 8.801 1.00 1.27 H new ATOM 718 N PHE A 45 0.541 2.388 6.942 1.00 0.42 N ATOM 719 CA PHE A 45 1.749 1.766 7.389 1.00 0.46 C ATOM 720 C PHE A 45 2.197 2.567 8.563 1.00 0.68 C ATOM 721 O PHE A 45 2.067 3.789 8.603 1.00 1.50 O ATOM 722 CB PHE A 45 2.879 1.642 6.353 1.00 0.56 C ATOM 723 CG PHE A 45 4.174 1.118 6.869 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.249 -0.235 7.101 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.196 1.972 7.212 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.411 -0.754 7.623 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.342 1.404 7.715 1.00 1.33 C ATOM 728 CZ PHE A 45 6.490 0.050 7.904 1.00 1.02 C ATOM 0 H PHE A 45 0.506 3.371 7.211 1.00 0.42 H new ATOM 0 HA PHE A 45 1.526 0.724 7.621 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.539 0.990 5.548 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.054 2.624 5.915 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.411 -0.879 6.878 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.102 3.041 7.091 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.477 -1.815 7.816 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.166 2.052 7.974 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.420 -0.367 8.260 1.00 1.02 H new ATOM 738 N ALA A 46 2.657 1.884 9.625 1.00 0.81 N ATOM 739 CA ALA A 46 3.185 2.243 10.906 1.00 0.96 C ATOM 740 C ALA A 46 2.184 2.725 11.898 1.00 0.97 C ATOM 741 O ALA A 46 2.210 2.200 13.011 1.00 1.21 O ATOM 742 CB ALA A 46 4.517 3.001 10.780 1.00 1.20 C ATOM 0 H ALA A 46 2.653 0.866 9.559 1.00 0.81 H new ATOM 0 HA ALA A 46 3.470 1.321 11.413 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.886 3.256 11.773 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.248 2.371 10.272 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.363 3.914 10.205 1.00 1.20 H new ATOM 748 N GLY A 47 1.307 3.680 11.543 1.00 0.99 N ATOM 749 CA GLY A 47 0.380 4.183 12.509 1.00 1.10 C ATOM 750 C GLY A 47 -0.539 5.091 11.766 1.00 1.03 C ATOM 751 O GLY A 47 -1.690 5.292 12.150 1.00 1.30 O ATOM 0 H GLY A 47 1.238 4.095 10.614 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.172 3.370 12.980 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.898 4.719 13.304 1.00 1.10 H new ATOM 755 N LYS A 48 -0.110 5.648 10.619 1.00 0.98 N ATOM 756 CA LYS A 48 -0.800 6.674 9.902 1.00 1.05 C ATOM 757 C LYS A 48 -1.203 6.263 8.528 1.00 0.84 C ATOM 758 O LYS A 48 -0.822 5.250 7.942 1.00 0.81 O ATOM 759 CB LYS A 48 0.104 7.917 9.969 1.00 1.42 C ATOM 760 CG LYS A 48 1.378 7.828 9.125 1.00 1.61 C ATOM 761 CD LYS A 48 2.349 8.925 9.564 1.00 1.87 C ATOM 762 CE LYS A 48 3.741 8.904 8.930 1.00 2.22 C ATOM 763 NZ LYS A 48 4.552 7.734 9.338 1.00 2.55 N ATOM 0 H LYS A 48 0.762 5.368 10.170 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.765 6.898 10.357 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.470 8.785 9.645 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.384 8.090 11.008 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.840 6.848 9.244 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.137 7.941 8.068 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.891 9.891 9.349 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.467 8.862 10.646 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.639 8.906 7.845 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.270 9.817 9.202 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.482 7.778 8.875 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.678 7.742 10.370 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.066 6.859 9.055 1.00 2.55 H new ATOM 777 N GLN A 49 -2.214 6.989 8.019 1.00 0.84 N ATOM 778 CA GLN A 49 -2.664 6.957 6.662 1.00 0.80 C ATOM 779 C GLN A 49 -1.602 7.637 5.869 1.00 0.72 C ATOM 780 O GLN A 49 -1.232 8.775 6.149 1.00 0.83 O ATOM 781 CB GLN A 49 -4.062 7.563 6.453 1.00 1.03 C ATOM 782 CG GLN A 49 -5.075 7.027 7.467 1.00 1.67 C ATOM 783 CD GLN A 49 -6.369 7.816 7.331 1.00 1.92 C ATOM 784 OE1 GLN A 49 -7.356 7.103 7.158 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.268 9.163 7.484 1.00 2.48 N ATOM 0 H GLN A 49 -2.751 7.640 8.592 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.804 5.928 6.331 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.003 8.648 6.538 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.407 7.340 5.443 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.259 5.967 7.292 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.681 7.120 8.479 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.353 9.594 7.620 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.107 9.743 7.463 1.00 2.48 H new ATOM 794 N LEU A 50 -1.058 7.007 4.811 1.00 0.69 N ATOM 795 CA LEU A 50 0.017 7.454 3.981 1.00 0.66 C ATOM 796 C LEU A 50 -0.525 8.381 2.947 1.00 0.72 C ATOM 797 O LEU A 50 -1.574 8.209 2.328 1.00 0.90 O ATOM 798 CB LEU A 50 0.668 6.310 3.185 1.00 0.65 C ATOM 799 CG LEU A 50 1.201 5.095 3.964 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.730 3.993 3.029 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.155 5.489 5.105 1.00 0.74 C ATOM 0 H LEU A 50 -1.407 6.097 4.511 1.00 0.69 H new ATOM 0 HA LEU A 50 0.748 7.913 4.647 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.064 5.948 2.463 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.497 6.730 2.615 1.00 0.65 H new ATOM 0 HG LEU A 50 0.352 4.642 4.476 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.096 3.156 3.624 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.926 3.651 2.378 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.544 4.390 2.423 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.499 4.591 5.618 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.012 6.023 4.695 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.631 6.133 5.811 1.00 0.74 H new ATOM 813 N GLU A 51 0.188 9.463 2.588 1.00 0.70 N ATOM 814 CA GLU A 51 -0.229 10.267 1.481 1.00 0.76 C ATOM 815 C GLU A 51 0.253 9.579 0.250 1.00 0.77 C ATOM 816 O GLU A 51 1.241 8.848 0.240 1.00 1.23 O ATOM 817 CB GLU A 51 0.444 11.637 1.672 1.00 0.88 C ATOM 818 CG GLU A 51 -0.224 12.511 2.735 1.00 1.35 C ATOM 819 CD GLU A 51 0.561 13.810 2.854 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.536 13.791 3.651 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.220 14.786 2.134 1.00 1.94 O ATOM 0 H GLU A 51 1.039 9.778 3.054 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.308 10.404 1.407 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.488 11.483 1.945 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.438 12.170 0.721 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.259 12.717 2.461 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.246 11.992 3.693 1.00 1.35 H new ATOM 828 N ASP A 52 -0.501 9.838 -0.834 1.00 0.66 N ATOM 829 CA ASP A 52 -0.412 9.122 -2.068 1.00 0.65 C ATOM 830 C ASP A 52 0.770 9.550 -2.868 1.00 0.60 C ATOM 831 O ASP A 52 1.594 8.740 -3.290 1.00 0.62 O ATOM 832 CB ASP A 52 -1.664 9.357 -2.930 1.00 0.81 C ATOM 833 CG ASP A 52 -2.922 9.195 -2.088 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.262 8.076 -1.619 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.656 10.207 -1.935 1.00 1.56 O ATOM 0 H ASP A 52 -1.202 10.578 -0.850 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.319 8.068 -1.806 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.634 10.357 -3.363 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.680 8.651 -3.760 1.00 0.81 H new ATOM 840 N GLY A 53 0.845 10.857 -3.176 1.00 0.68 N ATOM 841 CA GLY A 53 1.981 11.527 -3.728 1.00 0.73 C ATOM 842 C GLY A 53 3.273 11.554 -2.987 1.00 0.72 C ATOM 843 O GLY A 53 4.050 12.430 -3.367 1.00 0.97 O ATOM 0 H GLY A 53 0.057 11.488 -3.029 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.177 11.079 -4.702 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.690 12.562 -3.906 1.00 0.73 H new ATOM 847 N ARG A 54 3.572 10.713 -1.982 1.00 0.64 N ATOM 848 CA ARG A 54 4.855 10.722 -1.348 1.00 0.63 C ATOM 849 C ARG A 54 5.505 9.449 -1.768 1.00 0.59 C ATOM 850 O ARG A 54 4.832 8.653 -2.422 1.00 0.62 O ATOM 851 CB ARG A 54 4.868 10.928 0.176 1.00 0.69 C ATOM 852 CG ARG A 54 4.265 12.276 0.577 1.00 0.82 C ATOM 853 CD ARG A 54 4.546 12.718 2.015 1.00 1.18 C ATOM 854 NE ARG A 54 3.827 13.999 2.261 1.00 1.50 N ATOM 855 CZ ARG A 54 4.366 15.209 1.929 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.529 15.409 1.242 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.786 16.383 2.313 1.00 2.49 N ATOM 0 H ARG A 54 2.922 10.023 -1.606 1.00 0.64 H new ATOM 0 HA ARG A 54 5.404 11.606 -1.672 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.310 10.124 0.655 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.893 10.866 0.542 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.644 13.041 -0.101 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.186 12.229 0.433 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.213 11.955 2.718 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.617 12.848 2.169 1.00 1.18 H new ATOM 0 HE ARG A 54 2.903 13.972 2.691 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.080 14.610 0.928 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.847 16.357 1.043 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.927 16.372 2.863 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.212 17.272 2.050 1.00 2.49 H new ATOM 871 N THR A 55 6.776 9.172 -1.428 1.00 0.63 N ATOM 872 CA THR A 55 7.379 7.894 -1.645 1.00 0.61 C ATOM 873 C THR A 55 7.510 6.998 -0.462 1.00 0.59 C ATOM 874 O THR A 55 7.194 7.226 0.704 1.00 0.64 O ATOM 875 CB THR A 55 8.765 8.001 -2.210 1.00 0.68 C ATOM 876 OG1 THR A 55 9.685 8.628 -1.329 1.00 0.75 O ATOM 877 CG2 THR A 55 8.746 9.001 -3.379 1.00 0.76 C ATOM 0 H THR A 55 7.399 9.852 -0.992 1.00 0.63 H new ATOM 0 HA THR A 55 6.662 7.452 -2.337 1.00 0.61 H new ATOM 0 HB THR A 55 9.054 6.977 -2.448 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.426 9.564 -1.198 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.748 9.088 -3.799 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.059 8.648 -4.148 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.417 9.976 -3.019 1.00 0.76 H new ATOM 885 N LEU A 56 7.925 5.765 -0.801 1.00 0.58 N ATOM 886 CA LEU A 56 8.238 4.796 0.203 1.00 0.59 C ATOM 887 C LEU A 56 9.417 5.178 1.031 1.00 0.64 C ATOM 888 O LEU A 56 9.373 5.012 2.248 1.00 0.70 O ATOM 889 CB LEU A 56 8.590 3.450 -0.450 1.00 0.60 C ATOM 890 CG LEU A 56 7.375 2.829 -1.160 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.829 1.858 -2.262 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.323 2.217 -0.220 1.00 1.03 C ATOM 0 H LEU A 56 8.043 5.441 -1.761 1.00 0.58 H new ATOM 0 HA LEU A 56 7.352 4.732 0.835 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.397 3.594 -1.168 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.959 2.762 0.310 1.00 0.60 H new ATOM 0 HG LEU A 56 6.845 3.657 -1.631 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.955 1.429 -2.752 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.429 2.396 -2.996 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.425 1.060 -1.820 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.505 1.804 -0.810 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.781 1.424 0.371 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.937 2.989 0.446 1.00 1.03 H new ATOM 904 N SER A 57 10.421 5.873 0.467 1.00 0.68 N ATOM 905 CA SER A 57 11.579 6.354 1.154 1.00 0.75 C ATOM 906 C SER A 57 11.389 7.376 2.221 1.00 0.76 C ATOM 907 O SER A 57 12.116 7.488 3.206 1.00 0.84 O ATOM 908 CB SER A 57 12.734 6.814 0.247 1.00 0.84 C ATOM 909 OG SER A 57 13.254 5.848 -0.655 1.00 1.19 O ATOM 0 H SER A 57 10.424 6.112 -0.525 1.00 0.68 H new ATOM 0 HA SER A 57 11.846 5.426 1.660 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.392 7.672 -0.332 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.549 7.162 0.882 1.00 0.84 H new ATOM 0 HG SER A 57 12.524 5.476 -1.193 1.00 1.19 H new ATOM 915 N ASP A 58 10.417 8.270 1.969 1.00 0.75 N ATOM 916 CA ASP A 58 9.894 9.283 2.832 1.00 0.78 C ATOM 917 C ASP A 58 9.398 8.646 4.085 1.00 0.77 C ATOM 918 O ASP A 58 9.604 9.119 5.201 1.00 0.86 O ATOM 919 CB ASP A 58 8.833 10.184 2.177 1.00 0.83 C ATOM 920 CG ASP A 58 9.367 10.897 0.943 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.299 11.733 1.088 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.713 10.723 -0.120 1.00 1.86 O ATOM 0 H ASP A 58 9.949 8.282 1.063 1.00 0.75 H new ATOM 0 HA ASP A 58 10.710 9.967 3.066 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.968 9.582 1.901 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.489 10.923 2.901 1.00 0.83 H new ATOM 927 N TYR A 59 8.691 7.504 4.023 1.00 0.72 N ATOM 928 CA TYR A 59 8.145 6.857 5.176 1.00 0.73 C ATOM 929 C TYR A 59 8.975 5.795 5.812 1.00 0.76 C ATOM 930 O TYR A 59 8.627 5.255 6.861 1.00 0.89 O ATOM 931 CB TYR A 59 6.808 6.210 4.777 1.00 0.73 C ATOM 932 CG TYR A 59 5.846 7.296 4.441 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.456 8.219 5.383 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.225 7.356 3.215 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.542 9.195 5.061 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.341 8.338 2.830 1.00 0.70 C ATOM 937 CZ TYR A 59 3.977 9.234 3.808 1.00 0.74 C ATOM 938 OH TYR A 59 2.831 10.033 3.608 1.00 0.86 O ATOM 0 H TYR A 59 8.494 7.017 3.149 1.00 0.72 H new ATOM 0 HA TYR A 59 8.064 7.650 5.920 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.947 5.548 3.923 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.422 5.600 5.594 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.869 8.177 6.380 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.447 6.575 2.503 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.266 9.936 5.797 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.957 8.401 1.823 1.00 0.70 H new ATOM 0 HH TYR A 59 2.854 10.798 4.221 1.00 0.86 H new ATOM 948 N ASN A 60 10.198 5.598 5.288 1.00 0.74 N ATOM 949 CA ASN A 60 11.184 4.751 5.886 1.00 0.79 C ATOM 950 C ASN A 60 10.836 3.309 5.761 1.00 0.75 C ATOM 951 O ASN A 60 11.177 2.414 6.534 1.00 0.86 O ATOM 952 CB ASN A 60 11.682 5.137 7.290 1.00 0.95 C ATOM 953 CG ASN A 60 12.284 6.533 7.235 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.299 6.754 6.578 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.704 7.557 7.917 1.00 1.83 N ATOM 0 H ASN A 60 10.510 6.040 4.424 1.00 0.74 H new ATOM 0 HA ASN A 60 12.070 4.937 5.279 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.858 5.110 8.003 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.426 4.419 7.636 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.112 8.491 7.878 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.861 7.391 8.467 1.00 1.83 H new ATOM 962 N ILE A 61 10.117 3.062 4.651 1.00 0.67 N ATOM 963 CA ILE A 61 9.621 1.763 4.316 1.00 0.65 C ATOM 964 C ILE A 61 10.693 0.945 3.683 1.00 0.66 C ATOM 965 O ILE A 61 11.277 1.270 2.649 1.00 0.75 O ATOM 966 CB ILE A 61 8.386 1.833 3.468 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.302 2.607 4.238 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.871 0.449 3.037 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.120 3.175 3.453 1.00 0.82 C ATOM 0 H ILE A 61 9.875 3.782 3.970 1.00 0.67 H new ATOM 0 HA ILE A 61 9.324 1.267 5.240 1.00 0.65 H new ATOM 0 HB ILE A 61 8.640 2.354 2.545 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.903 1.944 5.006 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.788 3.436 4.753 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.976 0.568 2.426 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.640 -0.061 2.458 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.631 -0.141 3.921 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.445 3.692 4.135 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.485 3.877 2.703 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.586 2.362 2.960 1.00 0.82 H new ATOM 981 N GLN A 62 11.072 -0.203 4.271 1.00 0.67 N ATOM 982 CA GLN A 62 12.174 -1.009 3.845 1.00 0.70 C ATOM 983 C GLN A 62 11.619 -2.313 3.388 1.00 0.62 C ATOM 984 O GLN A 62 10.408 -2.524 3.431 1.00 0.64 O ATOM 985 CB GLN A 62 13.199 -1.216 4.975 1.00 0.85 C ATOM 986 CG GLN A 62 13.850 0.113 5.358 1.00 1.27 C ATOM 987 CD GLN A 62 15.358 0.034 5.558 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.792 0.375 6.656 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.178 -0.170 4.492 1.00 2.16 N ATOM 0 H GLN A 62 10.587 -0.588 5.082 1.00 0.67 H new ATOM 0 HA GLN A 62 12.707 -0.510 3.036 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.707 -1.651 5.845 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.964 -1.923 4.655 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.636 0.847 4.581 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.391 0.478 6.277 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.786 -0.453 3.594 1.00 2.16 H new ATOM 0 HE22 GLN A 62 17.185 -0.040 4.591 1.00 2.16 H new ATOM 998 N LYS A 63 12.416 -3.320 2.987 1.00 0.64 N ATOM 999 CA LYS A 63 11.983 -4.621 2.584 1.00 0.62 C ATOM 1000 C LYS A 63 11.317 -5.471 3.610 1.00 0.59 C ATOM 1001 O LYS A 63 11.491 -5.234 4.805 1.00 0.66 O ATOM 1002 CB LYS A 63 13.123 -5.387 1.891 1.00 0.74 C ATOM 1003 CG LYS A 63 14.223 -5.968 2.782 1.00 0.89 C ATOM 1004 CD LYS A 63 15.414 -6.399 1.924 1.00 1.11 C ATOM 1005 CE LYS A 63 16.551 -6.927 2.801 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.325 -8.289 3.334 1.00 2.12 N ATOM 0 H LYS A 63 13.430 -3.217 2.942 1.00 0.64 H new ATOM 0 HA LYS A 63 11.177 -4.407 1.882 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.682 -6.206 1.323 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.592 -4.716 1.171 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.541 -5.225 3.514 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.838 -6.821 3.340 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.101 -7.172 1.221 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.767 -5.554 1.333 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.473 -6.925 2.220 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.698 -6.242 3.636 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.050 -8.507 4.047 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.383 -8.339 3.772 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.383 -8.979 2.558 1.00 2.12 H new ATOM 1020 N GLU A 64 10.460 -6.387 3.126 1.00 0.57 N ATOM 1021 CA GLU A 64 9.821 -7.494 3.770 1.00 0.58 C ATOM 1022 C GLU A 64 8.886 -7.081 4.855 1.00 0.56 C ATOM 1023 O GLU A 64 8.459 -7.844 5.719 1.00 0.70 O ATOM 1024 CB GLU A 64 10.810 -8.591 4.198 1.00 0.72 C ATOM 1025 CG GLU A 64 11.721 -9.083 3.070 1.00 0.96 C ATOM 1026 CD GLU A 64 13.043 -9.657 3.557 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.820 -8.925 4.227 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.359 -10.823 3.201 1.00 1.69 O ATOM 0 H GLU A 64 10.179 -6.340 2.146 1.00 0.57 H new ATOM 0 HA GLU A 64 9.189 -7.954 3.010 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.429 -8.211 5.011 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.249 -9.438 4.593 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.194 -9.845 2.496 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.923 -8.255 2.391 1.00 0.96 H new ATOM 1035 N SER A 65 8.462 -5.807 4.786 1.00 0.51 N ATOM 1036 CA SER A 65 7.693 -5.149 5.796 1.00 0.51 C ATOM 1037 C SER A 65 6.222 -5.313 5.630 1.00 0.43 C ATOM 1038 O SER A 65 5.856 -5.688 4.517 1.00 0.50 O ATOM 1039 CB SER A 65 7.935 -3.630 5.767 1.00 0.65 C ATOM 1040 OG SER A 65 9.248 -3.331 6.217 1.00 1.04 O ATOM 0 H SER A 65 8.665 -5.207 3.987 1.00 0.51 H new ATOM 0 HA SER A 65 8.019 -5.613 6.727 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.796 -3.252 4.754 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.203 -3.126 6.399 1.00 0.65 H new ATOM 0 HG SER A 65 9.797 -3.046 5.457 1.00 1.04 H new ATOM 1046 N THR A 66 5.416 -5.104 6.686 1.00 0.45 N ATOM 1047 CA THR A 66 4.017 -5.395 6.647 1.00 0.45 C ATOM 1048 C THR A 66 3.214 -4.153 6.463 1.00 0.43 C ATOM 1049 O THR A 66 3.080 -3.454 7.466 1.00 0.58 O ATOM 1050 CB THR A 66 3.471 -6.204 7.786 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.081 -7.483 7.885 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.951 -6.434 7.771 1.00 0.78 C ATOM 0 H THR A 66 5.739 -4.729 7.578 1.00 0.45 H new ATOM 0 HA THR A 66 3.918 -6.046 5.779 1.00 0.45 H new ATOM 0 HB THR A 66 3.711 -5.577 8.645 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.695 -7.972 8.641 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.665 -7.029 8.638 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.437 -5.473 7.805 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.672 -6.963 6.860 1.00 0.78 H new ATOM 1060 N LEU A 67 2.765 -3.708 5.275 1.00 0.38 N ATOM 1061 CA LEU A 67 1.982 -2.542 5.001 1.00 0.38 C ATOM 1062 C LEU A 67 0.553 -2.961 5.050 1.00 0.37 C ATOM 1063 O LEU A 67 0.216 -4.144 5.043 1.00 0.50 O ATOM 1064 CB LEU A 67 2.300 -1.991 3.602 1.00 0.46 C ATOM 1065 CG LEU A 67 3.606 -1.177 3.562 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.871 -2.017 3.321 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.463 -0.021 2.558 1.00 1.31 C ATOM 0 H LEU A 67 2.974 -4.221 4.419 1.00 0.38 H new ATOM 0 HA LEU A 67 2.199 -1.760 5.728 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.373 -2.820 2.898 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.475 -1.361 3.269 1.00 0.46 H new ATOM 0 HG LEU A 67 3.757 -0.765 4.560 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.744 -1.364 3.308 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.978 -2.751 4.120 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.789 -2.532 2.364 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.389 0.554 2.531 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.257 -0.424 1.566 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.642 0.627 2.864 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.368 -1.987 5.164 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.780 -2.183 5.264 1.00 0.37 C ATOM 1081 C HIS A 68 -2.554 -1.476 4.204 1.00 0.35 C ATOM 1082 O HIS A 68 -2.179 -0.455 3.629 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.294 -1.842 6.672 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.504 -2.367 7.834 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.739 -3.485 7.960 1.00 1.35 N flip ATOM 1086 CD2 HIS A 68 -1.494 -1.741 9.064 1.00 1.48 C flip ATOM 1087 CE1 HIS A 68 -0.276 -3.649 9.250 1.00 1.41 C flip ATOM 1088 NE2 HIS A 68 -0.734 -2.560 9.839 1.00 1.51 N flip ATOM 0 H HIS A 68 -0.109 -1.001 5.188 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.952 -3.246 5.092 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.344 -0.757 6.760 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.314 -2.217 6.760 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.532 -4.125 7.193 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -1.977 -0.817 9.345 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.308 -4.456 9.668 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.730 -2.037 3.874 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.582 -1.547 2.835 1.00 0.38 C ATOM 1098 C LEU A 69 -5.951 -1.365 3.396 1.00 0.41 C ATOM 1099 O LEU A 69 -6.443 -2.299 4.028 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.760 -2.624 1.753 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.710 -2.324 0.581 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.073 -1.411 -0.481 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.120 -3.632 -0.114 1.00 1.14 C ATOM 0 H LEU A 69 -4.101 -2.861 4.347 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.146 -0.630 2.438 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.777 -2.844 1.337 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.110 -3.533 2.242 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.572 -1.814 1.010 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.788 -1.233 -1.284 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.796 -0.461 -0.025 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.183 -1.892 -0.888 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.793 -3.409 -0.942 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.231 -4.136 -0.494 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.627 -4.280 0.601 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.570 -0.229 3.029 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.897 0.025 3.498 1.00 0.56 C ATOM 1117 C VAL A 70 -8.621 0.507 2.288 1.00 0.55 C ATOM 1118 O VAL A 70 -8.053 0.972 1.301 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.100 0.967 4.648 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.731 0.225 5.943 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.218 2.221 4.525 1.00 0.97 C ATOM 0 H VAL A 70 -6.170 0.492 2.428 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.263 -0.899 3.944 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.141 1.291 4.653 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.870 0.890 6.796 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.372 -0.650 6.056 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.689 -0.092 5.897 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.396 2.876 5.378 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.169 1.927 4.506 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.463 2.750 3.604 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.958 0.363 2.304 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.774 0.796 1.213 1.00 0.84 C ATOM 1133 C LEU A 71 -11.450 2.101 1.452 1.00 0.85 C ATOM 1134 O LEU A 71 -12.379 2.237 2.246 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.822 -0.253 0.803 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.387 -1.696 0.498 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.619 -2.586 0.264 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.605 -1.761 -0.824 1.00 2.78 C ATOM 0 H LEU A 71 -10.476 -0.055 3.077 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.069 0.931 0.392 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.563 -0.300 1.601 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.331 0.126 -0.083 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.787 -2.027 1.346 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.296 -3.605 0.049 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.244 -2.584 1.157 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.191 -2.201 -0.580 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.307 -2.791 -1.020 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.236 -1.405 -1.638 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.717 -1.134 -0.752 1.00 2.78 H new ATOM 1150 N ARG A 72 -10.989 3.145 0.739 1.00 0.92 N ATOM 1151 CA ARG A 72 -11.449 4.498 0.790 1.00 1.10 C ATOM 1152 C ARG A 72 -12.646 4.583 -0.093 1.00 1.35 C ATOM 1153 O ARG A 72 -12.578 4.951 -1.265 1.00 1.56 O ATOM 1154 CB ARG A 72 -10.258 5.404 0.439 1.00 1.34 C ATOM 1155 CG ARG A 72 -10.468 6.840 0.926 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.589 7.575 0.188 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.762 8.950 0.735 1.00 2.54 N ATOM 1158 CZ ARG A 72 -11.180 10.106 0.304 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -10.451 10.128 -0.850 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -11.338 11.288 0.970 1.00 3.75 N ATOM 0 H ARG A 72 -10.228 3.030 0.069 1.00 0.92 H new ATOM 0 HA ARG A 72 -11.784 4.840 1.769 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -9.350 4.999 0.886 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -10.109 5.405 -0.641 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.694 6.825 1.992 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -9.538 7.396 0.805 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -11.358 7.627 -0.876 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -12.521 7.019 0.285 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.394 9.038 1.531 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -10.338 9.275 -1.398 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -10.020 10.997 -1.164 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -11.905 11.324 1.817 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -10.889 12.134 0.620 1.00 3.75 H new ATOM 1174 N LEU A 73 -13.840 4.307 0.461 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.101 4.412 -0.206 1.00 1.93 C ATOM 1176 C LEU A 73 -15.759 5.642 0.319 1.00 2.13 C ATOM 1177 O LEU A 73 -15.666 6.676 -0.340 1.00 2.57 O ATOM 1178 CB LEU A 73 -15.895 3.099 -0.109 1.00 2.23 C ATOM 1179 CG LEU A 73 -15.020 1.879 -0.442 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -15.984 0.689 -0.294 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -14.361 1.856 -1.831 1.00 3.14 C ATOM 0 H LEU A 73 -13.930 3.993 1.427 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.008 4.537 -1.285 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.300 2.992 0.897 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -16.744 3.136 -0.792 1.00 2.23 H new ATOM 0 HG LEU A 73 -14.156 1.873 0.223 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -15.454 -0.238 -0.512 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -16.368 0.656 0.726 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -16.814 0.805 -0.991 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -13.773 0.945 -1.940 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -15.133 1.883 -2.600 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -13.710 2.723 -1.939 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.443 5.552 1.473 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.074 6.634 2.160 1.00 2.55 C ATOM 1195 C ARG A 74 -16.997 6.452 3.637 1.00 2.58 C ATOM 1196 O ARG A 74 -16.454 7.294 4.351 1.00 3.08 O ATOM 1197 CB ARG A 74 -18.516 6.911 1.701 1.00 3.29 C ATOM 1198 CG ARG A 74 -18.869 8.329 2.154 1.00 4.01 C ATOM 1199 CD ARG A 74 -20.198 8.937 1.700 1.00 4.67 C ATOM 1200 NE ARG A 74 -20.240 8.975 0.211 1.00 5.36 N ATOM 1201 CZ ARG A 74 -19.809 9.990 -0.594 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -19.390 11.190 -0.095 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -19.819 9.675 -1.922 1.00 6.80 N ATOM 0 H ARG A 74 -16.562 4.662 1.958 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.508 7.526 1.890 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -18.599 6.821 0.618 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -19.204 6.186 2.135 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.856 8.341 3.244 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -18.071 8.991 1.818 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -21.031 8.347 2.084 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -20.307 9.943 2.104 1.00 4.67 H new ATOM 0 HE ARG A 74 -20.632 8.157 -0.256 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -19.392 11.352 0.912 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -19.075 11.924 -0.729 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -20.130 8.752 -2.225 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -19.516 10.363 -2.612 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.583 5.369 4.179 1.00 2.73 N ATOM 1218 CA GLY A 75 -17.795 5.233 5.586 1.00 3.22 C ATOM 1219 C GLY A 75 -16.690 4.406 6.147 1.00 3.16 C ATOM 1220 O GLY A 75 -16.856 3.193 6.267 1.00 3.57 O ATOM 0 H GLY A 75 -17.915 4.575 3.631 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -17.816 6.213 6.063 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -18.759 4.762 5.781 1.00 3.22 H new ATOM 1224 N GLY A 76 -15.562 4.978 6.606 1.00 3.14 N ATOM 1225 CA GLY A 76 -14.421 4.275 7.106 1.00 3.37 C ATOM 1226 C GLY A 76 -14.574 4.153 8.615 1.00 3.48 C ATOM 1227 O GLY A 76 -15.673 3.928 9.189 1.00 3.87 O ATOM 1228 OXT GLY A 76 -13.559 4.414 9.316 1.00 3.70 O ATOM 0 H GLY A 76 -15.440 5.990 6.629 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -14.350 3.288 6.648 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -13.504 4.809 6.857 1.00 3.37 H new TER 1232 GLY A 76