USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 484 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 Single : A 1 LEU N :NH3+ -119:sc= 0.0312 (180deg=-0.292) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= -0.0338 (180deg=-0.267) USER MOD Single : A 4 ASN : amide:sc= -0.351 K(o=-0.35,f=-0.98) USER MOD Single : A 6 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 78:sc= 0.211 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0599 X(o=-0.06,f=-0.34) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.15 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.2!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0985 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-1.59) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.305 -2.480 1.049 1.00 44.45 N ATOM 2 CA LEU A 1 10.387 -1.387 0.086 1.00 54.33 C ATOM 3 C LEU A 1 9.525 -0.208 0.526 1.00 12.23 C ATOM 4 O LEU A 1 8.582 -0.369 1.302 1.00 60.14 O ATOM 5 CB LEU A 1 9.946 -1.866 -1.298 1.00 73.33 C ATOM 6 CG LEU A 1 10.831 -2.926 -1.955 1.00 44.42 C ATOM 7 CD1 LEU A 1 10.070 -3.652 -3.053 1.00 33.33 C ATOM 8 CD2 LEU A 1 12.097 -2.291 -2.512 1.00 65.33 C ATOM 0 H1 LEU A 1 11.250 -2.670 1.440 1.00 44.45 H new ATOM 0 H2 LEU A 1 9.658 -2.216 1.819 1.00 44.45 H new ATOM 0 H3 LEU A 1 9.949 -3.334 0.575 1.00 44.45 H new ATOM 0 HA LEU A 1 11.425 -1.057 0.036 1.00 54.33 H new ATOM 0 HB2 LEU A 1 8.935 -2.265 -1.217 1.00 73.33 H new ATOM 0 HB3 LEU A 1 9.896 -1.002 -1.961 1.00 73.33 H new ATOM 0 HG LEU A 1 11.116 -3.655 -1.196 1.00 44.42 H new ATOM 0 HD11 LEU A 1 10.716 -4.402 -3.509 1.00 33.33 H new ATOM 0 HD12 LEU A 1 9.193 -4.139 -2.627 1.00 33.33 H new ATOM 0 HD13 LEU A 1 9.755 -2.936 -3.812 1.00 33.33 H new ATOM 0 HD21 LEU A 1 12.716 -3.059 -2.976 1.00 65.33 H new ATOM 0 HD22 LEU A 1 11.831 -1.541 -3.257 1.00 65.33 H new ATOM 0 HD23 LEU A 1 12.653 -1.817 -1.703 1.00 65.33 H new ATOM 20 N LYS A 2 9.853 0.978 0.025 1.00 1.23 N ATOM 21 CA LYS A 2 9.108 2.185 0.363 1.00 0.14 C ATOM 22 C LYS A 2 9.207 3.217 -0.755 1.00 45.32 C ATOM 23 O LYS A 2 8.213 3.539 -1.404 1.00 50.42 O ATOM 24 CB LYS A 2 9.632 2.783 1.671 1.00 35.23 C ATOM 25 CG LYS A 2 8.597 2.815 2.783 1.00 73.43 C ATOM 26 CD LYS A 2 9.251 2.902 4.151 1.00 12.34 C ATOM 27 CE LYS A 2 9.176 1.575 4.891 1.00 11.40 C ATOM 28 NZ LYS A 2 7.776 1.223 5.258 1.00 3.31 N ATOM 0 H LYS A 2 10.631 1.129 -0.617 1.00 1.23 H new ATOM 0 HA LYS A 2 8.060 1.911 0.489 1.00 0.14 H new ATOM 0 HB2 LYS A 2 10.494 2.206 2.005 1.00 35.23 H new ATOM 0 HB3 LYS A 2 9.982 3.798 1.482 1.00 35.23 H new ATOM 0 HG2 LYS A 2 7.935 3.669 2.640 1.00 73.43 H new ATOM 0 HG3 LYS A 2 7.978 1.919 2.731 1.00 73.43 H new ATOM 0 HD2 LYS A 2 10.294 3.198 4.039 1.00 12.34 H new ATOM 0 HD3 LYS A 2 8.761 3.677 4.741 1.00 12.34 H new ATOM 0 HE2 LYS A 2 9.597 0.787 4.267 1.00 11.40 H new ATOM 0 HE3 LYS A 2 9.786 1.627 5.793 1.00 11.40 H new ATOM 0 HZ1 LYS A 2 7.783 0.562 6.061 1.00 3.31 H new ATOM 0 HZ2 LYS A 2 7.260 2.086 5.524 1.00 3.31 H new ATOM 0 HZ3 LYS A 2 7.306 0.775 4.445 1.00 3.31 H new ATOM 42 N GLU A 3 10.414 3.730 -0.975 1.00 51.53 N ATOM 43 CA GLU A 3 10.642 4.726 -2.017 1.00 34.44 C ATOM 44 C GLU A 3 10.373 4.138 -3.399 1.00 30.10 C ATOM 45 O GLU A 3 10.979 3.141 -3.789 1.00 72.05 O ATOM 46 CB GLU A 3 12.076 5.253 -1.944 1.00 63.44 C ATOM 47 CG GLU A 3 12.233 6.666 -2.480 1.00 63.10 C ATOM 48 CD GLU A 3 13.359 7.424 -1.804 1.00 50.30 C ATOM 49 OE1 GLU A 3 13.063 8.287 -0.951 1.00 5.31 O ATOM 50 OE2 GLU A 3 14.535 7.155 -2.128 1.00 15.51 O ATOM 0 H GLU A 3 11.248 3.473 -0.447 1.00 51.53 H new ATOM 0 HA GLU A 3 9.951 5.552 -1.852 1.00 34.44 H new ATOM 0 HB2 GLU A 3 12.411 5.227 -0.907 1.00 63.44 H new ATOM 0 HB3 GLU A 3 12.729 4.585 -2.507 1.00 63.44 H new ATOM 0 HG2 GLU A 3 12.420 6.625 -3.553 1.00 63.10 H new ATOM 0 HG3 GLU A 3 11.299 7.210 -2.340 1.00 63.10 H new ATOM 57 N ASN A 4 9.459 4.764 -4.134 1.00 64.42 N ATOM 58 CA ASN A 4 9.109 4.303 -5.473 1.00 31.53 C ATOM 59 C ASN A 4 8.584 5.454 -6.325 1.00 11.25 C ATOM 60 O ASN A 4 9.127 5.750 -7.389 1.00 73.02 O ATOM 61 CB ASN A 4 8.059 3.192 -5.394 1.00 3.14 C ATOM 62 CG ASN A 4 8.675 1.808 -5.468 1.00 40.22 C ATOM 63 OD1 ASN A 4 9.242 1.316 -4.493 1.00 23.40 O ATOM 64 ND2 ASN A 4 8.566 1.174 -6.630 1.00 13.11 N ATOM 0 H ASN A 4 8.948 5.591 -3.825 1.00 64.42 H new ATOM 0 HA ASN A 4 10.011 3.909 -5.942 1.00 31.53 H new ATOM 0 HB2 ASN A 4 7.501 3.289 -4.463 1.00 3.14 H new ATOM 0 HB3 ASN A 4 7.344 3.313 -6.208 1.00 3.14 H new ATOM 0 HD21 ASN A 4 8.961 0.240 -6.741 1.00 13.11 H new ATOM 0 HD22 ASN A 4 8.087 1.621 -7.412 1.00 13.11 H new ATOM 71 N ASP A 5 7.526 6.100 -5.848 1.00 54.41 N ATOM 72 CA ASP A 5 6.928 7.221 -6.565 1.00 14.15 C ATOM 73 C ASP A 5 5.882 7.921 -5.703 1.00 13.25 C ATOM 74 O ASP A 5 6.105 9.030 -5.215 1.00 72.20 O ATOM 75 CB ASP A 5 6.292 6.739 -7.869 1.00 75.12 C ATOM 76 CG ASP A 5 7.020 7.256 -9.094 1.00 53.31 C ATOM 77 OD1 ASP A 5 7.358 6.437 -9.974 1.00 20.31 O ATOM 78 OD2 ASP A 5 7.251 8.481 -9.173 1.00 75.25 O ATOM 0 H ASP A 5 7.065 5.867 -4.969 1.00 54.41 H new ATOM 0 HA ASP A 5 7.718 7.935 -6.798 1.00 14.15 H new ATOM 0 HB2 ASP A 5 6.287 5.649 -7.886 1.00 75.12 H new ATOM 0 HB3 ASP A 5 5.252 7.063 -7.904 1.00 75.12 H new ATOM 83 N HIS A 6 4.739 7.267 -5.519 1.00 50.24 N ATOM 84 CA HIS A 6 3.658 7.827 -4.716 1.00 53.24 C ATOM 85 C HIS A 6 4.046 7.877 -3.242 1.00 10.42 C ATOM 86 O HIS A 6 3.696 8.818 -2.530 1.00 34.25 O ATOM 87 CB HIS A 6 2.383 7.002 -4.892 1.00 70.44 C ATOM 88 CG HIS A 6 1.135 7.738 -4.513 1.00 42.02 C ATOM 89 ND1 HIS A 6 -0.061 7.105 -4.248 1.00 50.42 N ATOM 90 CD2 HIS A 6 0.902 9.062 -4.353 1.00 65.22 C ATOM 91 CE1 HIS A 6 -0.976 8.008 -3.943 1.00 40.25 C ATOM 92 NE2 HIS A 6 -0.417 9.204 -3.999 1.00 62.55 N ATOM 0 H HIS A 6 4.538 6.349 -5.915 1.00 50.24 H new ATOM 0 HA HIS A 6 3.473 8.845 -5.060 1.00 53.24 H new ATOM 0 HB2 HIS A 6 2.306 6.685 -5.932 1.00 70.44 H new ATOM 0 HB3 HIS A 6 2.459 6.098 -4.288 1.00 70.44 H new ATOM 0 HD2 HIS A 6 1.620 9.859 -4.480 1.00 65.22 H new ATOM 0 HE1 HIS A 6 -2.006 7.803 -3.691 1.00 40.25 H new ATOM 0 HE2 HIS A 6 -0.888 10.089 -3.810 1.00 62.55 H new ATOM 100 N ALA A 7 4.771 6.859 -2.791 1.00 33.23 N ATOM 101 CA ALA A 7 5.207 6.788 -1.402 1.00 22.22 C ATOM 102 C ALA A 7 5.974 8.044 -1.002 1.00 70.04 C ATOM 103 O ALA A 7 5.898 8.491 0.142 1.00 3.12 O ATOM 104 CB ALA A 7 6.065 5.551 -1.181 1.00 21.22 C ATOM 0 H ALA A 7 5.069 6.072 -3.367 1.00 33.23 H new ATOM 0 HA ALA A 7 4.320 6.719 -0.772 1.00 22.22 H new ATOM 0 HB1 ALA A 7 6.384 5.511 -0.139 1.00 21.22 H new ATOM 0 HB2 ALA A 7 5.485 4.659 -1.418 1.00 21.22 H new ATOM 0 HB3 ALA A 7 6.942 5.596 -1.827 1.00 21.22 H new ATOM 110 N ARG A 8 6.712 8.608 -1.953 1.00 2.24 N ATOM 111 CA ARG A 8 7.494 9.812 -1.699 1.00 4.04 C ATOM 112 C ARG A 8 6.617 11.058 -1.781 1.00 22.22 C ATOM 113 O ARG A 8 6.682 11.934 -0.918 1.00 22.30 O ATOM 114 CB ARG A 8 8.646 9.919 -2.701 1.00 35.25 C ATOM 115 CG ARG A 8 9.447 11.204 -2.572 1.00 63.34 C ATOM 116 CD ARG A 8 10.921 10.919 -2.329 1.00 20.21 C ATOM 117 NE ARG A 8 11.747 12.109 -2.515 1.00 54.02 N ATOM 118 CZ ARG A 8 12.101 12.578 -3.706 1.00 42.42 C ATOM 119 NH1 ARG A 8 11.704 11.962 -4.811 1.00 31.34 N ATOM 120 NH2 ARG A 8 12.854 13.667 -3.794 1.00 43.41 N ATOM 0 H ARG A 8 6.785 8.251 -2.906 1.00 2.24 H new ATOM 0 HA ARG A 8 7.903 9.743 -0.691 1.00 4.04 H new ATOM 0 HB2 ARG A 8 9.315 9.069 -2.565 1.00 35.25 H new ATOM 0 HB3 ARG A 8 8.245 9.851 -3.712 1.00 35.25 H new ATOM 0 HG2 ARG A 8 9.335 11.797 -3.480 1.00 63.34 H new ATOM 0 HG3 ARG A 8 9.050 11.801 -1.751 1.00 63.34 H new ATOM 0 HD2 ARG A 8 11.055 10.540 -1.316 1.00 20.21 H new ATOM 0 HD3 ARG A 8 11.256 10.136 -3.009 1.00 20.21 H new ATOM 0 HE ARG A 8 12.069 12.607 -1.685 1.00 54.02 H new ATOM 0 HH11 ARG A 8 11.125 11.125 -4.748 1.00 31.34 H new ATOM 0 HH12 ARG A 8 11.978 12.325 -5.724 1.00 31.34 H new ATOM 0 HH21 ARG A 8 13.161 14.144 -2.947 1.00 43.41 H new ATOM 0 HH22 ARG A 8 13.126 14.027 -4.709 1.00 43.41 H new ATOM 134 N PHE A 9 5.798 11.130 -2.824 1.00 54.33 N ATOM 135 CA PHE A 9 4.908 12.269 -3.020 1.00 43.24 C ATOM 136 C PHE A 9 3.961 12.430 -1.835 1.00 60.00 C ATOM 137 O PHE A 9 3.784 13.531 -1.312 1.00 10.02 O ATOM 138 CB PHE A 9 4.104 12.099 -4.311 1.00 2.20 C ATOM 139 CG PHE A 9 4.733 12.765 -5.501 1.00 50.43 C ATOM 140 CD1 PHE A 9 5.055 14.112 -5.468 1.00 3.50 C ATOM 141 CD2 PHE A 9 5.001 12.044 -6.654 1.00 3.53 C ATOM 142 CE1 PHE A 9 5.634 14.729 -6.561 1.00 64.44 C ATOM 143 CE2 PHE A 9 5.581 12.655 -7.750 1.00 74.00 C ATOM 144 CZ PHE A 9 5.896 13.999 -7.704 1.00 64.13 C ATOM 0 H PHE A 9 5.732 10.414 -3.547 1.00 54.33 H new ATOM 0 HA PHE A 9 5.520 13.167 -3.097 1.00 43.24 H new ATOM 0 HB2 PHE A 9 3.987 11.036 -4.519 1.00 2.20 H new ATOM 0 HB3 PHE A 9 3.104 12.507 -4.163 1.00 2.20 H new ATOM 0 HD1 PHE A 9 4.851 14.687 -4.577 1.00 3.50 H new ATOM 0 HD2 PHE A 9 4.754 10.993 -6.697 1.00 3.53 H new ATOM 0 HE1 PHE A 9 5.881 15.780 -6.521 1.00 64.44 H new ATOM 0 HE2 PHE A 9 5.788 12.082 -8.642 1.00 74.00 H new ATOM 0 HZ PHE A 9 6.347 14.478 -8.560 1.00 64.13 H new ATOM 154 N LEU A 10 3.354 11.325 -1.417 1.00 30.03 N ATOM 155 CA LEU A 10 2.424 11.342 -0.293 1.00 74.32 C ATOM 156 C LEU A 10 3.153 11.636 1.014 1.00 62.33 C ATOM 157 O LEU A 10 2.686 12.428 1.831 1.00 40.41 O ATOM 158 CB LEU A 10 1.692 10.002 -0.192 1.00 14.33 C ATOM 159 CG LEU A 10 0.178 10.078 0.011 1.00 51.33 C ATOM 160 CD1 LEU A 10 -0.499 8.837 -0.550 1.00 44.22 C ATOM 161 CD2 LEU A 10 -0.155 10.249 1.486 1.00 71.03 C ATOM 0 H LEU A 10 3.489 10.406 -1.839 1.00 30.03 H new ATOM 0 HA LEU A 10 1.697 12.135 -0.467 1.00 74.32 H new ATOM 0 HB2 LEU A 10 1.888 9.434 -1.101 1.00 14.33 H new ATOM 0 HB3 LEU A 10 2.122 9.438 0.636 1.00 14.33 H new ATOM 0 HG LEU A 10 -0.198 10.947 -0.529 1.00 51.33 H new ATOM 0 HD11 LEU A 10 -1.576 8.909 -0.396 1.00 44.22 H new ATOM 0 HD12 LEU A 10 -0.289 8.759 -1.617 1.00 44.22 H new ATOM 0 HD13 LEU A 10 -0.118 7.952 -0.039 1.00 44.22 H new ATOM 0 HD21 LEU A 10 -1.237 10.301 1.611 1.00 71.03 H new ATOM 0 HD22 LEU A 10 0.235 9.400 2.048 1.00 71.03 H new ATOM 0 HD23 LEU A 10 0.298 11.168 1.857 1.00 71.03 H new ATOM 173 N GLN A 11 4.301 10.993 1.202 1.00 43.10 N ATOM 174 CA GLN A 11 5.096 11.187 2.409 1.00 11.50 C ATOM 175 C GLN A 11 5.418 12.664 2.617 1.00 70.41 C ATOM 176 O GLN A 11 5.239 13.202 3.710 1.00 21.21 O ATOM 177 CB GLN A 11 6.391 10.377 2.329 1.00 53.14 C ATOM 178 CG GLN A 11 7.347 10.643 3.480 1.00 62.21 C ATOM 179 CD GLN A 11 7.749 9.376 4.209 1.00 30.11 C ATOM 180 OE1 GLN A 11 8.915 8.980 4.194 1.00 10.40 O ATOM 181 NE2 GLN A 11 6.783 8.731 4.853 1.00 11.51 N ATOM 0 H GLN A 11 4.701 10.334 0.534 1.00 43.10 H new ATOM 0 HA GLN A 11 4.510 10.838 3.259 1.00 11.50 H new ATOM 0 HB2 GLN A 11 6.145 9.315 2.310 1.00 53.14 H new ATOM 0 HB3 GLN A 11 6.895 10.604 1.389 1.00 53.14 H new ATOM 0 HG2 GLN A 11 8.240 11.137 3.098 1.00 62.21 H new ATOM 0 HG3 GLN A 11 6.879 11.330 4.185 1.00 62.21 H new ATOM 0 HE21 GLN A 11 5.830 9.094 4.839 1.00 11.51 H new ATOM 0 HE22 GLN A 11 6.994 7.872 5.361 1.00 11.51 H new ATOM 190 N THR A 12 5.895 13.315 1.560 1.00 31.24 N ATOM 191 CA THR A 12 6.244 14.728 1.627 1.00 14.32 C ATOM 192 C THR A 12 5.045 15.571 2.049 1.00 25.24 C ATOM 193 O THR A 12 5.140 16.386 2.967 1.00 61.24 O ATOM 194 CB THR A 12 6.767 15.242 0.273 1.00 54.53 C ATOM 195 OG1 THR A 12 7.998 14.589 -0.057 1.00 54.41 O ATOM 196 CG2 THR A 12 6.980 16.748 0.311 1.00 1.23 C ATOM 0 H THR A 12 6.048 12.885 0.648 1.00 31.24 H new ATOM 0 HA THR A 12 7.033 14.824 2.373 1.00 14.32 H new ATOM 0 HB THR A 12 6.021 15.016 -0.489 1.00 54.53 H new ATOM 0 HG1 THR A 12 7.811 13.685 -0.385 1.00 54.41 H new ATOM 0 HG21 THR A 12 7.350 17.088 -0.657 1.00 1.23 H new ATOM 0 HG22 THR A 12 6.035 17.244 0.533 1.00 1.23 H new ATOM 0 HG23 THR A 12 7.708 16.993 1.084 1.00 1.23 H new ATOM 204 N ALA A 13 3.918 15.368 1.375 1.00 44.42 N ATOM 205 CA ALA A 13 2.701 16.108 1.682 1.00 13.04 C ATOM 206 C ALA A 13 2.379 16.041 3.171 1.00 33.54 C ATOM 207 O ALA A 13 2.047 17.051 3.792 1.00 32.31 O ATOM 208 CB ALA A 13 1.536 15.571 0.864 1.00 70.12 C ATOM 0 H ALA A 13 3.823 14.697 0.613 1.00 44.42 H new ATOM 0 HA ALA A 13 2.865 17.153 1.419 1.00 13.04 H new ATOM 0 HB1 ALA A 13 0.633 16.133 1.104 1.00 70.12 H new ATOM 0 HB2 ALA A 13 1.758 15.676 -0.198 1.00 70.12 H new ATOM 0 HB3 ALA A 13 1.381 14.518 1.099 1.00 70.12 H new ATOM 214 N LYS A 14 2.478 14.844 3.740 1.00 61.32 N ATOM 215 CA LYS A 14 2.198 14.643 5.157 1.00 43.33 C ATOM 216 C LYS A 14 3.286 15.273 6.021 1.00 64.15 C ATOM 217 O LYS A 14 2.995 15.964 6.996 1.00 62.03 O ATOM 218 CB LYS A 14 2.085 13.149 5.469 1.00 51.50 C ATOM 219 CG LYS A 14 1.011 12.822 6.491 1.00 34.34 C ATOM 220 CD LYS A 14 0.347 11.488 6.194 1.00 34.45 C ATOM 221 CE LYS A 14 0.423 10.549 7.389 1.00 15.10 C ATOM 222 NZ LYS A 14 -0.084 9.188 7.058 1.00 14.45 N ATOM 0 H LYS A 14 2.750 13.997 3.241 1.00 61.32 H new ATOM 0 HA LYS A 14 1.249 15.128 5.387 1.00 43.33 H new ATOM 0 HB2 LYS A 14 1.874 12.608 4.546 1.00 51.50 H new ATOM 0 HB3 LYS A 14 3.046 12.789 5.836 1.00 51.50 H new ATOM 0 HG2 LYS A 14 1.452 12.796 7.488 1.00 34.34 H new ATOM 0 HG3 LYS A 14 0.259 13.611 6.495 1.00 34.34 H new ATOM 0 HD2 LYS A 14 -0.696 11.652 5.924 1.00 34.45 H new ATOM 0 HD3 LYS A 14 0.829 11.024 5.334 1.00 34.45 H new ATOM 0 HE2 LYS A 14 1.456 10.479 7.731 1.00 15.10 H new ATOM 0 HE3 LYS A 14 -0.158 10.962 8.213 1.00 15.10 H new ATOM 0 HZ1 LYS A 14 -0.016 8.578 7.898 1.00 14.45 H new ATOM 0 HZ2 LYS A 14 -1.077 9.251 6.756 1.00 14.45 H new ATOM 0 HZ3 LYS A 14 0.486 8.783 6.289 1.00 14.45 H new ATOM 236 N ASN A 15 4.541 15.030 5.654 1.00 12.15 N ATOM 237 CA ASN A 15 5.672 15.574 6.396 1.00 4.50 C ATOM 238 C ASN A 15 5.579 17.094 6.493 1.00 41.24 C ATOM 239 O ASN A 15 6.129 17.703 7.411 1.00 64.22 O ATOM 240 CB ASN A 15 6.988 15.175 5.725 1.00 22.33 C ATOM 241 CG ASN A 15 8.066 14.820 6.732 1.00 52.22 C ATOM 242 OD1 ASN A 15 7.820 14.085 7.688 1.00 11.01 O ATOM 243 ND2 ASN A 15 9.268 15.343 6.520 1.00 11.21 N ATOM 0 H ASN A 15 4.799 14.461 4.848 1.00 12.15 H new ATOM 0 HA ASN A 15 5.645 15.161 7.404 1.00 4.50 H new ATOM 0 HB2 ASN A 15 6.814 14.323 5.068 1.00 22.33 H new ATOM 0 HB3 ASN A 15 7.336 15.996 5.098 1.00 22.33 H new ATOM 0 HD21 ASN A 15 10.033 15.140 7.163 1.00 11.21 H new ATOM 0 HD22 ASN A 15 9.426 15.947 5.714 1.00 11.21 H new ATOM 250 N ILE A 16 4.879 17.700 5.540 1.00 53.11 N ATOM 251 CA ILE A 16 4.712 19.148 5.519 1.00 52.03 C ATOM 252 C ILE A 16 3.748 19.606 6.608 1.00 53.34 C ATOM 253 O ILE A 16 4.070 20.484 7.409 1.00 33.03 O ATOM 254 CB ILE A 16 4.194 19.635 4.152 1.00 4.24 C ATOM 255 CG1 ILE A 16 5.226 19.348 3.060 1.00 63.12 C ATOM 256 CG2 ILE A 16 3.873 21.121 4.207 1.00 15.10 C ATOM 257 CD1 ILE A 16 4.610 19.012 1.720 1.00 40.32 C ATOM 0 H ILE A 16 4.418 17.211 4.772 1.00 53.11 H new ATOM 0 HA ILE A 16 5.695 19.582 5.702 1.00 52.03 H new ATOM 0 HB ILE A 16 3.279 19.094 3.912 1.00 4.24 H new ATOM 0 HG12 ILE A 16 5.873 20.218 2.945 1.00 63.12 H new ATOM 0 HG13 ILE A 16 5.859 18.519 3.378 1.00 63.12 H new ATOM 0 HG21 ILE A 16 3.508 21.451 3.234 1.00 15.10 H new ATOM 0 HG22 ILE A 16 3.107 21.300 4.962 1.00 15.10 H new ATOM 0 HG23 ILE A 16 4.773 21.678 4.465 1.00 15.10 H new ATOM 0 HD11 ILE A 16 5.400 18.820 0.994 1.00 40.32 H new ATOM 0 HD12 ILE A 16 3.985 18.124 1.819 1.00 40.32 H new ATOM 0 HD13 ILE A 16 4.000 19.849 1.380 1.00 40.32 H new ATOM 269 N THR A 17 2.562 19.005 6.632 1.00 22.24 N ATOM 270 CA THR A 17 1.551 19.350 7.623 1.00 14.01 C ATOM 271 C THR A 17 1.879 18.738 8.980 1.00 12.32 C ATOM 272 O THR A 17 1.333 19.149 10.004 1.00 61.41 O ATOM 273 CB THR A 17 0.151 18.878 7.185 1.00 42.31 C ATOM 274 OG1 THR A 17 0.130 18.655 5.771 1.00 62.43 O ATOM 275 CG2 THR A 17 -0.907 19.906 7.557 1.00 72.32 C ATOM 0 H THR A 17 2.279 18.277 5.976 1.00 22.24 H new ATOM 0 HA THR A 17 1.550 20.437 7.708 1.00 14.01 H new ATOM 0 HB THR A 17 -0.073 17.945 7.703 1.00 42.31 H new ATOM 0 HG1 THR A 17 -0.762 18.354 5.501 1.00 62.43 H new ATOM 0 HG21 THR A 17 -1.887 19.551 7.238 1.00 72.32 H new ATOM 0 HG22 THR A 17 -0.908 20.053 8.637 1.00 72.32 H new ATOM 0 HG23 THR A 17 -0.685 20.852 7.063 1.00 72.32 H new ATOM 283 N GLU A 18 2.774 17.755 8.980 1.00 0.53 N ATOM 284 CA GLU A 18 3.174 17.088 10.213 1.00 21.34 C ATOM 285 C GLU A 18 4.292 17.857 10.911 1.00 51.40 C ATOM 286 O GLU A 18 4.319 17.957 12.138 1.00 43.23 O ATOM 287 CB GLU A 18 3.631 15.657 9.920 1.00 42.33 C ATOM 288 CG GLU A 18 4.005 14.870 11.164 1.00 13.04 C ATOM 289 CD GLU A 18 2.916 14.896 12.219 1.00 32.44 C ATOM 290 OE1 GLU A 18 3.181 15.396 13.333 1.00 60.33 O ATOM 291 OE2 GLU A 18 1.799 14.416 11.932 1.00 24.44 O ATOM 0 H GLU A 18 3.235 17.403 8.141 1.00 0.53 H new ATOM 0 HA GLU A 18 2.309 17.058 10.876 1.00 21.34 H new ATOM 0 HB2 GLU A 18 2.835 15.131 9.394 1.00 42.33 H new ATOM 0 HB3 GLU A 18 4.489 15.689 9.249 1.00 42.33 H new ATOM 0 HG2 GLU A 18 4.213 13.837 10.887 1.00 13.04 H new ATOM 0 HG3 GLU A 18 4.924 15.278 11.585 1.00 13.04 H new ATOM 298 N ARG A 19 5.212 18.399 10.120 1.00 43.10 N ATOM 299 CA ARG A 19 6.333 19.158 10.661 1.00 44.23 C ATOM 300 C ARG A 19 5.863 20.497 11.221 1.00 44.40 C ATOM 301 O ARG A 19 6.405 20.994 12.209 1.00 64.33 O ATOM 302 CB ARG A 19 7.390 19.388 9.579 1.00 41.53 C ATOM 303 CG ARG A 19 8.470 20.378 9.983 1.00 2.51 C ATOM 304 CD ARG A 19 9.469 20.603 8.859 1.00 50.43 C ATOM 305 NE ARG A 19 10.810 20.149 9.219 1.00 54.25 N ATOM 306 CZ ARG A 19 11.863 20.260 8.417 1.00 72.13 C ATOM 307 NH1 ARG A 19 11.732 20.807 7.216 1.00 13.12 N ATOM 308 NH2 ARG A 19 13.051 19.823 8.816 1.00 54.15 N ATOM 0 H ARG A 19 5.203 18.327 9.103 1.00 43.10 H new ATOM 0 HA ARG A 19 6.774 18.579 11.473 1.00 44.23 H new ATOM 0 HB2 ARG A 19 7.857 18.435 9.331 1.00 41.53 H new ATOM 0 HB3 ARG A 19 6.899 19.748 8.674 1.00 41.53 H new ATOM 0 HG2 ARG A 19 8.010 21.327 10.258 1.00 2.51 H new ATOM 0 HG3 ARG A 19 8.991 20.009 10.866 1.00 2.51 H new ATOM 0 HD2 ARG A 19 9.135 20.075 7.966 1.00 50.43 H new ATOM 0 HD3 ARG A 19 9.500 21.663 8.609 1.00 50.43 H new ATOM 0 HE ARG A 19 10.945 19.724 10.136 1.00 54.25 H new ATOM 0 HH11 ARG A 19 10.821 21.144 6.906 1.00 13.12 H new ATOM 0 HH12 ARG A 19 12.543 20.891 6.603 1.00 13.12 H new ATOM 0 HH21 ARG A 19 13.156 19.402 9.739 1.00 54.15 H new ATOM 0 HH22 ARG A 19 13.859 19.909 8.200 1.00 54.15 H new ATOM 322 N VAL A 20 4.852 21.078 10.583 1.00 31.20 N ATOM 323 CA VAL A 20 4.308 22.359 11.018 1.00 43.04 C ATOM 324 C VAL A 20 3.562 22.219 12.339 1.00 13.34 C ATOM 325 O VAL A 20 3.722 23.038 13.244 1.00 1.33 O ATOM 326 CB VAL A 20 3.355 22.951 9.962 1.00 4.34 C ATOM 327 CG1 VAL A 20 2.221 21.983 9.664 1.00 60.14 C ATOM 328 CG2 VAL A 20 2.813 24.294 10.429 1.00 35.40 C ATOM 0 H VAL A 20 4.393 20.682 9.763 1.00 31.20 H new ATOM 0 HA VAL A 20 5.154 23.033 11.152 1.00 43.04 H new ATOM 0 HB VAL A 20 3.915 23.111 9.040 1.00 4.34 H new ATOM 0 HG11 VAL A 20 1.558 22.418 8.916 1.00 60.14 H new ATOM 0 HG12 VAL A 20 2.632 21.047 9.284 1.00 60.14 H new ATOM 0 HG13 VAL A 20 1.659 21.789 10.578 1.00 60.14 H new ATOM 0 HG21 VAL A 20 2.142 24.699 9.672 1.00 35.40 H new ATOM 0 HG22 VAL A 20 2.268 24.161 11.364 1.00 35.40 H new ATOM 0 HG23 VAL A 20 3.641 24.985 10.587 1.00 35.40 H new ATOM 338 N SER A 21 2.745 21.176 12.444 1.00 21.21 N ATOM 339 CA SER A 21 1.970 20.930 13.655 1.00 64.23 C ATOM 340 C SER A 21 2.885 20.807 14.870 1.00 41.05 C ATOM 341 O SER A 21 2.658 21.444 15.898 1.00 71.41 O ATOM 342 CB SER A 21 1.134 19.658 13.501 1.00 63.21 C ATOM 343 OG SER A 21 0.973 19.000 14.746 1.00 64.24 O ATOM 0 H SER A 21 2.602 20.487 11.705 1.00 21.21 H new ATOM 0 HA SER A 21 1.303 21.778 13.809 1.00 64.23 H new ATOM 0 HB2 SER A 21 0.156 19.909 13.090 1.00 63.21 H new ATOM 0 HB3 SER A 21 1.616 18.986 12.791 1.00 63.21 H new ATOM 0 HG SER A 21 0.434 18.191 14.621 1.00 64.24 H new ATOM 349 N MET A 22 3.920 19.983 14.742 1.00 43.41 N ATOM 350 CA MET A 22 4.871 19.777 15.829 1.00 52.35 C ATOM 351 C MET A 22 5.514 21.096 16.245 1.00 24.13 C ATOM 352 O MET A 22 5.680 21.368 17.434 1.00 64.20 O ATOM 353 CB MET A 22 5.951 18.780 15.407 1.00 25.30 C ATOM 354 CG MET A 22 6.823 18.306 16.558 1.00 24.35 C ATOM 355 SD MET A 22 7.888 16.925 16.101 1.00 63.45 S ATOM 356 CE MET A 22 9.101 17.757 15.078 1.00 72.41 C ATOM 0 H MET A 22 4.122 19.448 13.898 1.00 43.41 H new ATOM 0 HA MET A 22 4.328 19.373 16.683 1.00 52.35 H new ATOM 0 HB2 MET A 22 5.475 17.916 14.943 1.00 25.30 H new ATOM 0 HB3 MET A 22 6.584 19.241 14.649 1.00 25.30 H new ATOM 0 HG2 MET A 22 7.439 19.135 16.907 1.00 24.35 H new ATOM 0 HG3 MET A 22 6.187 18.009 17.392 1.00 24.35 H new ATOM 0 HE1 MET A 22 9.871 17.047 14.776 1.00 72.41 H new ATOM 0 HE2 MET A 22 8.613 18.162 14.191 1.00 72.41 H new ATOM 0 HE3 MET A 22 9.558 18.569 15.643 1.00 72.41 H new ATOM 366 N ALA A 23 5.875 21.911 15.259 1.00 31.05 N ATOM 367 CA ALA A 23 6.499 23.201 15.525 1.00 55.53 C ATOM 368 C ALA A 23 5.534 24.140 16.242 1.00 3.02 C ATOM 369 O ALA A 23 5.803 24.590 17.357 1.00 54.03 O ATOM 370 CB ALA A 23 6.983 23.830 14.227 1.00 55.55 C ATOM 0 H ALA A 23 5.746 21.701 14.269 1.00 31.05 H new ATOM 0 HA ALA A 23 7.356 23.035 16.178 1.00 55.53 H new ATOM 0 HB1 ALA A 23 7.447 24.793 14.440 1.00 55.55 H new ATOM 0 HB2 ALA A 23 7.712 23.173 13.754 1.00 55.55 H new ATOM 0 HB3 ALA A 23 6.137 23.976 13.556 1.00 55.55 H new ATOM 376 N THR A 24 4.410 24.433 15.596 1.00 11.11 N ATOM 377 CA THR A 24 3.407 25.320 16.172 1.00 74.34 C ATOM 378 C THR A 24 2.970 24.835 17.550 1.00 43.35 C ATOM 379 O THR A 24 2.582 25.632 18.404 1.00 71.35 O ATOM 380 CB THR A 24 2.168 25.431 15.263 1.00 33.00 C ATOM 381 OG1 THR A 24 2.542 25.226 13.896 1.00 25.43 O ATOM 382 CG2 THR A 24 1.507 26.793 15.414 1.00 73.32 C ATOM 0 H THR A 24 4.171 24.069 14.674 1.00 11.11 H new ATOM 0 HA THR A 24 3.870 26.302 16.266 1.00 74.34 H new ATOM 0 HB THR A 24 1.455 24.663 15.563 1.00 33.00 H new ATOM 0 HG1 THR A 24 2.601 24.265 13.714 1.00 25.43 H new ATOM 0 HG21 THR A 24 0.635 26.848 14.763 1.00 73.32 H new ATOM 0 HG22 THR A 24 1.197 26.934 16.449 1.00 73.32 H new ATOM 0 HG23 THR A 24 2.216 27.574 15.138 1.00 73.32 H new ATOM 390 N ALA A 25 3.038 23.525 17.760 1.00 74.24 N ATOM 391 CA ALA A 25 2.652 22.935 19.035 1.00 31.25 C ATOM 392 C ALA A 25 3.762 23.089 20.070 1.00 40.14 C ATOM 393 O ALA A 25 3.506 23.093 21.274 1.00 72.45 O ATOM 394 CB ALA A 25 2.299 21.466 18.853 1.00 53.24 C ATOM 0 H ALA A 25 3.357 22.852 17.063 1.00 74.24 H new ATOM 0 HA ALA A 25 1.773 23.466 19.400 1.00 31.25 H new ATOM 0 HB1 ALA A 25 2.013 21.039 19.814 1.00 53.24 H new ATOM 0 HB2 ALA A 25 1.468 21.375 18.154 1.00 53.24 H new ATOM 0 HB3 ALA A 25 3.163 20.930 18.461 1.00 53.24 H new ATOM 400 N SER A 26 4.996 23.216 19.592 1.00 70.31 N ATOM 401 CA SER A 26 6.146 23.366 20.476 1.00 61.33 C ATOM 402 C SER A 26 6.565 24.829 20.578 1.00 3.11 C ATOM 403 O SER A 26 7.569 25.156 21.211 1.00 63.20 O ATOM 404 CB SER A 26 7.318 22.522 19.970 1.00 31.13 C ATOM 405 OG SER A 26 7.425 21.311 20.698 1.00 64.31 O ATOM 0 H SER A 26 5.225 23.218 18.598 1.00 70.31 H new ATOM 0 HA SER A 26 5.859 23.018 21.468 1.00 61.33 H new ATOM 0 HB2 SER A 26 7.182 22.303 18.911 1.00 31.13 H new ATOM 0 HB3 SER A 26 8.245 23.088 20.062 1.00 31.13 H new ATOM 0 HG SER A 26 8.180 20.789 20.355 1.00 64.31 H new ATOM 411 N SER A 27 5.788 25.706 19.950 1.00 3.04 N ATOM 412 CA SER A 27 6.080 27.135 19.967 1.00 72.32 C ATOM 413 C SER A 27 5.132 27.872 20.908 1.00 71.21 C ATOM 414 O SER A 27 5.558 28.708 21.704 1.00 32.45 O ATOM 415 CB SER A 27 5.969 27.715 18.556 1.00 44.43 C ATOM 416 OG SER A 27 5.414 29.019 18.583 1.00 64.04 O ATOM 0 H SER A 27 4.952 25.452 19.423 1.00 3.04 H new ATOM 0 HA SER A 27 7.099 27.269 20.329 1.00 72.32 H new ATOM 0 HB2 SER A 27 6.955 27.746 18.093 1.00 44.43 H new ATOM 0 HB3 SER A 27 5.348 27.065 17.940 1.00 44.43 H new ATOM 0 HG SER A 27 5.355 29.368 17.669 1.00 64.04 H new ATOM 422 N GLN A 28 3.845 27.555 20.809 1.00 51.13 N ATOM 423 CA GLN A 28 2.836 28.188 21.650 1.00 30.42 C ATOM 424 C GLN A 28 2.104 27.150 22.495 1.00 13.41 C ATOM 425 O GLN A 28 1.083 27.448 23.116 1.00 42.42 O ATOM 426 CB GLN A 28 1.835 28.960 20.790 1.00 40.45 C ATOM 427 CG GLN A 28 2.434 30.178 20.105 1.00 1.41 C ATOM 428 CD GLN A 28 1.681 31.455 20.423 1.00 43.44 C ATOM 429 OE1 GLN A 28 1.856 32.044 21.490 1.00 64.11 O ATOM 430 NE2 GLN A 28 0.837 31.892 19.495 1.00 63.41 N ATOM 0 H GLN A 28 3.477 26.864 20.155 1.00 51.13 H new ATOM 0 HA GLN A 28 3.342 28.885 22.319 1.00 30.42 H new ATOM 0 HB2 GLN A 28 1.428 28.291 20.032 1.00 40.45 H new ATOM 0 HB3 GLN A 28 1.001 29.279 21.415 1.00 40.45 H new ATOM 0 HG2 GLN A 28 3.474 30.288 20.412 1.00 1.41 H new ATOM 0 HG3 GLN A 28 2.435 30.020 19.027 1.00 1.41 H new ATOM 0 HE21 GLN A 28 0.723 31.373 18.625 1.00 63.41 H new ATOM 0 HE22 GLN A 28 0.303 32.747 19.653 1.00 63.41 H new ATOM 439 N VAL A 29 2.631 25.930 22.514 1.00 3.41 N ATOM 440 CA VAL A 29 2.028 24.849 23.283 1.00 23.45 C ATOM 441 C VAL A 29 0.656 24.480 22.731 1.00 62.11 C ATOM 442 O VAL A 29 -0.117 23.772 23.379 1.00 44.34 O ATOM 443 CB VAL A 29 1.886 25.228 24.769 1.00 2.24 C ATOM 444 CG1 VAL A 29 1.658 23.987 25.618 1.00 21.24 C ATOM 445 CG2 VAL A 29 3.114 25.990 25.244 1.00 2.40 C ATOM 0 H VAL A 29 3.475 25.666 22.005 1.00 3.41 H new ATOM 0 HA VAL A 29 2.694 23.990 23.197 1.00 23.45 H new ATOM 0 HB VAL A 29 1.018 25.878 24.878 1.00 2.24 H new ATOM 0 HG11 VAL A 29 1.560 24.275 26.665 1.00 21.24 H new ATOM 0 HG12 VAL A 29 0.746 23.486 25.293 1.00 21.24 H new ATOM 0 HG13 VAL A 29 2.504 23.309 25.506 1.00 21.24 H new ATOM 0 HG21 VAL A 29 2.997 26.250 26.296 1.00 2.40 H new ATOM 0 HG22 VAL A 29 3.999 25.366 25.121 1.00 2.40 H new ATOM 0 HG23 VAL A 29 3.227 26.901 24.656 1.00 2.40 H new ATOM 455 N LEU A 30 0.359 24.963 21.530 1.00 51.22 N ATOM 456 CA LEU A 30 -0.921 24.684 20.888 1.00 12.22 C ATOM 457 C LEU A 30 -2.080 24.974 21.836 1.00 33.24 C ATOM 458 O LEU A 30 -2.904 24.100 22.110 1.00 1.44 O ATOM 459 CB LEU A 30 -0.976 23.226 20.428 1.00 51.54 C ATOM 460 CG LEU A 30 -1.821 22.947 19.184 1.00 64.10 C ATOM 461 CD1 LEU A 30 -1.176 23.562 17.952 1.00 61.04 C ATOM 462 CD2 LEU A 30 -2.014 21.449 18.996 1.00 45.21 C ATOM 0 H LEU A 30 0.987 25.550 20.981 1.00 51.22 H new ATOM 0 HA LEU A 30 -1.014 25.336 20.020 1.00 12.22 H new ATOM 0 HB2 LEU A 30 0.042 22.888 20.235 1.00 51.54 H new ATOM 0 HB3 LEU A 30 -1.362 22.621 21.248 1.00 51.54 H new ATOM 0 HG LEU A 30 -2.800 23.405 19.323 1.00 64.10 H new ATOM 0 HD11 LEU A 30 -1.791 23.353 17.077 1.00 61.04 H new ATOM 0 HD12 LEU A 30 -1.090 24.640 18.086 1.00 61.04 H new ATOM 0 HD13 LEU A 30 -0.184 23.134 17.809 1.00 61.04 H new ATOM 0 HD21 LEU A 30 -2.617 21.269 18.106 1.00 45.21 H new ATOM 0 HD22 LEU A 30 -1.042 20.969 18.879 1.00 45.21 H new ATOM 0 HD23 LEU A 30 -2.520 21.035 19.868 1.00 45.21 H new ATOM 474 N ILE A 31 -2.139 26.205 22.332 1.00 3.22 N ATOM 475 CA ILE A 31 -3.199 26.610 23.247 1.00 42.42 C ATOM 476 C ILE A 31 -3.732 27.994 22.892 1.00 42.31 C ATOM 477 O ILE A 31 -3.031 28.829 22.319 1.00 60.43 O ATOM 478 CB ILE A 31 -2.709 26.620 24.707 1.00 14.11 C ATOM 479 CG1 ILE A 31 -1.505 27.551 24.858 1.00 41.40 C ATOM 480 CG2 ILE A 31 -2.355 25.210 25.156 1.00 14.34 C ATOM 481 CD1 ILE A 31 -1.821 28.834 25.596 1.00 71.52 C ATOM 0 H ILE A 31 -1.465 26.939 22.116 1.00 3.22 H new ATOM 0 HA ILE A 31 -4.000 25.878 23.146 1.00 42.42 H new ATOM 0 HB ILE A 31 -3.513 26.992 25.342 1.00 14.11 H new ATOM 0 HG12 ILE A 31 -0.712 27.023 25.387 1.00 41.40 H new ATOM 0 HG13 ILE A 31 -1.119 27.796 23.868 1.00 41.40 H new ATOM 0 HG21 ILE A 31 -2.010 25.233 26.190 1.00 14.34 H new ATOM 0 HG22 ILE A 31 -3.236 24.572 25.081 1.00 14.34 H new ATOM 0 HG23 ILE A 31 -1.565 24.813 24.519 1.00 14.34 H new ATOM 0 HD11 ILE A 31 -0.921 29.445 25.666 1.00 71.52 H new ATOM 0 HD12 ILE A 31 -2.592 29.384 25.056 1.00 71.52 H new ATOM 0 HD13 ILE A 31 -2.178 28.599 26.599 1.00 71.52 H new ATOM 493 N PRO A 32 -5.002 28.247 23.241 1.00 20.35 N ATOM 494 CA PRO A 32 -5.657 29.530 22.972 1.00 51.11 C ATOM 495 C PRO A 32 -5.094 30.659 23.828 1.00 50.41 C ATOM 496 O PRO A 32 -4.256 30.431 24.699 1.00 23.30 O ATOM 497 CB PRO A 32 -7.121 29.264 23.333 1.00 24.01 C ATOM 498 CG PRO A 32 -7.070 28.151 24.322 1.00 14.12 C ATOM 499 CD PRO A 32 -5.896 27.299 23.927 1.00 31.23 C ATOM 0 HA PRO A 32 -5.510 29.854 21.942 1.00 51.11 H new ATOM 0 HB2 PRO A 32 -7.591 30.151 23.758 1.00 24.01 H new ATOM 0 HB3 PRO A 32 -7.702 28.986 22.453 1.00 24.01 H new ATOM 0 HG2 PRO A 32 -6.950 28.535 25.335 1.00 14.12 H new ATOM 0 HG3 PRO A 32 -7.994 27.573 24.307 1.00 14.12 H new ATOM 0 HD2 PRO A 32 -5.415 26.850 24.796 1.00 31.23 H new ATOM 0 HD3 PRO A 32 -6.195 26.482 23.271 1.00 31.23 H new ATOM 507 N GLU A 33 -5.561 31.878 23.574 1.00 70.13 N ATOM 508 CA GLU A 33 -5.103 33.042 24.322 1.00 5.40 C ATOM 509 C GLU A 33 -5.806 34.309 23.843 1.00 71.25 C ATOM 510 O GLU A 33 -6.378 35.053 24.639 1.00 11.15 O ATOM 511 CB GLU A 33 -3.587 33.203 24.181 1.00 74.13 C ATOM 512 CG GLU A 33 -2.827 32.965 25.474 1.00 1.15 C ATOM 513 CD GLU A 33 -2.571 34.246 26.245 1.00 61.13 C ATOM 514 OE1 GLU A 33 -3.466 34.669 27.006 1.00 73.41 O ATOM 515 OE2 GLU A 33 -1.476 34.826 26.086 1.00 34.53 O ATOM 0 H GLU A 33 -6.256 32.084 22.856 1.00 70.13 H new ATOM 0 HA GLU A 33 -5.349 32.886 25.372 1.00 5.40 H new ATOM 0 HB2 GLU A 33 -3.225 32.508 23.424 1.00 74.13 H new ATOM 0 HB3 GLU A 33 -3.369 34.208 23.821 1.00 74.13 H new ATOM 0 HG2 GLU A 33 -3.391 32.275 26.101 1.00 1.15 H new ATOM 0 HG3 GLU A 33 -1.875 32.485 25.248 1.00 1.15 H new ATOM 522 N ILE A 34 -5.758 34.546 22.536 1.00 15.31 N ATOM 523 CA ILE A 34 -6.391 35.722 21.950 1.00 32.53 C ATOM 524 C ILE A 34 -6.980 35.403 20.580 1.00 1.41 C ATOM 525 O ILE A 34 -8.140 35.706 20.307 1.00 54.15 O ATOM 526 CB ILE A 34 -5.394 36.887 21.810 1.00 30.22 C ATOM 527 CG1 ILE A 34 -4.817 37.260 23.177 1.00 23.12 C ATOM 528 CG2 ILE A 34 -6.071 38.089 21.169 1.00 61.00 C ATOM 529 CD1 ILE A 34 -5.836 37.860 24.120 1.00 31.53 C ATOM 0 H ILE A 34 -5.288 33.940 21.863 1.00 15.31 H new ATOM 0 HA ILE A 34 -7.192 36.020 22.627 1.00 32.53 H new ATOM 0 HB ILE A 34 -4.575 36.569 21.165 1.00 30.22 H new ATOM 0 HG12 ILE A 34 -4.389 36.369 23.637 1.00 23.12 H new ATOM 0 HG13 ILE A 34 -4.002 37.970 23.037 1.00 23.12 H new ATOM 0 HG21 ILE A 34 -5.354 38.904 21.077 1.00 61.00 H new ATOM 0 HG22 ILE A 34 -6.438 37.815 20.180 1.00 61.00 H new ATOM 0 HG23 ILE A 34 -6.907 38.410 21.790 1.00 61.00 H new ATOM 0 HD11 ILE A 34 -5.357 38.100 25.069 1.00 31.53 H new ATOM 0 HD12 ILE A 34 -6.247 38.769 23.681 1.00 31.53 H new ATOM 0 HD13 ILE A 34 -6.640 37.144 24.290 1.00 31.53 H new ATOM 541 N ASN A 35 -6.171 34.789 19.723 1.00 51.12 N ATOM 542 CA ASN A 35 -6.612 34.428 18.380 1.00 12.14 C ATOM 543 C ASN A 35 -5.745 33.313 17.804 1.00 4.31 C ATOM 544 O ASN A 35 -5.567 33.215 16.589 1.00 4.12 O ATOM 545 CB ASN A 35 -6.569 35.650 17.461 1.00 51.21 C ATOM 546 CG ASN A 35 -7.848 35.820 16.664 1.00 71.40 C ATOM 547 OD1 ASN A 35 -8.937 35.499 17.141 1.00 62.53 O ATOM 548 ND2 ASN A 35 -7.721 36.326 15.443 1.00 55.20 N ATOM 0 H ASN A 35 -5.207 34.531 19.934 1.00 51.12 H new ATOM 0 HA ASN A 35 -7.639 34.068 18.446 1.00 12.14 H new ATOM 0 HB2 ASN A 35 -6.395 36.545 18.059 1.00 51.21 H new ATOM 0 HB3 ASN A 35 -5.727 35.556 16.775 1.00 51.21 H new ATOM 0 HD21 ASN A 35 -8.546 36.463 14.859 1.00 55.20 H new ATOM 0 HD22 ASN A 35 -6.798 36.578 15.089 1.00 55.20 H new ATOM 555 N LEU A 36 -5.207 32.475 18.683 1.00 34.23 N ATOM 556 CA LEU A 36 -4.358 31.366 18.263 1.00 75.52 C ATOM 557 C LEU A 36 -5.069 30.498 17.229 1.00 20.52 C ATOM 558 O LEU A 36 -4.450 30.005 16.287 1.00 50.11 O ATOM 559 CB LEU A 36 -3.959 30.516 19.471 1.00 55.40 C ATOM 560 CG LEU A 36 -3.267 29.189 19.159 1.00 5.43 C ATOM 561 CD1 LEU A 36 -1.846 29.189 19.702 1.00 21.32 C ATOM 562 CD2 LEU A 36 -4.060 28.025 19.735 1.00 41.43 C ATOM 0 H LEU A 36 -5.344 32.542 19.692 1.00 34.23 H new ATOM 0 HA LEU A 36 -3.459 31.781 17.807 1.00 75.52 H new ATOM 0 HB2 LEU A 36 -3.297 31.108 20.104 1.00 55.40 H new ATOM 0 HB3 LEU A 36 -4.855 30.307 20.055 1.00 55.40 H new ATOM 0 HG LEU A 36 -3.221 29.070 18.076 1.00 5.43 H new ATOM 0 HD11 LEU A 36 -1.368 28.237 19.471 1.00 21.32 H new ATOM 0 HD12 LEU A 36 -1.281 30.000 19.242 1.00 21.32 H new ATOM 0 HD13 LEU A 36 -1.869 29.330 20.783 1.00 21.32 H new ATOM 0 HD21 LEU A 36 -3.552 27.089 19.503 1.00 41.43 H new ATOM 0 HD22 LEU A 36 -4.138 28.137 20.816 1.00 41.43 H new ATOM 0 HD23 LEU A 36 -5.059 28.014 19.299 1.00 41.43 H new ATOM 574 N ASN A 37 -6.373 30.316 17.412 1.00 41.31 N ATOM 575 CA ASN A 37 -7.168 29.509 16.494 1.00 15.11 C ATOM 576 C ASN A 37 -7.073 30.050 15.071 1.00 44.22 C ATOM 577 O ASN A 37 -6.787 29.308 14.131 1.00 22.44 O ATOM 578 CB ASN A 37 -8.631 29.480 16.943 1.00 3.54 C ATOM 579 CG ASN A 37 -8.976 28.216 17.707 1.00 54.54 C ATOM 580 OD1 ASN A 37 -8.222 27.776 18.574 1.00 12.13 O ATOM 581 ND2 ASN A 37 -10.122 27.626 17.386 1.00 42.25 N ATOM 0 H ASN A 37 -6.901 30.716 18.187 1.00 41.31 H new ATOM 0 HA ASN A 37 -6.770 28.494 16.505 1.00 15.11 H new ATOM 0 HB2 ASN A 37 -8.833 30.348 17.571 1.00 3.54 H new ATOM 0 HB3 ASN A 37 -9.278 29.562 16.070 1.00 3.54 H new ATOM 0 HD21 ASN A 37 -10.408 26.772 17.865 1.00 42.25 H new ATOM 0 HD22 ASN A 37 -10.716 28.027 16.660 1.00 42.25 H new ATOM 588 N ASP A 38 -7.313 31.348 14.920 1.00 61.02 N ATOM 589 CA ASP A 38 -7.252 31.990 13.612 1.00 71.33 C ATOM 590 C ASP A 38 -5.866 31.835 12.995 1.00 44.53 C ATOM 591 O ASP A 38 -5.725 31.366 11.865 1.00 51.23 O ATOM 592 CB ASP A 38 -7.609 33.472 13.730 1.00 12.22 C ATOM 593 CG ASP A 38 -9.102 33.699 13.863 1.00 12.23 C ATOM 594 OD1 ASP A 38 -9.740 32.995 14.675 1.00 42.34 O ATOM 595 OD2 ASP A 38 -9.633 34.581 13.157 1.00 51.31 O ATOM 0 H ASP A 38 -7.552 31.976 15.687 1.00 61.02 H new ATOM 0 HA ASP A 38 -7.977 31.501 12.961 1.00 71.33 H new ATOM 0 HB2 ASP A 38 -7.101 33.897 14.596 1.00 12.22 H new ATOM 0 HB3 ASP A 38 -7.241 34.003 12.852 1.00 12.22 H new ATOM 600 N THR A 39 -4.842 32.235 13.744 1.00 72.34 N ATOM 601 CA THR A 39 -3.467 32.143 13.270 1.00 41.21 C ATOM 602 C THR A 39 -3.112 30.712 12.884 1.00 34.31 C ATOM 603 O THR A 39 -2.580 30.464 11.802 1.00 21.51 O ATOM 604 CB THR A 39 -2.471 32.637 14.337 1.00 74.14 C ATOM 605 OG1 THR A 39 -3.150 33.449 15.301 1.00 23.03 O ATOM 606 CG2 THR A 39 -1.345 33.434 13.697 1.00 4.43 C ATOM 0 H THR A 39 -4.940 32.626 14.681 1.00 72.34 H new ATOM 0 HA THR A 39 -3.393 32.782 12.390 1.00 41.21 H new ATOM 0 HB THR A 39 -2.042 31.767 14.834 1.00 74.14 H new ATOM 0 HG1 THR A 39 -2.511 33.758 15.977 1.00 23.03 H new ATOM 0 HG21 THR A 39 -0.654 33.772 14.469 1.00 4.43 H new ATOM 0 HG22 THR A 39 -0.812 32.804 12.985 1.00 4.43 H new ATOM 0 HG23 THR A 39 -1.760 34.298 13.178 1.00 4.43 H new ATOM 614 N PHE A 40 -3.411 29.772 13.775 1.00 15.31 N ATOM 615 CA PHE A 40 -3.124 28.364 13.527 1.00 2.35 C ATOM 616 C PHE A 40 -3.835 27.877 12.269 1.00 51.15 C ATOM 617 O PHE A 40 -3.312 27.042 11.531 1.00 43.25 O ATOM 618 CB PHE A 40 -3.549 27.516 14.728 1.00 52.22 C ATOM 619 CG PHE A 40 -2.955 26.137 14.728 1.00 61.32 C ATOM 620 CD1 PHE A 40 -1.615 25.945 14.433 1.00 42.34 C ATOM 621 CD2 PHE A 40 -3.737 25.031 15.023 1.00 43.35 C ATOM 622 CE1 PHE A 40 -1.065 24.677 14.432 1.00 3.21 C ATOM 623 CE2 PHE A 40 -3.192 23.761 15.024 1.00 51.10 C ATOM 624 CZ PHE A 40 -1.855 23.584 14.727 1.00 22.32 C ATOM 0 H PHE A 40 -3.852 29.960 14.675 1.00 15.31 H new ATOM 0 HA PHE A 40 -2.049 28.259 13.379 1.00 2.35 H new ATOM 0 HB2 PHE A 40 -3.258 28.028 15.645 1.00 52.22 H new ATOM 0 HB3 PHE A 40 -4.636 27.435 14.739 1.00 52.22 H new ATOM 0 HD1 PHE A 40 -0.993 26.797 14.201 1.00 42.34 H new ATOM 0 HD2 PHE A 40 -4.784 25.163 15.255 1.00 43.35 H new ATOM 0 HE1 PHE A 40 -0.019 24.541 14.201 1.00 3.21 H new ATOM 0 HE2 PHE A 40 -3.811 22.907 15.257 1.00 51.10 H new ATOM 0 HZ PHE A 40 -1.428 22.592 14.726 1.00 22.32 H new ATOM 634 N ASP A 41 -5.031 28.404 12.031 1.00 51.23 N ATOM 635 CA ASP A 41 -5.815 28.024 10.861 1.00 13.34 C ATOM 636 C ASP A 41 -5.177 28.558 9.582 1.00 31.45 C ATOM 637 O ASP A 41 -4.819 27.791 8.687 1.00 12.14 O ATOM 638 CB ASP A 41 -7.247 28.548 10.989 1.00 44.04 C ATOM 639 CG ASP A 41 -8.265 27.605 10.378 1.00 24.23 C ATOM 640 OD1 ASP A 41 -8.315 27.510 9.134 1.00 61.01 O ATOM 641 OD2 ASP A 41 -9.010 26.961 11.145 1.00 34.21 O ATOM 0 H ASP A 41 -5.479 29.095 12.632 1.00 51.23 H new ATOM 0 HA ASP A 41 -5.838 26.936 10.807 1.00 13.34 H new ATOM 0 HB2 ASP A 41 -7.483 28.699 12.042 1.00 44.04 H new ATOM 0 HB3 ASP A 41 -7.320 29.521 10.503 1.00 44.04 H new ATOM 646 N THR A 42 -5.038 29.877 9.502 1.00 11.31 N ATOM 647 CA THR A 42 -4.446 30.514 8.332 1.00 24.45 C ATOM 648 C THR A 42 -3.027 30.010 8.092 1.00 73.54 C ATOM 649 O THR A 42 -2.540 30.014 6.961 1.00 5.31 O ATOM 650 CB THR A 42 -4.415 32.046 8.482 1.00 40.41 C ATOM 651 OG1 THR A 42 -4.425 32.665 7.190 1.00 35.24 O ATOM 652 CG2 THR A 42 -3.181 32.491 9.252 1.00 23.53 C ATOM 0 H THR A 42 -5.327 30.526 10.234 1.00 11.31 H new ATOM 0 HA THR A 42 -5.072 30.253 7.479 1.00 24.45 H new ATOM 0 HB THR A 42 -5.301 32.351 9.039 1.00 40.41 H new ATOM 0 HG1 THR A 42 -4.407 33.639 7.294 1.00 35.24 H new ATOM 0 HG21 THR A 42 -3.182 33.577 9.345 1.00 23.53 H new ATOM 0 HG22 THR A 42 -3.190 32.042 10.245 1.00 23.53 H new ATOM 0 HG23 THR A 42 -2.285 32.173 8.719 1.00 23.53 H new ATOM 660 N PHE A 43 -2.369 29.574 9.161 1.00 14.10 N ATOM 661 CA PHE A 43 -1.006 29.066 9.066 1.00 43.45 C ATOM 662 C PHE A 43 -0.981 27.695 8.396 1.00 15.34 C ATOM 663 O PHE A 43 -0.367 27.517 7.345 1.00 32.31 O ATOM 664 CB PHE A 43 -0.373 28.979 10.456 1.00 41.22 C ATOM 665 CG PHE A 43 1.053 28.507 10.437 1.00 72.21 C ATOM 666 CD1 PHE A 43 1.550 27.723 11.465 1.00 24.13 C ATOM 667 CD2 PHE A 43 1.895 28.847 9.391 1.00 44.11 C ATOM 668 CE1 PHE A 43 2.862 27.286 11.451 1.00 52.12 C ATOM 669 CE2 PHE A 43 3.207 28.413 9.371 1.00 63.12 C ATOM 670 CZ PHE A 43 3.692 27.633 10.403 1.00 75.44 C ATOM 0 H PHE A 43 -2.758 29.562 10.104 1.00 14.10 H new ATOM 0 HA PHE A 43 -0.429 29.760 8.455 1.00 43.45 H new ATOM 0 HB2 PHE A 43 -0.416 29.960 10.928 1.00 41.22 H new ATOM 0 HB3 PHE A 43 -0.963 28.302 11.074 1.00 41.22 H new ATOM 0 HD1 PHE A 43 0.905 27.450 12.287 1.00 24.13 H new ATOM 0 HD2 PHE A 43 1.522 29.458 8.582 1.00 44.11 H new ATOM 0 HE1 PHE A 43 3.237 26.674 12.258 1.00 52.12 H new ATOM 0 HE2 PHE A 43 3.853 28.684 8.549 1.00 63.12 H new ATOM 0 HZ PHE A 43 4.718 27.295 10.390 1.00 75.44 H new ATOM 680 N ALA A 44 -1.654 26.730 9.014 1.00 30.15 N ATOM 681 CA ALA A 44 -1.711 25.375 8.479 1.00 13.41 C ATOM 682 C ALA A 44 -2.261 25.370 7.057 1.00 43.24 C ATOM 683 O ALA A 44 -1.700 24.730 6.166 1.00 52.11 O ATOM 684 CB ALA A 44 -2.560 24.488 9.378 1.00 42.11 C ATOM 0 H ALA A 44 -2.167 26.861 9.886 1.00 30.15 H new ATOM 0 HA ALA A 44 -0.696 24.979 8.450 1.00 13.41 H new ATOM 0 HB1 ALA A 44 -2.594 23.479 8.967 1.00 42.11 H new ATOM 0 HB2 ALA A 44 -2.124 24.458 10.376 1.00 42.11 H new ATOM 0 HB3 ALA A 44 -3.571 24.890 9.436 1.00 42.11 H new ATOM 690 N LEU A 45 -3.360 26.086 6.850 1.00 53.35 N ATOM 691 CA LEU A 45 -3.986 26.164 5.534 1.00 35.32 C ATOM 692 C LEU A 45 -2.942 26.394 4.447 1.00 51.34 C ATOM 693 O LEU A 45 -2.787 25.578 3.538 1.00 1.21 O ATOM 694 CB LEU A 45 -5.024 27.287 5.507 1.00 13.10 C ATOM 695 CG LEU A 45 -6.202 27.090 4.552 1.00 42.25 C ATOM 696 CD1 LEU A 45 -5.707 26.685 3.172 1.00 74.04 C ATOM 697 CD2 LEU A 45 -7.166 26.050 5.101 1.00 35.43 C ATOM 0 H LEU A 45 -3.837 26.621 7.576 1.00 53.35 H new ATOM 0 HA LEU A 45 -4.483 25.214 5.338 1.00 35.32 H new ATOM 0 HB2 LEU A 45 -5.417 27.415 6.515 1.00 13.10 H new ATOM 0 HB3 LEU A 45 -4.518 28.215 5.242 1.00 13.10 H new ATOM 0 HG LEU A 45 -6.734 28.037 4.462 1.00 42.25 H new ATOM 0 HD11 LEU A 45 -6.559 26.549 2.505 1.00 74.04 H new ATOM 0 HD12 LEU A 45 -5.057 27.465 2.775 1.00 74.04 H new ATOM 0 HD13 LEU A 45 -5.151 25.751 3.245 1.00 74.04 H new ATOM 0 HD21 LEU A 45 -7.998 25.923 4.408 1.00 35.43 H new ATOM 0 HD22 LEU A 45 -6.646 25.100 5.222 1.00 35.43 H new ATOM 0 HD23 LEU A 45 -7.546 26.381 6.068 1.00 35.43 H new ATOM 709 N ASP A 46 -2.228 27.510 4.547 1.00 25.41 N ATOM 710 CA ASP A 46 -1.195 27.846 3.574 1.00 40.41 C ATOM 711 C ASP A 46 -0.288 26.649 3.307 1.00 34.21 C ATOM 712 O ASP A 46 0.020 26.335 2.157 1.00 24.44 O ATOM 713 CB ASP A 46 -0.364 29.031 4.069 1.00 23.35 C ATOM 714 CG ASP A 46 -0.132 30.068 2.989 1.00 53.34 C ATOM 715 OD1 ASP A 46 -1.095 30.394 2.263 1.00 50.15 O ATOM 716 OD2 ASP A 46 1.011 30.555 2.869 1.00 2.34 O ATOM 0 H ASP A 46 -2.346 28.197 5.292 1.00 25.41 H new ATOM 0 HA ASP A 46 -1.686 28.121 2.641 1.00 40.41 H new ATOM 0 HB2 ASP A 46 -0.870 29.498 4.914 1.00 23.35 H new ATOM 0 HB3 ASP A 46 0.597 28.669 4.434 1.00 23.35 H new ATOM 721 N PHE A 47 0.136 25.984 4.377 1.00 51.51 N ATOM 722 CA PHE A 47 1.009 24.823 4.259 1.00 62.43 C ATOM 723 C PHE A 47 0.370 23.749 3.383 1.00 62.04 C ATOM 724 O PHE A 47 0.997 23.233 2.458 1.00 44.14 O ATOM 725 CB PHE A 47 1.320 24.249 5.643 1.00 62.13 C ATOM 726 CG PHE A 47 2.730 24.504 6.095 1.00 53.45 C ATOM 727 CD1 PHE A 47 3.803 24.149 5.294 1.00 41.33 C ATOM 728 CD2 PHE A 47 2.981 25.099 7.320 1.00 1.24 C ATOM 729 CE1 PHE A 47 5.101 24.383 5.706 1.00 4.33 C ATOM 730 CE2 PHE A 47 4.277 25.336 7.738 1.00 1.01 C ATOM 731 CZ PHE A 47 5.339 24.977 6.931 1.00 75.53 C ATOM 0 H PHE A 47 -0.111 26.230 5.336 1.00 51.51 H new ATOM 0 HA PHE A 47 1.938 25.145 3.789 1.00 62.43 H new ATOM 0 HB2 PHE A 47 0.631 24.680 6.369 1.00 62.13 H new ATOM 0 HB3 PHE A 47 1.140 23.174 5.631 1.00 62.13 H new ATOM 0 HD1 PHE A 47 3.623 23.684 4.336 1.00 41.33 H new ATOM 0 HD2 PHE A 47 2.155 25.381 7.956 1.00 1.24 H new ATOM 0 HE1 PHE A 47 5.929 24.102 5.071 1.00 4.33 H new ATOM 0 HE2 PHE A 47 4.459 25.802 8.695 1.00 1.01 H new ATOM 0 HZ PHE A 47 6.352 25.160 7.256 1.00 75.53 H new ATOM 741 N SER A 48 -0.882 23.417 3.682 1.00 44.21 N ATOM 742 CA SER A 48 -1.605 22.402 2.925 1.00 11.12 C ATOM 743 C SER A 48 -1.560 22.703 1.430 1.00 5.53 C ATOM 744 O SER A 48 -1.297 21.819 0.615 1.00 32.13 O ATOM 745 CB SER A 48 -3.058 22.323 3.397 1.00 13.11 C ATOM 746 OG SER A 48 -3.612 21.046 3.133 1.00 63.34 O ATOM 0 H SER A 48 -1.416 23.836 4.443 1.00 44.21 H new ATOM 0 HA SER A 48 -1.121 21.441 3.099 1.00 11.12 H new ATOM 0 HB2 SER A 48 -3.108 22.530 4.466 1.00 13.11 H new ATOM 0 HB3 SER A 48 -3.649 23.090 2.895 1.00 13.11 H new ATOM 0 HG SER A 48 -4.540 21.021 3.446 1.00 63.34 H new ATOM 752 N ARG A 49 -1.817 23.959 1.078 1.00 31.22 N ATOM 753 CA ARG A 49 -1.807 24.378 -0.318 1.00 51.01 C ATOM 754 C ARG A 49 -0.541 23.896 -1.021 1.00 54.33 C ATOM 755 O ARG A 49 -0.593 23.421 -2.155 1.00 31.30 O ATOM 756 CB ARG A 49 -1.910 25.901 -0.416 1.00 45.22 C ATOM 757 CG ARG A 49 -1.679 26.438 -1.819 1.00 52.05 C ATOM 758 CD ARG A 49 -2.753 25.957 -2.783 1.00 41.30 C ATOM 759 NE ARG A 49 -3.332 27.057 -3.550 1.00 61.23 N ATOM 760 CZ ARG A 49 -4.151 26.882 -4.581 1.00 15.21 C ATOM 761 NH1 ARG A 49 -4.487 25.659 -4.965 1.00 72.53 N ATOM 762 NH2 ARG A 49 -4.638 27.933 -5.229 1.00 44.10 N ATOM 0 H ARG A 49 -2.035 24.703 1.740 1.00 31.22 H new ATOM 0 HA ARG A 49 -2.669 23.930 -0.812 1.00 51.01 H new ATOM 0 HB2 ARG A 49 -2.897 26.213 -0.075 1.00 45.22 H new ATOM 0 HB3 ARG A 49 -1.183 26.350 0.260 1.00 45.22 H new ATOM 0 HG2 ARG A 49 -1.671 27.528 -1.796 1.00 52.05 H new ATOM 0 HG3 ARG A 49 -0.699 26.119 -2.175 1.00 52.05 H new ATOM 0 HD2 ARG A 49 -2.325 25.224 -3.467 1.00 41.30 H new ATOM 0 HD3 ARG A 49 -3.540 25.450 -2.225 1.00 41.30 H new ATOM 0 HE ARG A 49 -3.095 28.011 -3.279 1.00 61.23 H new ATOM 0 HH11 ARG A 49 -4.117 24.849 -4.468 1.00 72.53 H new ATOM 0 HH12 ARG A 49 -5.116 25.528 -5.757 1.00 72.53 H new ATOM 0 HH21 ARG A 49 -4.383 28.876 -4.935 1.00 44.10 H new ATOM 0 HH22 ARG A 49 -5.267 27.798 -6.021 1.00 44.10 H new ATOM 776 N GLU A 50 0.593 24.024 -0.340 1.00 60.11 N ATOM 777 CA GLU A 50 1.871 23.603 -0.901 1.00 25.32 C ATOM 778 C GLU A 50 1.954 22.081 -0.984 1.00 41.34 C ATOM 779 O GLU A 50 2.561 21.530 -1.903 1.00 4.22 O ATOM 780 CB GLU A 50 3.027 24.141 -0.055 1.00 10.42 C ATOM 781 CG GLU A 50 4.375 24.076 -0.753 1.00 52.33 C ATOM 782 CD GLU A 50 5.453 24.846 -0.014 1.00 74.35 C ATOM 783 OE1 GLU A 50 6.638 24.703 -0.380 1.00 4.04 O ATOM 784 OE2 GLU A 50 5.111 25.590 0.928 1.00 32.32 O ATOM 0 H GLU A 50 0.653 24.415 0.600 1.00 60.11 H new ATOM 0 HA GLU A 50 1.947 24.010 -1.909 1.00 25.32 H new ATOM 0 HB2 GLU A 50 2.817 25.176 0.215 1.00 10.42 H new ATOM 0 HB3 GLU A 50 3.081 23.573 0.874 1.00 10.42 H new ATOM 0 HG2 GLU A 50 4.680 23.034 -0.850 1.00 52.33 H new ATOM 0 HG3 GLU A 50 4.277 24.475 -1.763 1.00 52.33 H new ATOM 791 N LYS A 51 1.339 21.407 -0.018 1.00 42.44 N ATOM 792 CA LYS A 51 1.341 19.950 0.019 1.00 22.21 C ATOM 793 C LYS A 51 0.666 19.373 -1.221 1.00 64.32 C ATOM 794 O LYS A 51 1.036 18.300 -1.700 1.00 2.31 O ATOM 795 CB LYS A 51 0.630 19.451 1.279 1.00 73.53 C ATOM 796 CG LYS A 51 -0.150 18.164 1.067 1.00 2.15 C ATOM 797 CD LYS A 51 -1.638 18.432 0.916 1.00 3.21 C ATOM 798 CE LYS A 51 -2.258 17.544 -0.152 1.00 12.14 C ATOM 799 NZ LYS A 51 -1.739 16.150 -0.084 1.00 12.02 N ATOM 0 H LYS A 51 0.833 21.847 0.750 1.00 42.44 H new ATOM 0 HA LYS A 51 2.377 19.613 0.036 1.00 22.21 H new ATOM 0 HB2 LYS A 51 1.369 19.293 2.065 1.00 73.53 H new ATOM 0 HB3 LYS A 51 -0.051 20.225 1.633 1.00 73.53 H new ATOM 0 HG2 LYS A 51 0.221 17.655 0.177 1.00 2.15 H new ATOM 0 HG3 LYS A 51 0.016 17.494 1.910 1.00 2.15 H new ATOM 0 HD2 LYS A 51 -2.138 18.260 1.869 1.00 3.21 H new ATOM 0 HD3 LYS A 51 -1.796 19.479 0.657 1.00 3.21 H new ATOM 0 HE2 LYS A 51 -3.341 17.534 -0.032 1.00 12.14 H new ATOM 0 HE3 LYS A 51 -2.050 17.961 -1.137 1.00 12.14 H new ATOM 0 HZ1 LYS A 51 -2.471 15.490 -0.417 1.00 12.02 H new ATOM 0 HZ2 LYS A 51 -0.895 16.064 -0.686 1.00 12.02 H new ATOM 0 HZ3 LYS A 51 -1.488 15.921 0.899 1.00 12.02 H new ATOM 813 N LYS A 52 -0.324 20.091 -1.738 1.00 53.25 N ATOM 814 CA LYS A 52 -1.050 19.653 -2.925 1.00 65.20 C ATOM 815 C LYS A 52 -0.211 19.860 -4.182 1.00 72.44 C ATOM 816 O LYS A 52 0.075 18.910 -4.913 1.00 42.21 O ATOM 817 CB LYS A 52 -2.372 20.413 -3.050 1.00 4.41 C ATOM 818 CG LYS A 52 -3.045 20.685 -1.716 1.00 52.50 C ATOM 819 CD LYS A 52 -4.559 20.642 -1.837 1.00 13.42 C ATOM 820 CE LYS A 52 -5.233 21.269 -0.625 1.00 71.54 C ATOM 821 NZ LYS A 52 -6.559 20.650 -0.346 1.00 64.25 N ATOM 0 H LYS A 52 -0.643 20.980 -1.354 1.00 53.25 H new ATOM 0 HA LYS A 52 -1.260 18.589 -2.820 1.00 65.20 H new ATOM 0 HB2 LYS A 52 -2.190 21.361 -3.556 1.00 4.41 H new ATOM 0 HB3 LYS A 52 -3.052 19.841 -3.681 1.00 4.41 H new ATOM 0 HG2 LYS A 52 -2.716 19.947 -0.984 1.00 52.50 H new ATOM 0 HG3 LYS A 52 -2.736 21.662 -1.344 1.00 52.50 H new ATOM 0 HD2 LYS A 52 -4.868 21.169 -2.740 1.00 13.42 H new ATOM 0 HD3 LYS A 52 -4.887 19.608 -1.943 1.00 13.42 H new ATOM 0 HE2 LYS A 52 -4.589 21.157 0.247 1.00 71.54 H new ATOM 0 HE3 LYS A 52 -5.359 22.339 -0.792 1.00 71.54 H new ATOM 0 HZ1 LYS A 52 -6.986 21.104 0.487 1.00 64.25 H new ATOM 0 HZ2 LYS A 52 -7.182 20.779 -1.168 1.00 64.25 H new ATOM 0 HZ3 LYS A 52 -6.436 19.634 -0.161 1.00 64.25 H new ATOM 835 N LEU A 53 0.181 21.105 -4.428 1.00 73.24 N ATOM 836 CA LEU A 53 0.988 21.436 -5.597 1.00 43.03 C ATOM 837 C LEU A 53 2.213 20.531 -5.687 1.00 73.13 C ATOM 838 O LEU A 53 2.722 20.264 -6.777 1.00 5.54 O ATOM 839 CB LEU A 53 1.426 22.901 -5.541 1.00 73.31 C ATOM 840 CG LEU A 53 2.383 23.358 -6.642 1.00 41.12 C ATOM 841 CD1 LEU A 53 2.006 24.747 -7.134 1.00 64.00 C ATOM 842 CD2 LEU A 53 3.820 23.339 -6.141 1.00 51.04 C ATOM 0 H LEU A 53 -0.047 21.902 -3.834 1.00 73.24 H new ATOM 0 HA LEU A 53 0.377 21.279 -6.486 1.00 43.03 H new ATOM 0 HB2 LEU A 53 0.535 23.527 -5.579 1.00 73.31 H new ATOM 0 HB3 LEU A 53 1.901 23.081 -4.577 1.00 73.31 H new ATOM 0 HG LEU A 53 2.302 22.664 -7.479 1.00 41.12 H new ATOM 0 HD11 LEU A 53 2.698 25.056 -7.917 1.00 64.00 H new ATOM 0 HD12 LEU A 53 0.992 24.729 -7.532 1.00 64.00 H new ATOM 0 HD13 LEU A 53 2.058 25.453 -6.305 1.00 64.00 H new ATOM 0 HD21 LEU A 53 4.487 23.667 -6.938 1.00 51.04 H new ATOM 0 HD22 LEU A 53 3.917 24.010 -5.287 1.00 51.04 H new ATOM 0 HD23 LEU A 53 4.087 22.326 -5.839 1.00 51.04 H new ATOM 854 N LEU A 54 2.679 20.059 -4.536 1.00 41.14 N ATOM 855 CA LEU A 54 3.843 19.181 -4.485 1.00 11.13 C ATOM 856 C LEU A 54 3.470 17.759 -4.891 1.00 24.23 C ATOM 857 O LEU A 54 4.043 17.200 -5.825 1.00 44.35 O ATOM 858 CB LEU A 54 4.444 19.181 -3.078 1.00 45.23 C ATOM 859 CG LEU A 54 5.633 18.245 -2.857 1.00 0.14 C ATOM 860 CD1 LEU A 54 5.152 16.842 -2.523 1.00 20.43 C ATOM 861 CD2 LEU A 54 6.532 18.225 -4.084 1.00 62.21 C ATOM 0 H LEU A 54 2.269 20.269 -3.626 1.00 41.14 H new ATOM 0 HA LEU A 54 4.584 19.558 -5.190 1.00 11.13 H new ATOM 0 HB2 LEU A 54 4.757 20.197 -2.838 1.00 45.23 H new ATOM 0 HB3 LEU A 54 3.660 18.914 -2.369 1.00 45.23 H new ATOM 0 HG LEU A 54 6.213 18.619 -2.013 1.00 0.14 H new ATOM 0 HD11 LEU A 54 6.012 16.190 -2.369 1.00 20.43 H new ATOM 0 HD12 LEU A 54 4.551 16.870 -1.614 1.00 20.43 H new ATOM 0 HD13 LEU A 54 4.548 16.459 -3.346 1.00 20.43 H new ATOM 0 HD21 LEU A 54 7.373 17.554 -3.908 1.00 62.21 H new ATOM 0 HD22 LEU A 54 5.963 17.876 -4.946 1.00 62.21 H new ATOM 0 HD23 LEU A 54 6.905 19.231 -4.278 1.00 62.21 H new ATOM 873 N GLU A 55 2.506 17.180 -4.183 1.00 14.15 N ATOM 874 CA GLU A 55 2.056 15.823 -4.471 1.00 2.20 C ATOM 875 C GLU A 55 1.446 15.737 -5.867 1.00 11.40 C ATOM 876 O GLU A 55 1.976 15.058 -6.747 1.00 40.21 O ATOM 877 CB GLU A 55 1.034 15.368 -3.427 1.00 25.21 C ATOM 878 CG GLU A 55 0.957 13.859 -3.269 1.00 74.44 C ATOM 879 CD GLU A 55 -0.435 13.382 -2.900 1.00 64.41 C ATOM 880 OE1 GLU A 55 -0.903 12.394 -3.505 1.00 44.33 O ATOM 881 OE2 GLU A 55 -1.055 13.995 -2.007 1.00 72.00 O ATOM 0 H GLU A 55 2.021 17.629 -3.406 1.00 14.15 H new ATOM 0 HA GLU A 55 2.923 15.164 -4.431 1.00 2.20 H new ATOM 0 HB2 GLU A 55 1.287 15.813 -2.465 1.00 25.21 H new ATOM 0 HB3 GLU A 55 0.050 15.747 -3.705 1.00 25.21 H new ATOM 0 HG2 GLU A 55 1.265 13.384 -4.200 1.00 74.44 H new ATOM 0 HG3 GLU A 55 1.662 13.541 -2.501 1.00 74.44 H new ATOM 888 N CYS A 56 0.329 16.430 -6.061 1.00 60.33 N ATOM 889 CA CYS A 56 -0.355 16.431 -7.349 1.00 52.45 C ATOM 890 C CYS A 56 -0.856 15.034 -7.701 1.00 13.33 C ATOM 891 O CYS A 56 -0.073 14.155 -8.062 1.00 33.45 O ATOM 892 CB CYS A 56 0.580 16.942 -8.447 1.00 22.34 C ATOM 893 SG CYS A 56 -0.259 17.839 -9.773 1.00 64.15 S ATOM 0 H CYS A 56 -0.122 16.998 -5.343 1.00 60.33 H new ATOM 0 HA CYS A 56 -1.215 17.097 -7.274 1.00 52.45 H new ATOM 0 HB2 CYS A 56 1.328 17.595 -7.997 1.00 22.34 H new ATOM 0 HB3 CYS A 56 1.114 16.095 -8.877 1.00 22.34 H new ATOM 0 HG CYS A 56 0.615 18.233 -10.651 1.00 64.15 H new ATOM 899 N LEU A 57 -2.165 14.836 -7.591 1.00 53.45 N ATOM 900 CA LEU A 57 -2.772 13.545 -7.896 1.00 41.10 C ATOM 901 C LEU A 57 -3.709 13.653 -9.095 1.00 31.24 C ATOM 902 O LEU A 57 -3.896 12.689 -9.838 1.00 1.22 O ATOM 903 CB LEU A 57 -3.538 13.020 -6.681 1.00 12.14 C ATOM 904 CG LEU A 57 -4.274 11.694 -6.873 1.00 30.52 C ATOM 905 CD1 LEU A 57 -3.408 10.531 -6.414 1.00 4.14 C ATOM 906 CD2 LEU A 57 -5.597 11.704 -6.122 1.00 14.13 C ATOM 0 H LEU A 57 -2.826 15.553 -7.293 1.00 53.45 H new ATOM 0 HA LEU A 57 -1.974 12.846 -8.145 1.00 41.10 H new ATOM 0 HB2 LEU A 57 -2.836 12.906 -5.855 1.00 12.14 H new ATOM 0 HB3 LEU A 57 -4.264 13.775 -6.380 1.00 12.14 H new ATOM 0 HG LEU A 57 -4.483 11.568 -7.935 1.00 30.52 H new ATOM 0 HD11 LEU A 57 -3.949 9.596 -6.558 1.00 4.14 H new ATOM 0 HD12 LEU A 57 -2.487 10.511 -6.996 1.00 4.14 H new ATOM 0 HD13 LEU A 57 -3.167 10.651 -5.358 1.00 4.14 H new ATOM 0 HD21 LEU A 57 -6.107 10.752 -6.270 1.00 14.13 H new ATOM 0 HD22 LEU A 57 -5.411 11.854 -5.059 1.00 14.13 H new ATOM 0 HD23 LEU A 57 -6.223 12.513 -6.498 1.00 14.13 H new ATOM 918 N ASP A 58 -4.294 14.831 -9.278 1.00 1.45 N ATOM 919 CA ASP A 58 -5.209 15.067 -10.388 1.00 73.41 C ATOM 920 C ASP A 58 -5.166 16.527 -10.828 1.00 61.43 C ATOM 921 O ASP A 58 -4.643 16.848 -11.896 1.00 10.44 O ATOM 922 CB ASP A 58 -6.636 14.683 -9.991 1.00 63.13 C ATOM 923 CG ASP A 58 -7.117 13.431 -10.699 1.00 4.23 C ATOM 924 OD1 ASP A 58 -7.555 12.489 -10.006 1.00 12.03 O ATOM 925 OD2 ASP A 58 -7.055 13.394 -11.945 1.00 71.12 O ATOM 0 H ASP A 58 -4.151 15.638 -8.671 1.00 1.45 H new ATOM 0 HA ASP A 58 -4.893 14.445 -11.225 1.00 73.41 H new ATOM 0 HB2 ASP A 58 -6.681 14.527 -8.913 1.00 63.13 H new ATOM 0 HB3 ASP A 58 -7.309 15.509 -10.222 1.00 63.13 H new ATOM 930 N TYR A 59 -5.719 17.405 -10.000 1.00 52.42 N ATOM 931 CA TYR A 59 -5.747 18.831 -10.305 1.00 61.15 C ATOM 932 C TYR A 59 -6.257 19.634 -9.113 1.00 31.33 C ATOM 933 O TYR A 59 -6.893 19.090 -8.209 1.00 75.42 O ATOM 934 CB TYR A 59 -6.629 19.095 -11.527 1.00 43.20 C ATOM 935 CG TYR A 59 -6.195 20.295 -12.338 1.00 54.25 C ATOM 936 CD1 TYR A 59 -7.062 21.359 -12.558 1.00 43.22 C ATOM 937 CD2 TYR A 59 -4.921 20.365 -12.886 1.00 65.32 C ATOM 938 CE1 TYR A 59 -6.671 22.457 -13.299 1.00 45.44 C ATOM 939 CE2 TYR A 59 -4.520 21.460 -13.627 1.00 73.55 C ATOM 940 CZ TYR A 59 -5.399 22.503 -13.832 1.00 2.15 C ATOM 941 OH TYR A 59 -5.004 23.595 -14.571 1.00 35.24 O ATOM 0 H TYR A 59 -6.154 17.155 -9.112 1.00 52.42 H new ATOM 0 HA TYR A 59 -4.728 19.149 -10.524 1.00 61.15 H new ATOM 0 HB2 TYR A 59 -6.622 18.213 -12.167 1.00 43.20 H new ATOM 0 HB3 TYR A 59 -7.658 19.242 -11.198 1.00 43.20 H new ATOM 0 HD1 TYR A 59 -8.058 21.327 -12.142 1.00 43.22 H new ATOM 0 HD2 TYR A 59 -4.231 19.549 -12.730 1.00 65.32 H new ATOM 0 HE1 TYR A 59 -7.357 23.275 -13.460 1.00 45.44 H new ATOM 0 HE2 TYR A 59 -3.524 21.499 -14.043 1.00 73.55 H new ATOM 0 HH TYR A 59 -4.080 23.469 -14.872 1.00 35.24 H new ATOM 951 N LEU A 60 -5.974 20.932 -9.117 1.00 23.50 N ATOM 952 CA LEU A 60 -6.404 21.812 -8.036 1.00 43.13 C ATOM 953 C LEU A 60 -5.902 21.305 -6.688 1.00 71.31 C ATOM 954 O LEU A 60 -4.946 21.841 -6.128 1.00 53.21 O ATOM 955 CB LEU A 60 -7.929 21.921 -8.017 1.00 54.24 C ATOM 956 CG LEU A 60 -8.521 22.886 -6.988 1.00 64.45 C ATOM 957 CD1 LEU A 60 -8.850 24.221 -7.637 1.00 12.34 C ATOM 958 CD2 LEU A 60 -9.760 22.283 -6.344 1.00 14.23 C ATOM 0 H LEU A 60 -5.449 21.398 -9.857 1.00 23.50 H new ATOM 0 HA LEU A 60 -5.977 22.799 -8.213 1.00 43.13 H new ATOM 0 HB2 LEU A 60 -8.264 22.228 -9.008 1.00 54.24 H new ATOM 0 HB3 LEU A 60 -8.342 20.929 -7.834 1.00 54.24 H new ATOM 0 HG LEU A 60 -7.779 23.058 -6.209 1.00 64.45 H new ATOM 0 HD11 LEU A 60 -9.270 24.895 -6.890 1.00 12.34 H new ATOM 0 HD12 LEU A 60 -7.941 24.658 -8.050 1.00 12.34 H new ATOM 0 HD13 LEU A 60 -9.575 24.068 -8.436 1.00 12.34 H new ATOM 0 HD21 LEU A 60 -10.168 22.983 -5.615 1.00 14.23 H new ATOM 0 HD22 LEU A 60 -10.507 22.082 -7.111 1.00 14.23 H new ATOM 0 HD23 LEU A 60 -9.494 21.352 -5.844 1.00 14.23 H new TER 970 LEU A 60