USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 49 GLN : amide:sc= -0.312 K(o=-7.2,f=-11) USER MOD Set 1.2: A 58 MET CE :methyl 174:sc= -3.54! (180deg=-3.84!) USER MOD Set 1.3: A 61 CYS SG : rot -37:sc= -3.33! USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0.226 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 140:sc= 0.661 (180deg=0.0264) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 0.162 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0379) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= -1.1 (180deg=-2.81!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.128 K(o=-0.13,f=-2) USER MOD Single : A 30 MET CE :methyl 172:sc= -0.96 (180deg=-1.12) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 38 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.071) USER MOD Single : A 70 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00119 K(o=-0.0012,f=-2.1) USER MOD Single : A 80 THR OG1 : rot 68:sc= 0.75 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000786) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.66 (180deg=-1.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 87 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.029) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0803 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.777 18.621 14.412 1.00 0.00 N ATOM 2 CA GLY A 1 0.545 18.397 13.678 1.00 0.00 C ATOM 3 C GLY A 1 0.761 17.587 12.415 1.00 0.00 C ATOM 4 O GLY A 1 1.502 17.999 11.524 1.00 0.00 O ATOM 0 H1 GLY A 1 1.576 19.179 15.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.190 17.706 14.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.450 19.139 13.811 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.168 17.880 14.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.101 19.358 13.418 1.00 0.00 H new ATOM 8 N SER A 2 0.112 16.429 12.339 1.00 0.00 N ATOM 9 CA SER A 2 0.241 15.555 11.179 1.00 0.00 C ATOM 10 C SER A 2 0.196 16.361 9.884 1.00 0.00 C ATOM 11 O SER A 2 -0.606 17.285 9.743 1.00 0.00 O ATOM 12 CB SER A 2 -0.871 14.505 11.179 1.00 0.00 C ATOM 13 OG SER A 2 -0.723 13.605 10.094 1.00 0.00 O ATOM 0 H SER A 2 -0.508 16.075 13.067 1.00 0.00 H new ATOM 0 HA SER A 2 1.206 15.051 11.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.854 13.953 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.841 14.998 11.117 1.00 0.00 H new ATOM 0 HG SER A 2 -1.445 12.943 10.117 1.00 0.00 H new ATOM 19 N SER A 3 1.062 16.004 8.942 1.00 0.00 N ATOM 20 CA SER A 3 1.124 16.695 7.659 1.00 0.00 C ATOM 21 C SER A 3 0.157 16.071 6.658 1.00 0.00 C ATOM 22 O SER A 3 0.551 15.260 5.821 1.00 0.00 O ATOM 23 CB SER A 3 2.549 16.655 7.103 1.00 0.00 C ATOM 24 OG SER A 3 3.477 17.169 8.042 1.00 0.00 O ATOM 0 H SER A 3 1.731 15.240 9.043 1.00 0.00 H new ATOM 0 HA SER A 3 0.833 17.733 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.815 15.629 6.849 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.600 17.235 6.182 1.00 0.00 H new ATOM 0 HG SER A 3 4.380 17.131 7.664 1.00 0.00 H new ATOM 30 N GLY A 4 -1.112 16.456 6.751 1.00 0.00 N ATOM 31 CA GLY A 4 -2.117 15.925 5.848 1.00 0.00 C ATOM 32 C GLY A 4 -1.937 14.442 5.589 1.00 0.00 C ATOM 33 O GLY A 4 -1.738 13.662 6.521 1.00 0.00 O ATOM 0 H GLY A 4 -1.462 17.126 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.107 16.100 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.072 16.464 4.902 1.00 0.00 H new ATOM 37 N SER A 5 -2.010 14.051 4.321 1.00 0.00 N ATOM 38 CA SER A 5 -1.860 12.651 3.943 1.00 0.00 C ATOM 39 C SER A 5 -0.806 12.493 2.850 1.00 0.00 C ATOM 40 O SER A 5 -1.116 12.551 1.661 1.00 0.00 O ATOM 41 CB SER A 5 -3.197 12.084 3.463 1.00 0.00 C ATOM 42 OG SER A 5 -3.946 11.559 4.545 1.00 0.00 O ATOM 0 H SER A 5 -2.172 14.684 3.538 1.00 0.00 H new ATOM 0 HA SER A 5 -1.533 12.096 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.770 12.867 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.020 11.301 2.725 1.00 0.00 H new ATOM 0 HG SER A 5 -4.797 11.204 4.212 1.00 0.00 H new ATOM 48 N SER A 6 0.441 12.294 3.264 1.00 0.00 N ATOM 49 CA SER A 6 1.542 12.131 2.322 1.00 0.00 C ATOM 50 C SER A 6 1.172 11.145 1.218 1.00 0.00 C ATOM 51 O SER A 6 0.673 10.054 1.488 1.00 0.00 O ATOM 52 CB SER A 6 2.798 11.651 3.051 1.00 0.00 C ATOM 53 OG SER A 6 2.630 10.332 3.541 1.00 0.00 O ATOM 0 H SER A 6 0.714 12.242 4.245 1.00 0.00 H new ATOM 0 HA SER A 6 1.744 13.100 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.651 11.685 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.022 12.324 3.879 1.00 0.00 H new ATOM 0 HG SER A 6 1.957 9.866 3.002 1.00 0.00 H new ATOM 59 N GLY A 7 1.421 11.539 -0.027 1.00 0.00 N ATOM 60 CA GLY A 7 1.108 10.680 -1.153 1.00 0.00 C ATOM 61 C GLY A 7 1.645 11.222 -2.463 1.00 0.00 C ATOM 62 O GLY A 7 2.259 12.288 -2.496 1.00 0.00 O ATOM 0 H GLY A 7 1.834 12.438 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.524 9.688 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.027 10.563 -1.228 1.00 0.00 H new ATOM 66 N MET A 8 1.415 10.486 -3.546 1.00 0.00 N ATOM 67 CA MET A 8 1.881 10.900 -4.864 1.00 0.00 C ATOM 68 C MET A 8 3.252 11.560 -4.773 1.00 0.00 C ATOM 69 O MET A 8 3.597 12.411 -5.593 1.00 0.00 O ATOM 70 CB MET A 8 0.879 11.863 -5.503 1.00 0.00 C ATOM 71 CG MET A 8 0.624 13.112 -4.675 1.00 0.00 C ATOM 72 SD MET A 8 -0.647 14.173 -5.391 1.00 0.00 S ATOM 73 CE MET A 8 -2.107 13.566 -4.549 1.00 0.00 C ATOM 0 H MET A 8 0.909 9.600 -3.536 1.00 0.00 H new ATOM 0 HA MET A 8 1.967 10.010 -5.488 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.247 12.157 -6.486 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.065 11.341 -5.659 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.324 12.821 -3.668 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.552 13.676 -4.580 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.980 14.125 -4.886 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.244 12.508 -4.775 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.987 13.695 -3.473 1.00 0.00 H new ATOM 83 N ALA A 9 4.031 11.163 -3.772 1.00 0.00 N ATOM 84 CA ALA A 9 5.365 11.716 -3.576 1.00 0.00 C ATOM 85 C ALA A 9 6.378 11.046 -4.498 1.00 0.00 C ATOM 86 O ALA A 9 6.114 9.980 -5.057 1.00 0.00 O ATOM 87 CB ALA A 9 5.790 11.565 -2.123 1.00 0.00 C ATOM 0 H ALA A 9 3.761 10.460 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 9 5.332 12.777 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.788 11.982 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.087 12.096 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.800 10.509 -1.855 1.00 0.00 H new ATOM 93 N LEU A 10 7.537 11.675 -4.653 1.00 0.00 N ATOM 94 CA LEU A 10 8.590 11.140 -5.508 1.00 0.00 C ATOM 95 C LEU A 10 8.987 9.734 -5.068 1.00 0.00 C ATOM 96 O LEU A 10 9.182 8.846 -5.898 1.00 0.00 O ATOM 97 CB LEU A 10 9.813 12.058 -5.482 1.00 0.00 C ATOM 98 CG LEU A 10 10.756 11.955 -6.680 1.00 0.00 C ATOM 99 CD1 LEU A 10 10.168 12.671 -7.886 1.00 0.00 C ATOM 100 CD2 LEU A 10 12.124 12.526 -6.334 1.00 0.00 C ATOM 0 H LEU A 10 7.772 12.557 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 10 8.204 11.088 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.467 13.089 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.383 11.845 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 10 10.877 10.901 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.854 12.587 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.213 12.217 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.016 13.723 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.782 12.444 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.021 13.575 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.550 11.969 -5.500 1.00 0.00 H new ATOM 112 N GLU A 11 9.102 9.540 -3.758 1.00 0.00 N ATOM 113 CA GLU A 11 9.474 8.241 -3.209 1.00 0.00 C ATOM 114 C GLU A 11 8.399 7.725 -2.257 1.00 0.00 C ATOM 115 O GLU A 11 8.694 7.320 -1.133 1.00 0.00 O ATOM 116 CB GLU A 11 10.815 8.336 -2.478 1.00 0.00 C ATOM 117 CG GLU A 11 10.775 9.225 -1.246 1.00 0.00 C ATOM 118 CD GLU A 11 11.147 10.663 -1.552 1.00 0.00 C ATOM 119 OE1 GLU A 11 10.273 11.412 -2.036 1.00 0.00 O ATOM 120 OE2 GLU A 11 12.312 11.039 -1.306 1.00 0.00 O ATOM 0 H GLU A 11 8.943 10.265 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 11 9.569 7.539 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.130 7.335 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.569 8.718 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.775 9.196 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.458 8.829 -0.494 1.00 0.00 H new ATOM 127 N GLN A 12 7.151 7.744 -2.716 1.00 0.00 N ATOM 128 CA GLN A 12 6.032 7.280 -1.905 1.00 0.00 C ATOM 129 C GLN A 12 6.308 5.889 -1.341 1.00 0.00 C ATOM 130 O GLN A 12 5.826 5.536 -0.265 1.00 0.00 O ATOM 131 CB GLN A 12 4.747 7.261 -2.734 1.00 0.00 C ATOM 132 CG GLN A 12 4.844 6.405 -3.987 1.00 0.00 C ATOM 133 CD GLN A 12 3.500 6.200 -4.658 1.00 0.00 C ATOM 134 OE1 GLN A 12 2.972 5.088 -4.689 1.00 0.00 O ATOM 135 NE2 GLN A 12 2.939 7.274 -5.201 1.00 0.00 N ATOM 0 H GLN A 12 6.890 8.076 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 12 5.908 7.972 -1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.930 6.892 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.494 8.282 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.530 6.875 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.268 5.435 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.412 8.176 -5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.035 7.197 -5.667 1.00 0.00 H new ATOM 144 N THR A 13 7.088 5.102 -2.077 1.00 0.00 N ATOM 145 CA THR A 13 7.427 3.750 -1.652 1.00 0.00 C ATOM 146 C THR A 13 8.104 3.756 -0.286 1.00 0.00 C ATOM 147 O THR A 13 7.709 3.019 0.618 1.00 0.00 O ATOM 148 CB THR A 13 8.353 3.057 -2.669 1.00 0.00 C ATOM 149 OG1 THR A 13 9.525 3.852 -2.885 1.00 0.00 O ATOM 150 CG2 THR A 13 7.634 2.834 -3.991 1.00 0.00 C ATOM 0 H THR A 13 7.496 5.378 -2.970 1.00 0.00 H new ATOM 0 HA THR A 13 6.491 3.195 -1.588 1.00 0.00 H new ATOM 0 HB THR A 13 8.642 2.088 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.110 3.404 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.308 2.343 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.759 2.205 -3.828 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.319 3.794 -4.400 1.00 0.00 H new ATOM 158 N LEU A 14 9.126 4.593 -0.143 1.00 0.00 N ATOM 159 CA LEU A 14 9.859 4.696 1.115 1.00 0.00 C ATOM 160 C LEU A 14 9.054 5.471 2.153 1.00 0.00 C ATOM 161 O LEU A 14 8.925 5.043 3.300 1.00 0.00 O ATOM 162 CB LEU A 14 11.209 5.378 0.886 1.00 0.00 C ATOM 163 CG LEU A 14 12.115 4.738 -0.166 1.00 0.00 C ATOM 164 CD1 LEU A 14 13.209 5.706 -0.589 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.720 3.447 0.365 1.00 0.00 C ATOM 0 H LEU A 14 9.466 5.209 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 14 10.027 3.688 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.026 6.413 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.747 5.401 1.834 1.00 0.00 H new ATOM 0 HG LEU A 14 11.510 4.500 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.844 5.233 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.757 6.604 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.811 5.976 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.362 3.005 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.310 3.661 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.922 2.748 0.617 1.00 0.00 H new ATOM 177 N LYS A 15 8.512 6.612 1.742 1.00 0.00 N ATOM 178 CA LYS A 15 7.716 7.446 2.634 1.00 0.00 C ATOM 179 C LYS A 15 6.779 6.594 3.484 1.00 0.00 C ATOM 180 O LYS A 15 6.708 6.757 4.702 1.00 0.00 O ATOM 181 CB LYS A 15 6.906 8.463 1.827 1.00 0.00 C ATOM 182 CG LYS A 15 7.745 9.594 1.256 1.00 0.00 C ATOM 183 CD LYS A 15 8.157 10.581 2.335 1.00 0.00 C ATOM 184 CE LYS A 15 7.022 11.532 2.684 1.00 0.00 C ATOM 185 NZ LYS A 15 6.830 12.575 1.639 1.00 0.00 N ATOM 0 H LYS A 15 8.610 6.981 0.796 1.00 0.00 H new ATOM 0 HA LYS A 15 8.398 7.978 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.402 7.947 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.129 8.884 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.634 9.183 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.179 10.114 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.465 10.037 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.021 11.153 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.099 10.966 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.231 12.011 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.156 13.289 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.742 13.030 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.458 12.135 0.773 1.00 0.00 H new ATOM 199 N LYS A 16 6.062 5.683 2.834 1.00 0.00 N ATOM 200 CA LYS A 16 5.132 4.802 3.530 1.00 0.00 C ATOM 201 C LYS A 16 5.881 3.758 4.351 1.00 0.00 C ATOM 202 O LYS A 16 6.923 3.256 3.931 1.00 0.00 O ATOM 203 CB LYS A 16 4.206 4.110 2.526 1.00 0.00 C ATOM 204 CG LYS A 16 2.991 3.461 3.167 1.00 0.00 C ATOM 205 CD LYS A 16 1.823 3.388 2.198 1.00 0.00 C ATOM 206 CE LYS A 16 1.852 2.102 1.386 1.00 0.00 C ATOM 207 NZ LYS A 16 0.504 1.744 0.866 1.00 0.00 N ATOM 0 H LYS A 16 6.107 5.536 1.826 1.00 0.00 H new ATOM 0 HA LYS A 16 4.534 5.410 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.871 4.841 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.771 3.350 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.249 2.457 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.698 4.028 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.886 3.449 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.853 4.245 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.545 2.215 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.230 1.289 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.409 0.709 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.226 2.137 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.385 2.136 -0.090 1.00 0.00 H new ATOM 221 N ASP A 17 5.343 3.436 5.522 1.00 0.00 N ATOM 222 CA ASP A 17 5.960 2.449 6.401 1.00 0.00 C ATOM 223 C ASP A 17 5.525 1.037 6.022 1.00 0.00 C ATOM 224 O ASP A 17 4.370 0.807 5.664 1.00 0.00 O ATOM 225 CB ASP A 17 5.595 2.734 7.859 1.00 0.00 C ATOM 226 CG ASP A 17 5.552 4.219 8.164 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.570 4.902 7.930 1.00 0.00 O ATOM 228 OD2 ASP A 17 4.500 4.697 8.639 1.00 0.00 O ATOM 0 H ASP A 17 4.481 3.844 5.885 1.00 0.00 H new ATOM 0 HA ASP A 17 7.041 2.521 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.624 2.292 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.321 2.252 8.514 1.00 0.00 H new ATOM 233 N TRP A 18 6.458 0.095 6.102 1.00 0.00 N ATOM 234 CA TRP A 18 6.171 -1.295 5.767 1.00 0.00 C ATOM 235 C TRP A 18 6.273 -2.186 7.000 1.00 0.00 C ATOM 236 O TRP A 18 5.415 -3.036 7.237 1.00 0.00 O ATOM 237 CB TRP A 18 7.133 -1.789 4.685 1.00 0.00 C ATOM 238 CG TRP A 18 7.181 -0.898 3.481 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.275 -0.246 2.987 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.088 -0.559 2.621 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.928 0.478 1.872 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.592 0.302 1.626 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.733 -0.900 2.593 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.787 0.825 0.618 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.936 -0.380 1.592 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.464 0.474 0.615 1.00 0.00 C ATOM 0 H TRP A 18 7.419 0.268 6.396 1.00 0.00 H new ATOM 0 HA TRP A 18 5.150 -1.347 5.388 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.134 -1.870 5.108 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.836 -2.791 4.375 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.267 -0.293 3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.562 1.053 1.318 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.316 -1.558 3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.192 1.485 -0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.887 -0.636 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.815 0.863 -0.155 1.00 0.00 H new ATOM 257 N TYR A 19 7.327 -1.985 7.784 1.00 0.00 N ATOM 258 CA TYR A 19 7.542 -2.771 8.992 1.00 0.00 C ATOM 259 C TYR A 19 6.339 -2.676 9.925 1.00 0.00 C ATOM 260 O TYR A 19 6.209 -3.454 10.871 1.00 0.00 O ATOM 261 CB TYR A 19 8.803 -2.297 9.717 1.00 0.00 C ATOM 262 CG TYR A 19 10.086 -2.770 9.072 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.353 -4.125 8.923 1.00 0.00 C ATOM 264 CD2 TYR A 19 11.031 -1.861 8.612 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.525 -4.561 8.335 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.205 -2.288 8.022 1.00 0.00 C ATOM 267 CZ TYR A 19 12.447 -3.639 7.886 1.00 0.00 C ATOM 268 OH TYR A 19 13.615 -4.070 7.299 1.00 0.00 O ATOM 0 H TYR A 19 8.046 -1.284 7.604 1.00 0.00 H new ATOM 0 HA TYR A 19 7.670 -3.813 8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.804 -1.208 9.752 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.773 -2.649 10.748 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.633 -4.850 9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.845 -0.802 8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.718 -5.618 8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.929 -1.568 7.669 1.00 0.00 H new ATOM 0 HH TYR A 19 14.155 -3.295 7.037 1.00 0.00 H new ATOM 278 N SER A 20 5.461 -1.716 9.652 1.00 0.00 N ATOM 279 CA SER A 20 4.269 -1.516 10.468 1.00 0.00 C ATOM 280 C SER A 20 3.058 -2.197 9.838 1.00 0.00 C ATOM 281 O SER A 20 2.196 -2.727 10.539 1.00 0.00 O ATOM 282 CB SER A 20 3.993 -0.021 10.645 1.00 0.00 C ATOM 283 OG SER A 20 3.250 0.223 11.827 1.00 0.00 O ATOM 0 H SER A 20 5.553 -1.065 8.872 1.00 0.00 H new ATOM 0 HA SER A 20 4.448 -1.964 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.936 0.524 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.444 0.356 9.782 1.00 0.00 H new ATOM 0 HG SER A 20 3.088 1.185 11.919 1.00 0.00 H new ATOM 289 N ILE A 21 3.002 -2.179 8.510 1.00 0.00 N ATOM 290 CA ILE A 21 1.898 -2.796 7.785 1.00 0.00 C ATOM 291 C ILE A 21 1.882 -4.307 7.988 1.00 0.00 C ATOM 292 O ILE A 21 0.820 -4.916 8.124 1.00 0.00 O ATOM 293 CB ILE A 21 1.976 -2.493 6.277 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.866 -0.987 6.031 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.881 -3.239 5.529 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.916 -0.609 4.567 1.00 0.00 C ATOM 0 H ILE A 21 3.707 -1.744 7.915 1.00 0.00 H new ATOM 0 HA ILE A 21 0.979 -2.369 8.187 1.00 0.00 H new ATOM 0 HB ILE A 21 2.941 -2.834 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.932 -0.624 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.676 -0.481 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.950 -3.014 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.001 -4.311 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.094 -2.926 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.833 0.473 4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.861 -0.941 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.090 -1.086 4.040 1.00 0.00 H new ATOM 308 N LEU A 22 3.067 -4.907 8.011 1.00 0.00 N ATOM 309 CA LEU A 22 3.191 -6.348 8.200 1.00 0.00 C ATOM 310 C LEU A 22 3.287 -6.697 9.682 1.00 0.00 C ATOM 311 O LEU A 22 3.522 -7.848 10.045 1.00 0.00 O ATOM 312 CB LEU A 22 4.422 -6.876 7.460 1.00 0.00 C ATOM 313 CG LEU A 22 4.520 -6.514 5.978 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.920 -6.789 5.452 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.485 -7.285 5.171 1.00 0.00 C ATOM 0 H LEU A 22 3.955 -4.418 7.901 1.00 0.00 H new ATOM 0 HA LEU A 22 2.298 -6.821 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.313 -6.502 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.437 -7.962 7.550 1.00 0.00 H new ATOM 0 HG LEU A 22 4.316 -5.449 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.970 -6.525 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.642 -6.192 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.153 -7.847 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.569 -7.015 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.658 -8.355 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.486 -7.038 5.530 1.00 0.00 H new ATOM 327 N GLY A 23 3.100 -5.693 10.534 1.00 0.00 N ATOM 328 CA GLY A 23 3.167 -5.914 11.967 1.00 0.00 C ATOM 329 C GLY A 23 4.476 -6.547 12.395 1.00 0.00 C ATOM 330 O GLY A 23 4.490 -7.469 13.211 1.00 0.00 O ATOM 0 H GLY A 23 2.903 -4.731 10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.040 -4.963 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.340 -6.555 12.272 1.00 0.00 H new ATOM 334 N ALA A 24 5.579 -6.053 11.842 1.00 0.00 N ATOM 335 CA ALA A 24 6.899 -6.577 12.173 1.00 0.00 C ATOM 336 C ALA A 24 7.811 -5.474 12.701 1.00 0.00 C ATOM 337 O ALA A 24 7.384 -4.332 12.872 1.00 0.00 O ATOM 338 CB ALA A 24 7.523 -7.242 10.954 1.00 0.00 C ATOM 0 H ALA A 24 5.585 -5.291 11.163 1.00 0.00 H new ATOM 0 HA ALA A 24 6.781 -7.322 12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.508 -7.629 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.887 -8.063 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.621 -6.511 10.151 1.00 0.00 H new ATOM 344 N ASP A 25 9.066 -5.823 12.957 1.00 0.00 N ATOM 345 CA ASP A 25 10.038 -4.863 13.466 1.00 0.00 C ATOM 346 C ASP A 25 11.159 -4.636 12.455 1.00 0.00 C ATOM 347 O ASP A 25 11.496 -5.513 11.659 1.00 0.00 O ATOM 348 CB ASP A 25 10.623 -5.350 14.793 1.00 0.00 C ATOM 349 CG ASP A 25 10.671 -6.862 14.884 1.00 0.00 C ATOM 350 OD1 ASP A 25 11.690 -7.449 14.463 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.690 -7.460 15.374 1.00 0.00 O ATOM 0 H ASP A 25 9.435 -6.764 12.820 1.00 0.00 H new ATOM 0 HA ASP A 25 9.524 -3.916 13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.630 -4.950 14.912 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.025 -4.958 15.616 1.00 0.00 H new ATOM 356 N PRO A 26 11.749 -3.432 12.486 1.00 0.00 N ATOM 357 CA PRO A 26 12.840 -3.062 11.579 1.00 0.00 C ATOM 358 C PRO A 26 14.131 -3.812 11.889 1.00 0.00 C ATOM 359 O PRO A 26 15.140 -3.639 11.205 1.00 0.00 O ATOM 360 CB PRO A 26 13.018 -1.563 11.831 1.00 0.00 C ATOM 361 CG PRO A 26 12.513 -1.350 13.217 1.00 0.00 C ATOM 362 CD PRO A 26 11.398 -2.340 13.408 1.00 0.00 C ATOM 0 HA PRO A 26 12.610 -3.309 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.063 -1.268 11.741 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.456 -0.971 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.305 -1.508 13.949 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.155 -0.329 13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.342 -2.688 14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.429 -1.905 13.165 1.00 0.00 H new ATOM 370 N SER A 27 14.092 -4.646 12.923 1.00 0.00 N ATOM 371 CA SER A 27 15.261 -5.419 13.325 1.00 0.00 C ATOM 372 C SER A 27 15.062 -6.901 13.021 1.00 0.00 C ATOM 373 O SER A 27 15.936 -7.724 13.293 1.00 0.00 O ATOM 374 CB SER A 27 15.538 -5.226 14.818 1.00 0.00 C ATOM 375 OG SER A 27 15.988 -3.910 15.086 1.00 0.00 O ATOM 0 H SER A 27 13.264 -4.804 13.497 1.00 0.00 H new ATOM 0 HA SER A 27 16.118 -5.060 12.754 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.631 -5.427 15.388 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.288 -5.945 15.148 1.00 0.00 H new ATOM 0 HG SER A 27 16.156 -3.811 16.046 1.00 0.00 H new ATOM 381 N ALA A 28 13.906 -7.233 12.456 1.00 0.00 N ATOM 382 CA ALA A 28 13.592 -8.614 12.113 1.00 0.00 C ATOM 383 C ALA A 28 14.507 -9.126 11.005 1.00 0.00 C ATOM 384 O ALA A 28 15.406 -8.419 10.554 1.00 0.00 O ATOM 385 CB ALA A 28 12.134 -8.736 11.694 1.00 0.00 C ATOM 0 H ALA A 28 13.171 -6.564 12.226 1.00 0.00 H new ATOM 0 HA ALA A 28 13.757 -9.228 12.998 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.914 -9.773 11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.492 -8.419 12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.951 -8.104 10.825 1.00 0.00 H new ATOM 391 N ASN A 29 14.271 -10.361 10.572 1.00 0.00 N ATOM 392 CA ASN A 29 15.075 -10.968 9.518 1.00 0.00 C ATOM 393 C ASN A 29 14.193 -11.456 8.373 1.00 0.00 C ATOM 394 O ASN A 29 13.036 -11.822 8.581 1.00 0.00 O ATOM 395 CB ASN A 29 15.893 -12.133 10.079 1.00 0.00 C ATOM 396 CG ASN A 29 16.792 -12.764 9.034 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.322 -12.079 8.159 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.968 -14.077 9.120 1.00 0.00 N ATOM 0 H ASN A 29 13.530 -10.960 10.935 1.00 0.00 H new ATOM 0 HA ASN A 29 15.754 -10.209 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.501 -11.779 10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.217 -12.890 10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.562 -14.557 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.509 -14.606 9.862 1.00 0.00 H new ATOM 405 N MET A 30 14.747 -11.458 7.166 1.00 0.00 N ATOM 406 CA MET A 30 14.011 -11.903 5.988 1.00 0.00 C ATOM 407 C MET A 30 13.105 -13.082 6.327 1.00 0.00 C ATOM 408 O MET A 30 11.970 -13.161 5.856 1.00 0.00 O ATOM 409 CB MET A 30 14.981 -12.295 4.872 1.00 0.00 C ATOM 410 CG MET A 30 14.291 -12.828 3.626 1.00 0.00 C ATOM 411 SD MET A 30 12.941 -11.768 3.073 1.00 0.00 S ATOM 412 CE MET A 30 13.834 -10.273 2.656 1.00 0.00 C ATOM 0 H MET A 30 15.703 -11.157 6.977 1.00 0.00 H new ATOM 0 HA MET A 30 13.389 -11.076 5.645 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.581 -11.426 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.668 -13.052 5.249 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.023 -12.926 2.824 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.904 -13.827 3.829 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.160 -9.571 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.230 -9.820 3.565 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.657 -10.516 1.983 1.00 0.00 H new ATOM 422 N SER A 31 13.612 -13.997 7.147 1.00 0.00 N ATOM 423 CA SER A 31 12.850 -15.174 7.546 1.00 0.00 C ATOM 424 C SER A 31 11.585 -14.773 8.299 1.00 0.00 C ATOM 425 O SER A 31 10.478 -15.164 7.929 1.00 0.00 O ATOM 426 CB SER A 31 13.708 -16.093 8.418 1.00 0.00 C ATOM 427 OG SER A 31 14.498 -16.959 7.623 1.00 0.00 O ATOM 0 H SER A 31 14.548 -13.945 7.548 1.00 0.00 H new ATOM 0 HA SER A 31 12.559 -15.711 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.354 -15.493 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.066 -16.681 9.074 1.00 0.00 H new ATOM 0 HG SER A 31 15.038 -17.535 8.204 1.00 0.00 H new ATOM 433 N ASP A 32 11.760 -13.990 9.359 1.00 0.00 N ATOM 434 CA ASP A 32 10.634 -13.534 10.166 1.00 0.00 C ATOM 435 C ASP A 32 9.619 -12.784 9.308 1.00 0.00 C ATOM 436 O ASP A 32 8.498 -13.250 9.104 1.00 0.00 O ATOM 437 CB ASP A 32 11.124 -12.635 11.302 1.00 0.00 C ATOM 438 CG ASP A 32 10.236 -12.716 12.528 1.00 0.00 C ATOM 439 OD1 ASP A 32 9.574 -13.758 12.714 1.00 0.00 O ATOM 440 OD2 ASP A 32 10.204 -11.736 13.302 1.00 0.00 O ATOM 0 H ASP A 32 12.670 -13.658 9.679 1.00 0.00 H new ATOM 0 HA ASP A 32 10.146 -14.410 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.141 -12.919 11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.164 -11.603 10.953 1.00 0.00 H new ATOM 445 N LEU A 33 10.020 -11.620 8.809 1.00 0.00 N ATOM 446 CA LEU A 33 9.146 -10.804 7.974 1.00 0.00 C ATOM 447 C LEU A 33 8.245 -11.680 7.109 1.00 0.00 C ATOM 448 O LEU A 33 7.021 -11.558 7.146 1.00 0.00 O ATOM 449 CB LEU A 33 9.976 -9.874 7.088 1.00 0.00 C ATOM 450 CG LEU A 33 10.963 -8.959 7.814 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.102 -8.560 6.888 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.251 -7.725 8.349 1.00 0.00 C ATOM 0 H LEU A 33 10.945 -11.220 8.968 1.00 0.00 H new ATOM 0 HA LEU A 33 8.516 -10.203 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.533 -10.484 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.293 -9.252 6.509 1.00 0.00 H new ATOM 0 HG LEU A 33 11.383 -9.506 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.794 -7.909 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.629 -9.454 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.700 -8.031 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.968 -7.085 8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.803 -7.176 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.471 -8.029 9.047 1.00 0.00 H new ATOM 464 N LYS A 34 8.860 -12.565 6.332 1.00 0.00 N ATOM 465 CA LYS A 34 8.116 -13.465 5.460 1.00 0.00 C ATOM 466 C LYS A 34 6.939 -14.092 6.201 1.00 0.00 C ATOM 467 O LYS A 34 5.783 -13.888 5.832 1.00 0.00 O ATOM 468 CB LYS A 34 9.036 -14.563 4.921 1.00 0.00 C ATOM 469 CG LYS A 34 8.362 -15.484 3.918 1.00 0.00 C ATOM 470 CD LYS A 34 9.369 -16.387 3.226 1.00 0.00 C ATOM 471 CE LYS A 34 10.045 -15.679 2.061 1.00 0.00 C ATOM 472 NZ LYS A 34 10.733 -16.637 1.153 1.00 0.00 N ATOM 0 H LYS A 34 9.873 -12.678 6.289 1.00 0.00 H new ATOM 0 HA LYS A 34 7.728 -12.882 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.903 -14.100 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.406 -15.158 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.615 -16.093 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.834 -14.888 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.123 -16.710 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.867 -17.285 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.301 -15.115 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.768 -14.959 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.181 -16.115 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.460 -17.157 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.039 -17.309 0.767 1.00 0.00 H new ATOM 486 N GLN A 35 7.243 -14.853 7.247 1.00 0.00 N ATOM 487 CA GLN A 35 6.209 -15.508 8.040 1.00 0.00 C ATOM 488 C GLN A 35 5.051 -14.556 8.319 1.00 0.00 C ATOM 489 O GLN A 35 3.884 -14.929 8.203 1.00 0.00 O ATOM 490 CB GLN A 35 6.794 -16.019 9.358 1.00 0.00 C ATOM 491 CG GLN A 35 8.015 -16.906 9.178 1.00 0.00 C ATOM 492 CD GLN A 35 8.241 -17.833 10.356 1.00 0.00 C ATOM 493 OE1 GLN A 35 7.559 -18.848 10.502 1.00 0.00 O ATOM 494 NE2 GLN A 35 9.203 -17.489 11.205 1.00 0.00 N ATOM 0 H GLN A 35 8.196 -15.031 7.565 1.00 0.00 H new ATOM 0 HA GLN A 35 5.829 -16.354 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.063 -15.166 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.026 -16.576 9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.898 -17.499 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.897 -16.280 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.744 -16.639 11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.401 -18.075 12.016 1.00 0.00 H new ATOM 503 N LYS A 36 5.382 -13.323 8.688 1.00 0.00 N ATOM 504 CA LYS A 36 4.371 -12.315 8.983 1.00 0.00 C ATOM 505 C LYS A 36 3.572 -11.963 7.732 1.00 0.00 C ATOM 506 O LYS A 36 2.347 -12.087 7.711 1.00 0.00 O ATOM 507 CB LYS A 36 5.027 -11.055 9.553 1.00 0.00 C ATOM 508 CG LYS A 36 5.223 -11.099 11.058 1.00 0.00 C ATOM 509 CD LYS A 36 6.567 -11.703 11.429 1.00 0.00 C ATOM 510 CE LYS A 36 7.007 -11.272 12.819 1.00 0.00 C ATOM 511 NZ LYS A 36 6.418 -12.134 13.881 1.00 0.00 N ATOM 0 H LYS A 36 6.343 -12.998 8.790 1.00 0.00 H new ATOM 0 HA LYS A 36 3.688 -12.729 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.995 -10.911 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.414 -10.190 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.152 -10.090 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.423 -11.683 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.502 -12.790 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.317 -11.400 10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.094 -11.309 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.713 -10.236 12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.743 -11.807 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.380 -12.079 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.719 -13.119 13.735 1.00 0.00 H new ATOM 525 N TYR A 37 4.272 -11.525 6.692 1.00 0.00 N ATOM 526 CA TYR A 37 3.628 -11.155 5.438 1.00 0.00 C ATOM 527 C TYR A 37 2.690 -12.259 4.960 1.00 0.00 C ATOM 528 O TYR A 37 1.519 -12.013 4.674 1.00 0.00 O ATOM 529 CB TYR A 37 4.680 -10.864 4.366 1.00 0.00 C ATOM 530 CG TYR A 37 4.129 -10.877 2.958 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.529 -9.747 2.415 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.208 -12.019 2.170 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.024 -9.755 1.130 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.707 -12.035 0.883 1.00 0.00 C ATOM 535 CZ TYR A 37 3.116 -10.901 0.367 1.00 0.00 C ATOM 536 OH TYR A 37 2.614 -10.913 -0.914 1.00 0.00 O ATOM 0 H TYR A 37 5.286 -11.417 6.693 1.00 0.00 H new ATOM 0 HA TYR A 37 3.039 -10.255 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.128 -9.890 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.478 -11.603 4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.457 -8.847 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.669 -12.909 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.559 -8.869 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.778 -12.931 0.284 1.00 0.00 H new ATOM 0 HH TYR A 37 2.760 -11.795 -1.314 1.00 0.00 H new ATOM 546 N GLN A 38 3.216 -13.477 4.877 1.00 0.00 N ATOM 547 CA GLN A 38 2.426 -14.621 4.435 1.00 0.00 C ATOM 548 C GLN A 38 1.110 -14.703 5.200 1.00 0.00 C ATOM 549 O GLN A 38 0.031 -14.648 4.609 1.00 0.00 O ATOM 550 CB GLN A 38 3.219 -15.916 4.618 1.00 0.00 C ATOM 551 CG GLN A 38 4.380 -16.062 3.648 1.00 0.00 C ATOM 552 CD GLN A 38 4.691 -17.510 3.323 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.892 -18.405 3.600 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.856 -17.747 2.733 1.00 0.00 N ATOM 0 H GLN A 38 4.184 -13.697 5.110 1.00 0.00 H new ATOM 0 HA GLN A 38 2.201 -14.488 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.602 -15.957 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.546 -16.765 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.148 -15.529 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.266 -15.591 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.487 -16.974 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.120 -18.702 2.491 1.00 0.00 H new ATOM 563 N LYS A 39 1.206 -14.836 6.519 1.00 0.00 N ATOM 564 CA LYS A 39 0.023 -14.925 7.367 1.00 0.00 C ATOM 565 C LYS A 39 -0.896 -13.727 7.147 1.00 0.00 C ATOM 566 O LYS A 39 -2.084 -13.777 7.467 1.00 0.00 O ATOM 567 CB LYS A 39 0.431 -15.005 8.840 1.00 0.00 C ATOM 568 CG LYS A 39 0.877 -13.674 9.420 1.00 0.00 C ATOM 569 CD LYS A 39 0.563 -13.579 10.904 1.00 0.00 C ATOM 570 CE LYS A 39 0.270 -12.146 11.322 1.00 0.00 C ATOM 571 NZ LYS A 39 0.580 -11.914 12.760 1.00 0.00 N ATOM 0 H LYS A 39 2.091 -14.885 7.024 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.520 -15.831 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.410 -15.382 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.240 -15.727 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.949 -13.549 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.382 -12.861 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.295 -14.209 11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.405 -13.962 11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.856 -11.462 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.780 -11.921 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.367 -10.926 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.002 -12.549 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.588 -12.104 12.933 1.00 0.00 H new ATOM 585 N LEU A 40 -0.339 -12.653 6.599 1.00 0.00 N ATOM 586 CA LEU A 40 -1.109 -11.443 6.334 1.00 0.00 C ATOM 587 C LEU A 40 -1.584 -11.405 4.885 1.00 0.00 C ATOM 588 O LEU A 40 -1.980 -10.354 4.379 1.00 0.00 O ATOM 589 CB LEU A 40 -0.267 -10.202 6.640 1.00 0.00 C ATOM 590 CG LEU A 40 0.133 -10.006 8.103 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.121 -8.858 8.236 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.097 -9.756 8.963 1.00 0.00 C ATOM 0 H LEU A 40 0.643 -12.595 6.329 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.985 -11.450 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.641 -10.246 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.822 -9.322 6.315 1.00 0.00 H new ATOM 0 HG LEU A 40 0.617 -10.918 8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.395 -8.733 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.014 -9.077 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.663 -7.940 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.794 -9.619 10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.609 -8.860 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.770 -10.610 8.892 1.00 0.00 H new ATOM 604 N ILE A 41 -1.542 -12.557 4.224 1.00 0.00 N ATOM 605 CA ILE A 41 -1.972 -12.655 2.835 1.00 0.00 C ATOM 606 C ILE A 41 -3.278 -13.432 2.717 1.00 0.00 C ATOM 607 O ILE A 41 -4.033 -13.258 1.759 1.00 0.00 O ATOM 608 CB ILE A 41 -0.901 -13.337 1.962 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.264 -12.379 1.704 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.509 -13.807 0.649 1.00 0.00 C ATOM 611 CD1 ILE A 41 -0.060 -11.290 0.706 1.00 0.00 C ATOM 0 H ILE A 41 -1.215 -13.435 4.628 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.125 -11.636 2.479 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.519 -14.208 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.562 -11.920 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.120 -12.949 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.740 -14.287 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.308 -14.520 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.915 -12.952 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.811 -10.648 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.329 -11.740 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.896 -10.695 1.075 1.00 0.00 H new ATOM 623 N LEU A 42 -3.541 -14.289 3.698 1.00 0.00 N ATOM 624 CA LEU A 42 -4.759 -15.093 3.706 1.00 0.00 C ATOM 625 C LEU A 42 -5.855 -14.411 4.518 1.00 0.00 C ATOM 626 O LEU A 42 -7.045 -14.628 4.280 1.00 0.00 O ATOM 627 CB LEU A 42 -4.473 -16.482 4.279 1.00 0.00 C ATOM 628 CG LEU A 42 -3.022 -16.957 4.195 1.00 0.00 C ATOM 629 CD1 LEU A 42 -2.895 -18.381 4.713 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.512 -16.861 2.764 1.00 0.00 C ATOM 0 H LEU A 42 -2.928 -14.445 4.498 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.105 -15.196 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.777 -16.491 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.102 -17.204 3.758 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.411 -16.308 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.855 -18.701 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.220 -18.420 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.519 -19.043 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.478 -17.203 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.127 -17.485 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.566 -15.826 2.427 1.00 0.00 H new ATOM 642 N LEU A 43 -5.449 -13.584 5.475 1.00 0.00 N ATOM 643 CA LEU A 43 -6.397 -12.868 6.321 1.00 0.00 C ATOM 644 C LEU A 43 -7.138 -11.799 5.524 1.00 0.00 C ATOM 645 O LEU A 43 -8.321 -11.547 5.755 1.00 0.00 O ATOM 646 CB LEU A 43 -5.671 -12.226 7.505 1.00 0.00 C ATOM 647 CG LEU A 43 -5.360 -13.151 8.682 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.247 -12.569 9.539 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.610 -13.388 9.518 1.00 0.00 C ATOM 0 H LEU A 43 -4.469 -13.393 5.684 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.126 -13.586 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.734 -11.802 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.276 -11.397 7.871 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.023 -14.109 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.040 -13.241 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.347 -12.451 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.555 -11.597 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.371 -14.048 10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.976 -12.436 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.380 -13.849 8.899 1.00 0.00 H new ATOM 661 N TYR A 44 -6.436 -11.175 4.585 1.00 0.00 N ATOM 662 CA TYR A 44 -7.027 -10.133 3.754 1.00 0.00 C ATOM 663 C TYR A 44 -7.075 -10.565 2.291 1.00 0.00 C ATOM 664 O TYR A 44 -6.960 -9.740 1.384 1.00 0.00 O ATOM 665 CB TYR A 44 -6.232 -8.833 3.888 1.00 0.00 C ATOM 666 CG TYR A 44 -6.088 -8.356 5.315 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.115 -7.662 5.943 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.924 -8.598 6.035 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.987 -7.223 7.247 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.789 -8.164 7.340 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.822 -7.477 7.941 1.00 0.00 C ATOM 672 OH TYR A 44 -5.691 -7.043 9.240 1.00 0.00 O ATOM 0 H TYR A 44 -5.457 -11.373 4.380 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.047 -9.964 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.240 -8.978 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.721 -8.055 3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.029 -7.462 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.112 -9.134 5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.794 -6.684 7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.879 -8.362 7.886 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.812 -7.304 9.585 1.00 0.00 H new ATOM 682 N HIS A 45 -7.246 -11.864 2.070 1.00 0.00 N ATOM 683 CA HIS A 45 -7.311 -12.407 0.718 1.00 0.00 C ATOM 684 C HIS A 45 -8.729 -12.315 0.163 1.00 0.00 C ATOM 685 O HIS A 45 -9.713 -12.544 0.867 1.00 0.00 O ATOM 686 CB HIS A 45 -6.840 -13.862 0.706 1.00 0.00 C ATOM 687 CG HIS A 45 -6.263 -14.294 -0.607 1.00 0.00 C ATOM 688 ND1 HIS A 45 -7.026 -14.822 -1.626 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.989 -14.273 -1.064 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.247 -15.109 -2.654 1.00 0.00 C ATOM 691 NE2 HIS A 45 -5.006 -14.785 -2.338 1.00 0.00 N ATOM 0 H HIS A 45 -7.342 -12.560 2.809 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.652 -11.814 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.091 -13.999 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.681 -14.510 0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.121 -13.920 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.570 -15.536 -3.592 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.192 -14.897 -2.943 1.00 0.00 H new ATOM 700 N PRO A 46 -8.839 -11.971 -1.129 1.00 0.00 N ATOM 701 CA PRO A 46 -10.132 -11.841 -1.806 1.00 0.00 C ATOM 702 C PRO A 46 -10.821 -13.187 -2.005 1.00 0.00 C ATOM 703 O PRO A 46 -12.019 -13.325 -1.756 1.00 0.00 O ATOM 704 CB PRO A 46 -9.764 -11.224 -3.158 1.00 0.00 C ATOM 705 CG PRO A 46 -8.349 -11.631 -3.387 1.00 0.00 C ATOM 706 CD PRO A 46 -7.708 -11.684 -2.028 1.00 0.00 C ATOM 0 HA PRO A 46 -10.837 -11.244 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.415 -11.591 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.866 -10.139 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.297 -12.601 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.837 -10.917 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.944 -12.460 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.223 -10.741 -1.775 1.00 0.00 H new ATOM 714 N ASP A 47 -10.057 -14.177 -2.454 1.00 0.00 N ATOM 715 CA ASP A 47 -10.594 -15.513 -2.684 1.00 0.00 C ATOM 716 C ASP A 47 -11.005 -16.168 -1.369 1.00 0.00 C ATOM 717 O ASP A 47 -12.078 -16.761 -1.267 1.00 0.00 O ATOM 718 CB ASP A 47 -9.561 -16.384 -3.401 1.00 0.00 C ATOM 719 CG ASP A 47 -10.158 -17.674 -3.929 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.666 -18.470 -3.112 1.00 0.00 O ATOM 721 OD2 ASP A 47 -10.117 -17.887 -5.158 1.00 0.00 O ATOM 0 H ASP A 47 -9.064 -14.079 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.479 -15.419 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.128 -15.822 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.748 -16.618 -2.714 1.00 0.00 H new ATOM 726 N LYS A 48 -10.143 -16.056 -0.364 1.00 0.00 N ATOM 727 CA LYS A 48 -10.415 -16.637 0.946 1.00 0.00 C ATOM 728 C LYS A 48 -11.744 -16.133 1.499 1.00 0.00 C ATOM 729 O LYS A 48 -12.297 -16.713 2.433 1.00 0.00 O ATOM 730 CB LYS A 48 -9.284 -16.299 1.921 1.00 0.00 C ATOM 731 CG LYS A 48 -7.932 -16.848 1.497 1.00 0.00 C ATOM 732 CD LYS A 48 -7.702 -18.247 2.044 1.00 0.00 C ATOM 733 CE LYS A 48 -6.496 -18.907 1.393 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.519 -20.387 1.557 1.00 0.00 N ATOM 0 H LYS A 48 -9.250 -15.568 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.476 -17.719 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.212 -15.216 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.534 -16.693 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.871 -16.867 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.142 -16.184 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.553 -18.197 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.589 -18.857 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.475 -18.659 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.582 -18.507 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.681 -20.800 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.513 -20.624 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.379 -20.772 1.116 1.00 0.00 H new ATOM 748 N GLN A 49 -12.251 -15.052 0.915 1.00 0.00 N ATOM 749 CA GLN A 49 -13.516 -14.472 1.350 1.00 0.00 C ATOM 750 C GLN A 49 -14.642 -15.497 1.267 1.00 0.00 C ATOM 751 O GLN A 49 -14.489 -16.553 0.654 1.00 0.00 O ATOM 752 CB GLN A 49 -13.860 -13.249 0.498 1.00 0.00 C ATOM 753 CG GLN A 49 -12.847 -12.122 0.614 1.00 0.00 C ATOM 754 CD GLN A 49 -12.812 -11.509 2.001 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.713 -10.764 2.386 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.768 -11.821 2.760 1.00 0.00 N ATOM 0 H GLN A 49 -11.806 -14.561 0.140 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.407 -14.163 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.934 -13.553 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.841 -12.876 0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.856 -12.502 0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.085 -11.348 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.044 -12.443 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.690 -11.439 3.703 1.00 0.00 H new ATOM 765 N SER A 50 -15.773 -15.178 1.888 1.00 0.00 N ATOM 766 CA SER A 50 -16.924 -16.073 1.888 1.00 0.00 C ATOM 767 C SER A 50 -18.223 -15.288 2.043 1.00 0.00 C ATOM 768 O SER A 50 -18.208 -14.070 2.216 1.00 0.00 O ATOM 769 CB SER A 50 -16.798 -17.100 3.014 1.00 0.00 C ATOM 770 OG SER A 50 -15.609 -17.860 2.881 1.00 0.00 O ATOM 0 H SER A 50 -15.917 -14.306 2.398 1.00 0.00 H new ATOM 0 HA SER A 50 -16.947 -16.595 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.801 -16.590 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.662 -17.765 3.002 1.00 0.00 H new ATOM 0 HG SER A 50 -15.551 -18.508 3.614 1.00 0.00 H new ATOM 776 N ALA A 51 -19.346 -15.996 1.979 1.00 0.00 N ATOM 777 CA ALA A 51 -20.654 -15.367 2.115 1.00 0.00 C ATOM 778 C ALA A 51 -20.908 -14.932 3.554 1.00 0.00 C ATOM 779 O ALA A 51 -21.928 -14.312 3.855 1.00 0.00 O ATOM 780 CB ALA A 51 -21.747 -16.318 1.648 1.00 0.00 C ATOM 0 H ALA A 51 -19.376 -17.005 1.834 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.669 -14.476 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.719 -15.836 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.583 -16.575 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.723 -17.225 2.253 1.00 0.00 H new ATOM 786 N ASP A 52 -19.974 -15.261 4.440 1.00 0.00 N ATOM 787 CA ASP A 52 -20.097 -14.904 5.848 1.00 0.00 C ATOM 788 C ASP A 52 -19.820 -13.418 6.058 1.00 0.00 C ATOM 789 O ASP A 52 -20.378 -12.794 6.961 1.00 0.00 O ATOM 790 CB ASP A 52 -19.134 -15.739 6.694 1.00 0.00 C ATOM 791 CG ASP A 52 -18.811 -15.082 8.022 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.744 -14.882 8.827 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.625 -14.768 8.256 1.00 0.00 O ATOM 0 H ASP A 52 -19.124 -15.774 4.208 1.00 0.00 H new ATOM 0 HA ASP A 52 -21.120 -15.113 6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.572 -16.721 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -18.211 -15.899 6.137 1.00 0.00 H new ATOM 798 N VAL A 53 -18.955 -12.858 5.218 1.00 0.00 N ATOM 799 CA VAL A 53 -18.605 -11.446 5.311 1.00 0.00 C ATOM 800 C VAL A 53 -19.466 -10.603 4.378 1.00 0.00 C ATOM 801 O VAL A 53 -19.752 -10.985 3.243 1.00 0.00 O ATOM 802 CB VAL A 53 -17.120 -11.213 4.972 1.00 0.00 C ATOM 803 CG1 VAL A 53 -16.242 -12.218 5.701 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.899 -11.290 3.470 1.00 0.00 C ATOM 0 H VAL A 53 -18.484 -13.361 4.466 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.787 -11.142 6.342 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.841 -10.214 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.197 -12.038 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.380 -12.109 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.519 -13.228 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.845 -11.123 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.194 -12.275 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.499 -10.527 2.974 1.00 0.00 H new ATOM 814 N PRO A 54 -19.891 -9.428 4.865 1.00 0.00 N ATOM 815 CA PRO A 54 -20.726 -8.505 4.090 1.00 0.00 C ATOM 816 C PRO A 54 -19.963 -7.863 2.937 1.00 0.00 C ATOM 817 O PRO A 54 -18.870 -8.302 2.583 1.00 0.00 O ATOM 818 CB PRO A 54 -21.133 -7.447 5.118 1.00 0.00 C ATOM 819 CG PRO A 54 -20.054 -7.481 6.145 1.00 0.00 C ATOM 820 CD PRO A 54 -19.590 -8.910 6.210 1.00 0.00 C ATOM 0 HA PRO A 54 -21.571 -9.012 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.213 -6.461 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -22.104 -7.675 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.234 -6.816 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.426 -7.147 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.526 -8.977 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -20.117 -9.469 6.983 1.00 0.00 H new ATOM 828 N ALA A 55 -20.547 -6.820 2.356 1.00 0.00 N ATOM 829 CA ALA A 55 -19.920 -6.115 1.244 1.00 0.00 C ATOM 830 C ALA A 55 -18.979 -5.026 1.746 1.00 0.00 C ATOM 831 O ALA A 55 -17.962 -4.734 1.118 1.00 0.00 O ATOM 832 CB ALA A 55 -20.982 -5.519 0.331 1.00 0.00 C ATOM 0 H ALA A 55 -21.453 -6.445 2.637 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.330 -6.834 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.500 -4.996 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.612 -6.316 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.596 -4.818 0.896 1.00 0.00 H new ATOM 838 N GLY A 56 -19.326 -4.427 2.881 1.00 0.00 N ATOM 839 CA GLY A 56 -18.501 -3.375 3.447 1.00 0.00 C ATOM 840 C GLY A 56 -17.102 -3.853 3.783 1.00 0.00 C ATOM 841 O GLY A 56 -16.114 -3.247 3.368 1.00 0.00 O ATOM 0 H GLY A 56 -20.163 -4.651 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.439 -2.547 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.977 -2.990 4.349 1.00 0.00 H new ATOM 845 N THR A 57 -17.017 -4.943 4.539 1.00 0.00 N ATOM 846 CA THR A 57 -15.729 -5.501 4.934 1.00 0.00 C ATOM 847 C THR A 57 -14.826 -5.708 3.724 1.00 0.00 C ATOM 848 O THR A 57 -13.672 -5.278 3.718 1.00 0.00 O ATOM 849 CB THR A 57 -15.900 -6.844 5.669 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.748 -6.673 6.810 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.552 -7.394 6.109 1.00 0.00 C ATOM 0 H THR A 57 -17.825 -5.457 4.890 1.00 0.00 H new ATOM 0 HA THR A 57 -15.267 -4.782 5.610 1.00 0.00 H new ATOM 0 HB THR A 57 -16.357 -7.555 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.853 -7.531 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.697 -8.343 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.920 -7.550 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.072 -6.684 6.782 1.00 0.00 H new ATOM 859 N MET A 58 -15.357 -6.368 2.700 1.00 0.00 N ATOM 860 CA MET A 58 -14.598 -6.630 1.483 1.00 0.00 C ATOM 861 C MET A 58 -13.760 -5.416 1.093 1.00 0.00 C ATOM 862 O MET A 58 -12.534 -5.495 1.021 1.00 0.00 O ATOM 863 CB MET A 58 -15.542 -7.002 0.338 1.00 0.00 C ATOM 864 CG MET A 58 -15.815 -8.494 0.235 1.00 0.00 C ATOM 865 SD MET A 58 -14.635 -9.344 -0.830 1.00 0.00 S ATOM 866 CE MET A 58 -13.084 -8.745 -0.164 1.00 0.00 C ATOM 0 H MET A 58 -16.310 -6.731 2.689 1.00 0.00 H new ATOM 0 HA MET A 58 -13.926 -7.466 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.487 -6.477 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.114 -6.654 -0.602 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.782 -8.935 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 58 -16.823 -8.649 -0.150 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.256 -9.263 -0.648 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.999 -7.674 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.052 -8.934 0.909 1.00 0.00 H new ATOM 876 N GLU A 59 -14.430 -4.296 0.842 1.00 0.00 N ATOM 877 CA GLU A 59 -13.746 -3.067 0.459 1.00 0.00 C ATOM 878 C GLU A 59 -12.533 -2.818 1.351 1.00 0.00 C ATOM 879 O GLU A 59 -11.447 -2.504 0.865 1.00 0.00 O ATOM 880 CB GLU A 59 -14.704 -1.876 0.539 1.00 0.00 C ATOM 881 CG GLU A 59 -14.087 -0.566 0.080 1.00 0.00 C ATOM 882 CD GLU A 59 -15.126 0.504 -0.194 1.00 0.00 C ATOM 883 OE1 GLU A 59 -15.489 1.234 0.753 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.576 0.612 -1.353 1.00 0.00 O ATOM 0 H GLU A 59 -15.445 -4.214 0.897 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.403 -3.179 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.583 -2.087 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.047 -1.765 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.395 -0.208 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.504 -0.741 -0.824 1.00 0.00 H new ATOM 891 N GLU A 60 -12.728 -2.961 2.658 1.00 0.00 N ATOM 892 CA GLU A 60 -11.650 -2.750 3.618 1.00 0.00 C ATOM 893 C GLU A 60 -10.538 -3.776 3.421 1.00 0.00 C ATOM 894 O GLU A 60 -9.357 -3.466 3.583 1.00 0.00 O ATOM 895 CB GLU A 60 -12.188 -2.833 5.048 1.00 0.00 C ATOM 896 CG GLU A 60 -12.900 -1.571 5.504 1.00 0.00 C ATOM 897 CD GLU A 60 -12.017 -0.341 5.425 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.006 -0.290 6.157 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.335 0.569 4.632 1.00 0.00 O ATOM 0 H GLU A 60 -13.621 -3.222 3.076 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.237 -1.755 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.877 -3.675 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.361 -3.039 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.787 -1.417 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.242 -1.702 6.530 1.00 0.00 H new ATOM 906 N CYS A 61 -10.924 -4.998 3.071 1.00 0.00 N ATOM 907 CA CYS A 61 -9.961 -6.071 2.853 1.00 0.00 C ATOM 908 C CYS A 61 -8.968 -5.697 1.757 1.00 0.00 C ATOM 909 O CYS A 61 -7.762 -5.887 1.907 1.00 0.00 O ATOM 910 CB CYS A 61 -10.684 -7.367 2.482 1.00 0.00 C ATOM 911 SG CYS A 61 -9.590 -8.794 2.292 1.00 0.00 S ATOM 0 H CYS A 61 -11.897 -5.270 2.932 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.410 -6.224 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.424 -7.590 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.228 -7.213 1.550 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.475 -8.416 1.740 1.00 0.00 H new ATOM 917 N MET A 62 -9.486 -5.165 0.654 1.00 0.00 N ATOM 918 CA MET A 62 -8.645 -4.764 -0.467 1.00 0.00 C ATOM 919 C MET A 62 -7.601 -3.742 -0.027 1.00 0.00 C ATOM 920 O MET A 62 -6.400 -3.971 -0.163 1.00 0.00 O ATOM 921 CB MET A 62 -9.502 -4.182 -1.593 1.00 0.00 C ATOM 922 CG MET A 62 -8.802 -4.162 -2.942 1.00 0.00 C ATOM 923 SD MET A 62 -8.962 -5.723 -3.830 1.00 0.00 S ATOM 924 CE MET A 62 -7.945 -5.401 -5.268 1.00 0.00 C ATOM 0 H MET A 62 -10.483 -5.002 0.513 1.00 0.00 H new ATOM 0 HA MET A 62 -8.127 -5.650 -0.835 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.420 -4.764 -1.678 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.793 -3.165 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.217 -3.358 -3.550 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.745 -3.938 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.944 -6.277 -5.916 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.346 -4.547 -5.813 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.925 -5.183 -4.951 1.00 0.00 H new ATOM 934 N GLN A 63 -8.069 -2.615 0.500 1.00 0.00 N ATOM 935 CA GLN A 63 -7.175 -1.559 0.959 1.00 0.00 C ATOM 936 C GLN A 63 -5.986 -2.142 1.716 1.00 0.00 C ATOM 937 O GLN A 63 -4.851 -1.693 1.553 1.00 0.00 O ATOM 938 CB GLN A 63 -7.931 -0.575 1.854 1.00 0.00 C ATOM 939 CG GLN A 63 -8.945 0.274 1.105 1.00 0.00 C ATOM 940 CD GLN A 63 -8.294 1.237 0.131 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.925 2.353 0.497 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.149 0.809 -1.118 1.00 0.00 N ATOM 0 H GLN A 63 -9.061 -2.410 0.620 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.800 -1.029 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.444 -1.131 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.213 0.081 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.629 -0.378 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.542 0.837 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.469 -0.124 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.717 1.413 -1.817 1.00 0.00 H new ATOM 951 N LYS A 64 -6.253 -3.146 2.544 1.00 0.00 N ATOM 952 CA LYS A 64 -5.206 -3.793 3.326 1.00 0.00 C ATOM 953 C LYS A 64 -4.321 -4.661 2.438 1.00 0.00 C ATOM 954 O LYS A 64 -3.130 -4.393 2.279 1.00 0.00 O ATOM 955 CB LYS A 64 -5.823 -4.645 4.438 1.00 0.00 C ATOM 956 CG LYS A 64 -6.376 -3.829 5.593 1.00 0.00 C ATOM 957 CD LYS A 64 -5.316 -3.570 6.651 1.00 0.00 C ATOM 958 CE LYS A 64 -5.937 -3.105 7.960 1.00 0.00 C ATOM 959 NZ LYS A 64 -6.452 -4.246 8.766 1.00 0.00 N ATOM 0 H LYS A 64 -7.187 -3.530 2.691 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.589 -3.014 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.624 -5.252 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.068 -5.333 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.757 -2.879 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.218 -4.356 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.742 -4.480 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.617 -2.815 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.194 -2.557 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.752 -2.412 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.238 -4.086 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.481 -4.324 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.997 -5.127 8.451 1.00 0.00 H new ATOM 973 N PHE A 65 -4.911 -5.701 1.859 1.00 0.00 N ATOM 974 CA PHE A 65 -4.176 -6.609 0.985 1.00 0.00 C ATOM 975 C PHE A 65 -3.211 -5.838 0.089 1.00 0.00 C ATOM 976 O PHE A 65 -2.068 -6.250 -0.109 1.00 0.00 O ATOM 977 CB PHE A 65 -5.147 -7.423 0.128 1.00 0.00 C ATOM 978 CG PHE A 65 -4.469 -8.448 -0.736 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.140 -9.694 -0.228 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.161 -8.165 -2.057 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.516 -10.639 -1.020 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.537 -9.106 -2.855 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.214 -10.344 -2.335 1.00 0.00 C ATOM 0 H PHE A 65 -5.896 -5.937 1.979 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.598 -7.289 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.862 -7.925 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.716 -6.744 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.374 -9.930 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.411 -7.198 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.265 -11.607 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.303 -8.873 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.726 -11.081 -2.956 1.00 0.00 H new ATOM 993 N ILE A 66 -3.681 -4.719 -0.451 1.00 0.00 N ATOM 994 CA ILE A 66 -2.861 -3.890 -1.326 1.00 0.00 C ATOM 995 C ILE A 66 -1.582 -3.448 -0.624 1.00 0.00 C ATOM 996 O ILE A 66 -0.480 -3.646 -1.136 1.00 0.00 O ATOM 997 CB ILE A 66 -3.628 -2.644 -1.804 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.766 -3.048 -2.744 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.683 -1.672 -2.494 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.753 -1.933 -3.011 1.00 0.00 C ATOM 0 H ILE A 66 -4.625 -4.365 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.605 -4.502 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.059 -2.146 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.343 -3.382 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.297 -3.897 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.241 -0.796 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.905 -1.363 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.225 -2.159 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.532 -2.290 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.204 -1.614 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.235 -1.091 -3.470 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.736 -2.849 0.553 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.593 -2.379 1.326 1.00 0.00 C ATOM 1014 C GLU A 67 0.367 -3.526 1.630 1.00 0.00 C ATOM 1015 O GLU A 67 1.574 -3.412 1.416 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.062 -1.733 2.632 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.635 -0.338 2.449 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.472 0.109 3.632 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.511 -0.530 3.897 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.087 1.097 4.292 1.00 0.00 O ATOM 0 H GLU A 67 -2.641 -2.678 0.991 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.066 -1.634 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.818 -2.370 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.222 -1.684 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.819 0.369 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.247 -0.316 1.547 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.179 -4.629 2.129 1.00 0.00 N ATOM 1028 CA ILE A 68 0.628 -5.797 2.462 1.00 0.00 C ATOM 1029 C ILE A 68 1.412 -6.287 1.249 1.00 0.00 C ATOM 1030 O ILE A 68 2.600 -6.596 1.349 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.243 -6.950 2.996 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.086 -6.474 4.181 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.629 -8.130 3.398 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.375 -7.247 4.354 1.00 0.00 C ATOM 0 H ILE A 68 -1.176 -4.739 2.312 1.00 0.00 H new ATOM 0 HA ILE A 68 1.324 -5.488 3.241 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.916 -7.275 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.496 -6.558 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.320 -5.418 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.001 -8.937 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.189 -8.480 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.324 -7.820 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.921 -6.856 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.985 -7.142 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.148 -8.301 4.518 1.00 0.00 H new ATOM 1046 N ASP A 69 0.741 -6.353 0.105 1.00 0.00 N ATOM 1047 CA ASP A 69 1.375 -6.802 -1.129 1.00 0.00 C ATOM 1048 C ASP A 69 2.502 -5.857 -1.536 1.00 0.00 C ATOM 1049 O ASP A 69 3.305 -6.176 -2.412 1.00 0.00 O ATOM 1050 CB ASP A 69 0.342 -6.898 -2.253 1.00 0.00 C ATOM 1051 CG ASP A 69 0.762 -7.863 -3.344 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.903 -7.741 -3.838 1.00 0.00 O ATOM 1053 OD2 ASP A 69 -0.050 -8.741 -3.704 1.00 0.00 O ATOM 0 H ASP A 69 -0.242 -6.101 0.006 1.00 0.00 H new ATOM 0 HA ASP A 69 1.800 -7.790 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.614 -7.217 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.187 -5.910 -2.686 1.00 0.00 H new ATOM 1058 N GLN A 70 2.553 -4.694 -0.894 1.00 0.00 N ATOM 1059 CA GLN A 70 3.580 -3.703 -1.191 1.00 0.00 C ATOM 1060 C GLN A 70 4.726 -3.788 -0.188 1.00 0.00 C ATOM 1061 O GLN A 70 5.897 -3.756 -0.564 1.00 0.00 O ATOM 1062 CB GLN A 70 2.980 -2.296 -1.179 1.00 0.00 C ATOM 1063 CG GLN A 70 2.189 -1.962 -2.433 1.00 0.00 C ATOM 1064 CD GLN A 70 1.188 -0.844 -2.212 1.00 0.00 C ATOM 1065 OE1 GLN A 70 0.168 -1.031 -1.549 1.00 0.00 O ATOM 1066 NE2 GLN A 70 1.477 0.327 -2.767 1.00 0.00 N ATOM 0 H GLN A 70 1.896 -4.415 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 70 3.975 -3.914 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.329 -2.195 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.783 -1.568 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.878 -1.675 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.663 -2.853 -2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.334 0.437 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.842 1.117 -2.652 1.00 0.00 H new ATOM 1075 N ALA A 71 4.379 -3.898 1.090 1.00 0.00 N ATOM 1076 CA ALA A 71 5.378 -3.989 2.148 1.00 0.00 C ATOM 1077 C ALA A 71 6.451 -5.015 1.801 1.00 0.00 C ATOM 1078 O ALA A 71 7.596 -4.902 2.240 1.00 0.00 O ATOM 1079 CB ALA A 71 4.715 -4.342 3.471 1.00 0.00 C ATOM 0 H ALA A 71 3.414 -3.926 1.418 1.00 0.00 H new ATOM 0 HA ALA A 71 5.860 -3.016 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.473 -4.407 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.990 -3.571 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.207 -5.302 3.379 1.00 0.00 H new ATOM 1085 N TRP A 72 6.074 -6.016 1.014 1.00 0.00 N ATOM 1086 CA TRP A 72 7.005 -7.063 0.609 1.00 0.00 C ATOM 1087 C TRP A 72 7.854 -6.609 -0.573 1.00 0.00 C ATOM 1088 O TRP A 72 8.981 -7.072 -0.756 1.00 0.00 O ATOM 1089 CB TRP A 72 6.244 -8.339 0.246 1.00 0.00 C ATOM 1090 CG TRP A 72 7.119 -9.554 0.178 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.295 -10.378 -0.896 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.935 -10.082 1.229 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.172 -11.387 -0.577 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.580 -11.227 0.721 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.187 -9.698 2.549 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.456 -11.990 1.488 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.057 -10.456 3.309 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.684 -11.591 2.777 1.00 0.00 C ATOM 0 H TRP A 72 5.130 -6.125 0.643 1.00 0.00 H new ATOM 0 HA TRP A 72 7.667 -7.270 1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.458 -8.507 0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.753 -8.199 -0.717 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.815 -10.255 -1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.471 -12.134 -1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.710 -8.824 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.939 -12.866 1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.257 -10.169 4.331 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.360 -12.162 3.396 1.00 0.00 H new ATOM 1109 N LYS A 73 7.308 -5.702 -1.375 1.00 0.00 N ATOM 1110 CA LYS A 73 8.016 -5.184 -2.540 1.00 0.00 C ATOM 1111 C LYS A 73 9.363 -4.592 -2.139 1.00 0.00 C ATOM 1112 O LYS A 73 10.301 -4.564 -2.936 1.00 0.00 O ATOM 1113 CB LYS A 73 7.169 -4.122 -3.246 1.00 0.00 C ATOM 1114 CG LYS A 73 5.841 -4.647 -3.762 1.00 0.00 C ATOM 1115 CD LYS A 73 5.978 -5.235 -5.156 1.00 0.00 C ATOM 1116 CE LYS A 73 6.781 -6.526 -5.140 1.00 0.00 C ATOM 1117 NZ LYS A 73 6.457 -7.396 -6.305 1.00 0.00 N ATOM 0 H LYS A 73 6.376 -5.310 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 73 8.193 -6.013 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.981 -3.301 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.737 -3.712 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.460 -5.408 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.110 -3.838 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.988 -5.426 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.463 -4.512 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.845 -6.292 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.580 -7.067 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.025 -8.266 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.446 -7.641 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.673 -6.889 -7.187 1.00 0.00 H new ATOM 1131 N ILE A 74 9.452 -4.120 -0.900 1.00 0.00 N ATOM 1132 CA ILE A 74 10.686 -3.532 -0.394 1.00 0.00 C ATOM 1133 C ILE A 74 11.326 -4.423 0.665 1.00 0.00 C ATOM 1134 O ILE A 74 12.549 -4.452 0.811 1.00 0.00 O ATOM 1135 CB ILE A 74 10.438 -2.136 0.208 1.00 0.00 C ATOM 1136 CG1 ILE A 74 10.155 -1.121 -0.902 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.633 -1.698 1.041 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.773 -1.252 -1.503 1.00 0.00 C ATOM 0 H ILE A 74 8.684 -4.133 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 74 11.363 -3.438 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 74 9.565 -2.187 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.274 -0.114 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.898 -1.240 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.442 -0.710 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.793 -2.410 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.521 -1.660 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.643 -0.501 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.656 -2.246 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.023 -1.103 -0.726 1.00 0.00 H new ATOM 1150 N LEU A 75 10.493 -5.149 1.401 1.00 0.00 N ATOM 1151 CA LEU A 75 10.977 -6.044 2.446 1.00 0.00 C ATOM 1152 C LEU A 75 11.039 -7.484 1.945 1.00 0.00 C ATOM 1153 O LEU A 75 10.930 -8.429 2.726 1.00 0.00 O ATOM 1154 CB LEU A 75 10.073 -5.959 3.677 1.00 0.00 C ATOM 1155 CG LEU A 75 9.942 -4.578 4.320 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.096 -4.654 5.581 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.316 -4.002 4.631 1.00 0.00 C ATOM 0 H LEU A 75 9.479 -5.136 1.294 1.00 0.00 H new ATOM 0 HA LEU A 75 11.984 -5.731 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.077 -6.303 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.450 -6.653 4.428 1.00 0.00 H new ATOM 0 HG LEU A 75 9.444 -3.915 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.014 -3.662 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.101 -5.023 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.565 -5.332 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.203 -3.019 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.841 -4.664 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.889 -3.910 3.708 1.00 0.00 H new ATOM 1169 N GLY A 76 11.218 -7.643 0.637 1.00 0.00 N ATOM 1170 CA GLY A 76 11.294 -8.970 0.055 1.00 0.00 C ATOM 1171 C GLY A 76 12.633 -9.239 -0.601 1.00 0.00 C ATOM 1172 O GLY A 76 13.222 -10.302 -0.412 1.00 0.00 O ATOM 0 H GLY A 76 11.312 -6.877 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.117 -9.715 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.501 -9.085 -0.684 1.00 0.00 H new ATOM 1176 N ASN A 77 13.115 -8.273 -1.377 1.00 0.00 N ATOM 1177 CA ASN A 77 14.393 -8.413 -2.066 1.00 0.00 C ATOM 1178 C ASN A 77 15.545 -7.961 -1.173 1.00 0.00 C ATOM 1179 O ASN A 77 15.503 -6.877 -0.592 1.00 0.00 O ATOM 1180 CB ASN A 77 14.389 -7.599 -3.362 1.00 0.00 C ATOM 1181 CG ASN A 77 15.551 -7.953 -4.270 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.261 -8.931 -4.036 1.00 0.00 O ATOM 1183 ND2 ASN A 77 15.749 -7.156 -5.314 1.00 0.00 N ATOM 0 H ASN A 77 12.640 -7.386 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 77 14.534 -9.467 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.452 -7.770 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.430 -6.537 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.515 -7.344 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.135 -6.356 -5.469 1.00 0.00 H new ATOM 1190 N GLU A 78 16.570 -8.800 -1.069 1.00 0.00 N ATOM 1191 CA GLU A 78 17.733 -8.486 -0.246 1.00 0.00 C ATOM 1192 C GLU A 78 18.249 -7.082 -0.546 1.00 0.00 C ATOM 1193 O GLU A 78 18.907 -6.461 0.287 1.00 0.00 O ATOM 1194 CB GLU A 78 18.844 -9.511 -0.482 1.00 0.00 C ATOM 1195 CG GLU A 78 18.698 -10.771 0.355 1.00 0.00 C ATOM 1196 CD GLU A 78 20.017 -11.492 0.559 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.782 -11.615 -0.421 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.283 -11.933 1.696 1.00 0.00 O ATOM 0 H GLU A 78 16.619 -9.702 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 78 17.428 -8.526 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.856 -9.785 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.806 -9.048 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.276 -10.511 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.991 -11.445 -0.129 1.00 0.00 H new ATOM 1205 N GLU A 79 17.945 -6.589 -1.743 1.00 0.00 N ATOM 1206 CA GLU A 79 18.379 -5.259 -2.154 1.00 0.00 C ATOM 1207 C GLU A 79 17.472 -4.184 -1.563 1.00 0.00 C ATOM 1208 O GLU A 79 17.877 -3.431 -0.677 1.00 0.00 O ATOM 1209 CB GLU A 79 18.390 -5.151 -3.680 1.00 0.00 C ATOM 1210 CG GLU A 79 18.750 -3.765 -4.189 1.00 0.00 C ATOM 1211 CD GLU A 79 20.142 -3.333 -3.770 1.00 0.00 C ATOM 1212 OE1 GLU A 79 20.419 -3.321 -2.553 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.954 -3.007 -4.661 1.00 0.00 O ATOM 0 H GLU A 79 17.400 -7.091 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 79 19.390 -5.103 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.101 -5.873 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.407 -5.425 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.682 -3.752 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.022 -3.045 -3.816 1.00 0.00 H new ATOM 1220 N THR A 80 16.240 -4.118 -2.061 1.00 0.00 N ATOM 1221 CA THR A 80 15.275 -3.135 -1.585 1.00 0.00 C ATOM 1222 C THR A 80 15.210 -3.121 -0.062 1.00 0.00 C ATOM 1223 O THR A 80 15.021 -2.071 0.552 1.00 0.00 O ATOM 1224 CB THR A 80 13.868 -3.413 -2.145 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.406 -4.692 -1.698 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.873 -3.373 -3.666 1.00 0.00 C ATOM 0 H THR A 80 15.888 -4.734 -2.794 1.00 0.00 H new ATOM 0 HA THR A 80 15.614 -2.162 -1.940 1.00 0.00 H new ATOM 0 HB THR A 80 13.196 -2.637 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.254 -4.665 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.868 -3.572 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.196 -2.388 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.558 -4.130 -4.048 1.00 0.00 H new ATOM 1234 N LYS A 81 15.369 -4.293 0.543 1.00 0.00 N ATOM 1235 CA LYS A 81 15.330 -4.417 1.995 1.00 0.00 C ATOM 1236 C LYS A 81 16.543 -3.745 2.631 1.00 0.00 C ATOM 1237 O LYS A 81 16.453 -3.183 3.723 1.00 0.00 O ATOM 1238 CB LYS A 81 15.279 -5.891 2.401 1.00 0.00 C ATOM 1239 CG LYS A 81 15.437 -6.117 3.895 1.00 0.00 C ATOM 1240 CD LYS A 81 15.936 -7.520 4.197 1.00 0.00 C ATOM 1241 CE LYS A 81 15.670 -7.906 5.644 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.649 -8.914 6.138 1.00 0.00 N ATOM 0 H LYS A 81 15.526 -5.172 0.049 1.00 0.00 H new ATOM 0 HA LYS A 81 14.430 -3.917 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.329 -6.316 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.066 -6.431 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 81 16.135 -5.386 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.480 -5.955 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.446 -8.232 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.005 -7.579 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.717 -7.016 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.660 -8.306 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.424 -9.164 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.599 -9.767 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.609 -8.517 6.093 1.00 0.00 H new ATOM 1256 N LYS A 82 17.677 -3.806 1.941 1.00 0.00 N ATOM 1257 CA LYS A 82 18.908 -3.202 2.436 1.00 0.00 C ATOM 1258 C LYS A 82 18.848 -1.681 2.331 1.00 0.00 C ATOM 1259 O LYS A 82 19.388 -0.969 3.177 1.00 0.00 O ATOM 1260 CB LYS A 82 20.111 -3.731 1.651 1.00 0.00 C ATOM 1261 CG LYS A 82 21.388 -2.946 1.895 1.00 0.00 C ATOM 1262 CD LYS A 82 22.415 -3.199 0.804 1.00 0.00 C ATOM 1263 CE LYS A 82 23.613 -2.271 0.940 1.00 0.00 C ATOM 1264 NZ LYS A 82 24.671 -2.856 1.810 1.00 0.00 N ATOM 0 H LYS A 82 17.769 -4.268 1.036 1.00 0.00 H new ATOM 0 HA LYS A 82 19.020 -3.472 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.279 -4.774 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.878 -3.708 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.159 -1.881 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.807 -3.223 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.749 -4.235 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.952 -3.057 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 82 24.027 -2.065 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.288 -1.317 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.470 -2.194 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.283 -3.029 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.999 -3.754 1.401 1.00 0.00 H new ATOM 1278 N LYS A 83 18.186 -1.190 1.289 1.00 0.00 N ATOM 1279 CA LYS A 83 18.052 0.246 1.074 1.00 0.00 C ATOM 1280 C LYS A 83 17.108 0.863 2.101 1.00 0.00 C ATOM 1281 O LYS A 83 17.486 1.776 2.836 1.00 0.00 O ATOM 1282 CB LYS A 83 17.539 0.525 -0.340 1.00 0.00 C ATOM 1283 CG LYS A 83 18.097 -0.422 -1.388 1.00 0.00 C ATOM 1284 CD LYS A 83 18.024 0.181 -2.781 1.00 0.00 C ATOM 1285 CE LYS A 83 16.692 -0.123 -3.450 1.00 0.00 C ATOM 1286 NZ LYS A 83 15.549 0.478 -2.708 1.00 0.00 N ATOM 0 H LYS A 83 17.733 -1.766 0.579 1.00 0.00 H new ATOM 0 HA LYS A 83 19.036 0.700 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.451 0.456 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.794 1.548 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.133 -0.662 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.540 -1.359 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.164 1.260 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.837 -0.211 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.703 0.258 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.556 -1.203 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.753 0.628 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.255 -0.164 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.840 1.390 -2.301 1.00 0.00 H new ATOM 1300 N TYR A 84 15.880 0.360 2.146 1.00 0.00 N ATOM 1301 CA TYR A 84 14.881 0.863 3.082 1.00 0.00 C ATOM 1302 C TYR A 84 15.474 1.021 4.478 1.00 0.00 C ATOM 1303 O TYR A 84 15.384 2.087 5.086 1.00 0.00 O ATOM 1304 CB TYR A 84 13.677 -0.079 3.130 1.00 0.00 C ATOM 1305 CG TYR A 84 12.502 0.480 3.900 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.860 1.639 3.482 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.034 -0.150 5.047 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.786 2.154 4.183 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.961 0.356 5.753 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.340 1.509 5.318 1.00 0.00 C ATOM 1311 OH TYR A 84 9.272 2.017 6.020 1.00 0.00 O ATOM 0 H TYR A 84 15.552 -0.396 1.545 1.00 0.00 H new ATOM 0 HA TYR A 84 14.553 1.842 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.360 -0.302 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.982 -1.022 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.206 2.146 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.518 -1.051 5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.299 3.056 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.609 -0.148 6.641 1.00 0.00 H new ATOM 0 HH TYR A 84 9.085 1.443 6.792 1.00 0.00 H new ATOM 1321 N ASP A 85 16.081 -0.049 4.980 1.00 0.00 N ATOM 1322 CA ASP A 85 16.691 -0.031 6.305 1.00 0.00 C ATOM 1323 C ASP A 85 17.581 1.196 6.476 1.00 0.00 C ATOM 1324 O ASP A 85 17.545 1.863 7.511 1.00 0.00 O ATOM 1325 CB ASP A 85 17.508 -1.304 6.531 1.00 0.00 C ATOM 1326 CG ASP A 85 17.594 -1.684 7.996 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.597 -2.211 8.532 1.00 0.00 O ATOM 1328 OD2 ASP A 85 18.659 -1.453 8.607 1.00 0.00 O ATOM 0 H ASP A 85 16.164 -0.940 4.490 1.00 0.00 H new ATOM 0 HA ASP A 85 15.892 0.015 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.059 -2.125 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.514 -1.162 6.136 1.00 0.00 H new ATOM 1333 N LEU A 86 18.380 1.488 5.456 1.00 0.00 N ATOM 1334 CA LEU A 86 19.281 2.635 5.493 1.00 0.00 C ATOM 1335 C LEU A 86 18.497 3.942 5.554 1.00 0.00 C ATOM 1336 O LEU A 86 18.751 4.789 6.410 1.00 0.00 O ATOM 1337 CB LEU A 86 20.194 2.631 4.266 1.00 0.00 C ATOM 1338 CG LEU A 86 21.080 1.397 4.092 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.483 1.231 2.635 1.00 0.00 C ATOM 1340 CD2 LEU A 86 22.311 1.494 4.981 1.00 0.00 C ATOM 0 H LEU A 86 18.423 0.946 4.593 1.00 0.00 H new ATOM 0 HA LEU A 86 19.892 2.557 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.573 2.736 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.836 3.511 4.313 1.00 0.00 H new ATOM 0 HG LEU A 86 20.509 0.518 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.113 0.348 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.590 1.114 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.035 2.112 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.930 0.607 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.884 2.381 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 86 22.002 1.563 6.024 1.00 0.00 H new ATOM 1352 N GLN A 87 17.543 4.097 4.641 1.00 0.00 N ATOM 1353 CA GLN A 87 16.721 5.300 4.593 1.00 0.00 C ATOM 1354 C GLN A 87 16.065 5.566 5.944 1.00 0.00 C ATOM 1355 O GLN A 87 15.993 6.709 6.395 1.00 0.00 O ATOM 1356 CB GLN A 87 15.649 5.167 3.510 1.00 0.00 C ATOM 1357 CG GLN A 87 16.123 5.591 2.129 1.00 0.00 C ATOM 1358 CD GLN A 87 16.239 7.096 1.988 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.341 7.645 1.961 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.100 7.772 1.897 1.00 0.00 N ATOM 0 H GLN A 87 17.321 3.405 3.925 1.00 0.00 H new ATOM 0 HA GLN A 87 17.369 6.143 4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.314 4.131 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.785 5.770 3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.092 5.135 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.429 5.212 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.209 7.276 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.116 8.787 1.800 1.00 0.00 H new ATOM 1369 N ARG A 88 15.589 4.504 6.585 1.00 0.00 N ATOM 1370 CA ARG A 88 14.938 4.623 7.883 1.00 0.00 C ATOM 1371 C ARG A 88 15.679 5.616 8.774 1.00 0.00 C ATOM 1372 O ARG A 88 16.892 5.514 8.959 1.00 0.00 O ATOM 1373 CB ARG A 88 14.869 3.258 8.571 1.00 0.00 C ATOM 1374 CG ARG A 88 13.977 2.259 7.852 1.00 0.00 C ATOM 1375 CD ARG A 88 12.542 2.333 8.351 1.00 0.00 C ATOM 1376 NE ARG A 88 11.805 3.434 7.736 1.00 0.00 N ATOM 1377 CZ ARG A 88 10.563 3.764 8.072 1.00 0.00 C ATOM 1378 NH1 ARG A 88 9.923 3.082 9.012 1.00 0.00 N ATOM 1379 NH2 ARG A 88 9.958 4.778 7.467 1.00 0.00 N ATOM 0 H ARG A 88 15.642 3.551 6.226 1.00 0.00 H new ATOM 0 HA ARG A 88 13.925 4.992 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.876 2.846 8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 88 14.504 3.392 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.001 2.454 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.364 1.251 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.035 1.392 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.541 2.456 9.434 1.00 0.00 H new ATOM 0 HE ARG A 88 12.269 3.979 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.384 2.302 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.969 3.338 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.447 5.305 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.004 5.031 7.726 1.00 0.00 H new ATOM 1393 N SER A 89 14.941 6.576 9.322 1.00 0.00 N ATOM 1394 CA SER A 89 15.529 7.591 10.190 1.00 0.00 C ATOM 1395 C SER A 89 15.509 7.137 11.646 1.00 0.00 C ATOM 1396 O SER A 89 15.143 7.900 12.540 1.00 0.00 O ATOM 1397 CB SER A 89 14.777 8.914 10.045 1.00 0.00 C ATOM 1398 OG SER A 89 14.760 9.347 8.695 1.00 0.00 O ATOM 0 H SER A 89 13.935 6.673 9.181 1.00 0.00 H new ATOM 0 HA SER A 89 16.566 7.737 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.755 8.796 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.249 9.674 10.668 1.00 0.00 H new ATOM 0 HG SER A 89 14.272 10.194 8.629 1.00 0.00 H new ATOM 1404 N GLY A 90 15.904 5.889 11.877 1.00 0.00 N ATOM 1405 CA GLY A 90 15.923 5.355 13.226 1.00 0.00 C ATOM 1406 C GLY A 90 14.782 4.391 13.485 1.00 0.00 C ATOM 1407 O GLY A 90 14.205 3.817 12.561 1.00 0.00 O ATOM 0 H GLY A 90 16.211 5.238 11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.871 4.845 13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.869 6.177 13.940 1.00 0.00 H new ATOM 1411 N PRO A 91 14.442 4.201 14.768 1.00 0.00 N ATOM 1412 CA PRO A 91 13.361 3.299 15.175 1.00 0.00 C ATOM 1413 C PRO A 91 11.986 3.831 14.788 1.00 0.00 C ATOM 1414 O PRO A 91 11.755 5.040 14.787 1.00 0.00 O ATOM 1415 CB PRO A 91 13.502 3.240 16.698 1.00 0.00 C ATOM 1416 CG PRO A 91 14.171 4.520 17.066 1.00 0.00 C ATOM 1417 CD PRO A 91 15.087 4.852 15.921 1.00 0.00 C ATOM 0 HA PRO A 91 13.437 2.327 14.688 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.530 3.148 17.182 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.095 2.380 17.008 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.439 5.312 17.222 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.730 4.415 17.996 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.176 5.929 15.777 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.094 4.469 16.088 1.00 0.00 H new ATOM 1425 N SER A 92 11.075 2.920 14.459 1.00 0.00 N ATOM 1426 CA SER A 92 9.722 3.299 14.067 1.00 0.00 C ATOM 1427 C SER A 92 8.948 3.859 15.256 1.00 0.00 C ATOM 1428 O SER A 92 9.311 3.631 16.410 1.00 0.00 O ATOM 1429 CB SER A 92 8.982 2.094 13.483 1.00 0.00 C ATOM 1430 OG SER A 92 9.276 1.932 12.106 1.00 0.00 O ATOM 0 H SER A 92 11.249 1.915 14.456 1.00 0.00 H new ATOM 0 HA SER A 92 9.795 4.076 13.306 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.264 1.192 14.027 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.908 2.224 13.616 1.00 0.00 H new ATOM 0 HG SER A 92 8.792 1.154 11.757 1.00 0.00 H new ATOM 1436 N SER A 93 7.879 4.593 14.965 1.00 0.00 N ATOM 1437 CA SER A 93 7.054 5.190 16.009 1.00 0.00 C ATOM 1438 C SER A 93 6.134 4.147 16.637 1.00 0.00 C ATOM 1439 O SER A 93 5.918 3.075 16.075 1.00 0.00 O ATOM 1440 CB SER A 93 6.225 6.341 15.438 1.00 0.00 C ATOM 1441 OG SER A 93 5.451 6.963 16.449 1.00 0.00 O ATOM 0 H SER A 93 7.564 4.789 14.015 1.00 0.00 H new ATOM 0 HA SER A 93 7.716 5.578 16.783 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.886 7.076 14.978 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.569 5.966 14.652 1.00 0.00 H new ATOM 0 HG SER A 93 4.932 7.697 16.059 1.00 0.00 H new ATOM 1447 N GLY A 94 5.594 4.472 17.808 1.00 0.00 N ATOM 1448 CA GLY A 94 4.704 3.554 18.494 1.00 0.00 C ATOM 1449 C GLY A 94 4.429 3.974 19.925 1.00 0.00 C ATOM 1450 O GLY A 94 5.334 3.993 20.758 1.00 0.00 O ATOM 0 H GLY A 94 5.757 5.354 18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 94 3.762 3.491 17.950 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.142 2.556 18.489 1.00 0.00 H new TER 1454 GLY A 94