USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.331 K(o=0.92,f=-2.1) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -178:sc= 0.585 (180deg=-0.00764) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -165:sc= 1.11 (180deg=-0.43) USER MOD Set 2.2: A 10 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0.397 K(o=0.81,f=-3.2!) USER MOD Set 3.2: A 6 SER OG : rot -111:sc= 0.414 USER MOD Single : A 8 SER OG : rot -40:sc= -0.837! USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.21) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc=-0.00421 (180deg=-0.0677) USER MOD Single : A 23 CYS SG : rot 61:sc= 1.26 USER MOD Single : A 29 THR OG1 : rot -179:sc= -1.03 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0217) USER MOD Single : A 44 THR OG1 : rot -83:sc= 1.35 USER MOD Single : A 46 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-5.8!) USER MOD Single : A 50 SER OG : rot -97:sc= 1.35 USER MOD Single : A 54 TYR OH : rot -85:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.677 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 1.19 (180deg=1.18) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0.989) USER MOD Single : A 85 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.684 10.583 -4.920 1.00 0.00 N ATOM 36 CA LYS A 4 7.642 11.275 -4.195 1.00 0.00 C ATOM 37 C LYS A 4 8.241 12.080 -3.043 1.00 0.00 C ATOM 38 O LYS A 4 9.450 12.071 -2.811 1.00 0.00 O ATOM 39 CB LYS A 4 6.762 10.240 -3.526 1.00 0.00 C ATOM 40 CG LYS A 4 7.592 9.393 -2.594 1.00 0.00 C ATOM 41 CD LYS A 4 6.763 8.516 -1.798 1.00 0.00 C ATOM 42 CE LYS A 4 7.592 7.551 -1.023 1.00 0.00 C ATOM 43 NZ LYS A 4 8.313 6.578 -1.886 1.00 0.00 N ATOM 0 HA LYS A 4 7.106 11.916 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.963 10.732 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.287 9.611 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.300 8.800 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.177 10.038 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.154 9.108 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.077 7.972 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.316 8.103 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.952 7.007 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.661 5.789 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.665 6.213 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.118 7.051 -2.345 1.00 0.00 H new ATOM 57 N HIS A 5 7.382 12.747 -2.322 1.00 0.00 N ATOM 58 CA HIS A 5 7.750 13.327 -1.046 1.00 0.00 C ATOM 59 C HIS A 5 6.879 12.691 0.066 1.00 0.00 C ATOM 60 O HIS A 5 7.273 12.645 1.235 1.00 0.00 O ATOM 61 CB HIS A 5 7.614 14.875 -1.049 1.00 0.00 C ATOM 62 CG HIS A 5 6.209 15.374 -1.171 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.472 15.289 -2.317 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.387 15.902 -0.234 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.253 15.739 -2.060 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.145 16.133 -0.802 1.00 0.00 N ATOM 0 H HIS A 5 6.412 12.907 -2.594 1.00 0.00 H new ATOM 0 HA HIS A 5 8.801 13.111 -0.855 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.047 15.267 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.202 15.277 -1.874 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.803 14.939 -3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.656 16.110 0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.452 15.779 -2.783 1.00 0.00 H new ATOM 74 N SER A 6 5.705 12.171 -0.322 1.00 0.00 N ATOM 75 CA SER A 6 4.755 11.586 0.619 1.00 0.00 C ATOM 76 C SER A 6 3.932 10.505 -0.079 1.00 0.00 C ATOM 77 O SER A 6 4.119 10.261 -1.278 1.00 0.00 O ATOM 78 CB SER A 6 3.810 12.686 1.117 1.00 0.00 C ATOM 79 OG SER A 6 3.092 13.267 0.034 1.00 0.00 O ATOM 0 H SER A 6 5.394 12.147 -1.293 1.00 0.00 H new ATOM 0 HA SER A 6 5.298 11.144 1.455 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.110 12.269 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.382 13.456 1.634 1.00 0.00 H new ATOM 0 HG SER A 6 3.403 14.185 -0.109 1.00 0.00 H new ATOM 85 N ILE A 7 3.015 9.875 0.658 1.00 0.00 N ATOM 86 CA ILE A 7 2.105 8.895 0.083 1.00 0.00 C ATOM 87 C ILE A 7 1.109 9.587 -0.852 1.00 0.00 C ATOM 88 O ILE A 7 0.750 9.059 -1.896 1.00 0.00 O ATOM 89 CB ILE A 7 1.317 8.083 1.174 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.366 7.073 0.504 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.551 9.004 2.130 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.459 6.261 1.468 1.00 0.00 C ATOM 0 H ILE A 7 2.886 10.030 1.658 1.00 0.00 H new ATOM 0 HA ILE A 7 2.718 8.187 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 7 2.046 7.536 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.305 7.613 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.954 6.394 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.020 8.402 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.253 9.666 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.166 9.600 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.099 5.576 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.201 5.690 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.077 6.928 2.070 1.00 0.00 H new ATOM 104 N SER A 8 0.747 10.814 -0.505 1.00 0.00 N ATOM 105 CA SER A 8 -0.253 11.554 -1.233 1.00 0.00 C ATOM 106 C SER A 8 0.320 12.169 -2.499 1.00 0.00 C ATOM 107 O SER A 8 -0.381 12.829 -3.269 1.00 0.00 O ATOM 108 CB SER A 8 -0.871 12.592 -0.307 1.00 0.00 C ATOM 109 OG SER A 8 -1.258 11.955 0.886 1.00 0.00 O ATOM 0 H SER A 8 1.142 11.317 0.289 1.00 0.00 H new ATOM 0 HA SER A 8 -1.039 10.876 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.154 13.386 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.733 13.059 -0.784 1.00 0.00 H new ATOM 0 HG SER A 8 -1.649 11.081 0.678 1.00 0.00 H new ATOM 115 N ASP A 9 1.599 11.947 -2.702 1.00 0.00 N ATOM 116 CA ASP A 9 2.265 12.383 -3.900 1.00 0.00 C ATOM 117 C ASP A 9 2.102 11.296 -4.967 1.00 0.00 C ATOM 118 O ASP A 9 2.281 11.537 -6.163 1.00 0.00 O ATOM 119 CB ASP A 9 3.721 12.635 -3.597 1.00 0.00 C ATOM 120 CG ASP A 9 4.434 13.478 -4.627 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.781 14.196 -5.419 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.671 13.542 -4.564 1.00 0.00 O ATOM 0 H ASP A 9 2.203 11.460 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 9 1.830 13.311 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.798 13.126 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.233 11.677 -3.511 1.00 0.00 H new ATOM 127 N TYR A 10 1.753 10.089 -4.515 1.00 0.00 N ATOM 128 CA TYR A 10 1.431 9.000 -5.420 1.00 0.00 C ATOM 129 C TYR A 10 0.015 9.161 -5.858 1.00 0.00 C ATOM 130 O TYR A 10 -0.794 9.787 -5.168 1.00 0.00 O ATOM 131 CB TYR A 10 1.506 7.618 -4.753 1.00 0.00 C ATOM 132 CG TYR A 10 2.866 7.050 -4.482 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.556 6.357 -5.471 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.443 7.147 -3.240 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.789 5.796 -5.210 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.645 6.584 -2.986 1.00 0.00 C ATOM 137 CZ TYR A 10 5.324 5.917 -3.958 1.00 0.00 C ATOM 138 OH TYR A 10 6.545 5.351 -3.660 1.00 0.00 O ATOM 0 H TYR A 10 1.688 9.848 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 10 2.155 9.044 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.970 7.673 -3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.967 6.911 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.121 6.257 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.929 7.681 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.325 5.268 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.073 6.665 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 10 7.101 5.330 -4.467 1.00 0.00 H new ATOM 148 N THR A 11 -0.303 8.601 -6.963 1.00 0.00 N ATOM 149 CA THR A 11 -1.648 8.582 -7.392 1.00 0.00 C ATOM 150 C THR A 11 -2.268 7.331 -6.834 1.00 0.00 C ATOM 151 O THR A 11 -1.531 6.432 -6.364 1.00 0.00 O ATOM 152 CB THR A 11 -1.732 8.586 -8.925 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.071 7.428 -9.455 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.067 9.822 -9.470 1.00 0.00 C ATOM 0 H THR A 11 0.357 8.145 -7.593 1.00 0.00 H new ATOM 0 HA THR A 11 -2.176 9.469 -7.040 1.00 0.00 H new ATOM 0 HB THR A 11 -2.782 8.574 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.130 7.437 -10.433 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.130 9.819 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.569 10.707 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.020 9.836 -9.167 1.00 0.00 H new ATOM 162 N GLU A 12 -3.578 7.250 -6.863 1.00 0.00 N ATOM 163 CA GLU A 12 -4.276 6.076 -6.384 1.00 0.00 C ATOM 164 C GLU A 12 -3.792 4.868 -7.179 1.00 0.00 C ATOM 165 O GLU A 12 -3.493 3.818 -6.624 1.00 0.00 O ATOM 166 CB GLU A 12 -5.785 6.266 -6.551 1.00 0.00 C ATOM 167 CG GLU A 12 -6.635 5.146 -5.979 1.00 0.00 C ATOM 168 CD GLU A 12 -8.103 5.404 -6.176 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.664 6.270 -5.477 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.727 4.770 -7.049 1.00 0.00 O ATOM 0 H GLU A 12 -4.187 7.988 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.070 5.918 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.074 7.202 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.009 6.367 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.364 4.204 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.425 5.037 -4.915 1.00 0.00 H new ATOM 177 N ALA A 13 -3.621 5.084 -8.469 1.00 0.00 N ATOM 178 CA ALA A 13 -3.166 4.066 -9.374 1.00 0.00 C ATOM 179 C ALA A 13 -1.706 3.655 -9.106 1.00 0.00 C ATOM 180 O ALA A 13 -1.418 2.465 -9.033 1.00 0.00 O ATOM 181 CB ALA A 13 -3.358 4.516 -10.813 1.00 0.00 C ATOM 0 H ALA A 13 -3.798 5.984 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.774 3.177 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.009 3.735 -11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.415 4.708 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.788 5.428 -10.988 1.00 0.00 H new ATOM 187 N GLU A 14 -0.788 4.620 -8.932 1.00 0.00 N ATOM 188 CA GLU A 14 0.627 4.267 -8.695 1.00 0.00 C ATOM 189 C GLU A 14 0.839 3.633 -7.345 1.00 0.00 C ATOM 190 O GLU A 14 1.718 2.794 -7.178 1.00 0.00 O ATOM 191 CB GLU A 14 1.597 5.432 -8.893 1.00 0.00 C ATOM 192 CG GLU A 14 1.634 5.964 -10.307 1.00 0.00 C ATOM 193 CD GLU A 14 1.741 4.864 -11.335 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.809 4.233 -11.456 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.758 4.620 -12.039 1.00 0.00 O ATOM 0 H GLU A 14 -0.987 5.620 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 14 0.859 3.531 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.320 6.242 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.599 5.110 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.733 6.547 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.481 6.642 -10.415 1.00 0.00 H new ATOM 202 N PHE A 15 0.041 4.012 -6.389 1.00 0.00 N ATOM 203 CA PHE A 15 0.096 3.384 -5.092 1.00 0.00 C ATOM 204 C PHE A 15 -0.457 1.998 -5.203 1.00 0.00 C ATOM 205 O PHE A 15 -0.017 1.102 -4.551 1.00 0.00 O ATOM 206 CB PHE A 15 -0.659 4.187 -4.051 1.00 0.00 C ATOM 207 CG PHE A 15 -0.593 3.579 -2.690 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.431 3.908 -1.835 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.557 2.670 -2.271 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.497 3.349 -0.592 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.494 2.113 -1.027 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.470 2.452 -0.191 1.00 0.00 C ATOM 0 H PHE A 15 -0.656 4.751 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 15 1.134 3.339 -4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.251 5.197 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.702 4.276 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.187 4.612 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.364 2.402 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.305 3.609 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.248 1.410 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.417 2.013 0.794 1.00 0.00 H new ATOM 222 N LEU A 16 -1.395 1.826 -6.046 1.00 0.00 N ATOM 223 CA LEU A 16 -1.973 0.531 -6.260 1.00 0.00 C ATOM 224 C LEU A 16 -0.988 -0.365 -7.000 1.00 0.00 C ATOM 225 O LEU A 16 -1.095 -1.587 -7.005 1.00 0.00 O ATOM 226 CB LEU A 16 -3.321 0.713 -6.938 1.00 0.00 C ATOM 227 CG LEU A 16 -4.186 -0.479 -7.032 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.606 -0.075 -7.000 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.983 -1.206 -8.286 1.00 0.00 C ATOM 0 H LEU A 16 -1.796 2.570 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.168 0.010 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.869 1.488 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.146 1.086 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.927 -1.118 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.238 -0.960 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.815 0.447 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.815 0.587 -7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.640 -2.076 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.213 -0.552 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.945 -1.533 -8.353 1.00 0.00 H new ATOM 241 N GLU A 17 -0.049 0.247 -7.586 1.00 0.00 N ATOM 242 CA GLU A 17 1.049 -0.453 -8.144 1.00 0.00 C ATOM 243 C GLU A 17 2.068 -0.832 -7.051 1.00 0.00 C ATOM 244 O GLU A 17 2.823 -1.755 -7.253 1.00 0.00 O ATOM 245 CB GLU A 17 1.709 0.309 -9.287 1.00 0.00 C ATOM 246 CG GLU A 17 0.771 0.602 -10.452 1.00 0.00 C ATOM 247 CD GLU A 17 0.124 -0.642 -11.035 1.00 0.00 C ATOM 248 OE1 GLU A 17 0.799 -1.387 -11.777 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.074 -0.883 -10.788 1.00 0.00 O ATOM 0 H GLU A 17 -0.009 1.260 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 17 0.657 -1.373 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.103 1.250 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.559 -0.267 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.010 1.285 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.328 1.114 -11.237 1.00 0.00 H new ATOM 256 N PHE A 18 2.035 -0.129 -5.857 1.00 0.00 N ATOM 257 CA PHE A 18 2.995 -0.391 -4.713 1.00 0.00 C ATOM 258 C PHE A 18 2.931 -1.833 -4.391 1.00 0.00 C ATOM 259 O PHE A 18 3.921 -2.534 -4.326 1.00 0.00 O ATOM 260 CB PHE A 18 2.645 0.450 -3.360 1.00 0.00 C ATOM 261 CG PHE A 18 1.888 -0.293 -2.153 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.486 -0.434 -2.114 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.601 -0.845 -1.077 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.156 -1.098 -1.045 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.946 -1.500 -0.029 1.00 0.00 C ATOM 266 CZ PHE A 18 0.581 -1.623 -0.019 1.00 0.00 C ATOM 0 H PHE A 18 1.362 0.613 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 18 3.985 -0.072 -5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.582 0.845 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.036 1.305 -3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.109 -0.026 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.678 -0.762 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.232 -1.191 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.524 -1.915 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.089 -2.133 0.796 1.00 0.00 H new ATOM 276 N VAL A 19 1.736 -2.261 -4.285 1.00 0.00 N ATOM 277 CA VAL A 19 1.421 -3.570 -3.860 1.00 0.00 C ATOM 278 C VAL A 19 1.743 -4.610 -4.924 1.00 0.00 C ATOM 279 O VAL A 19 2.288 -5.664 -4.615 1.00 0.00 O ATOM 280 CB VAL A 19 -0.045 -3.630 -3.380 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.998 -3.163 -4.442 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.406 -4.982 -2.829 1.00 0.00 C ATOM 0 H VAL A 19 0.918 -1.691 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 19 2.056 -3.823 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.140 -2.931 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.019 -3.220 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.767 -2.132 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.900 -3.797 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.446 -4.976 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.272 -5.738 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.238 -5.213 -1.980 1.00 0.00 H new ATOM 292 N LYS A 20 1.452 -4.296 -6.166 1.00 0.00 N ATOM 293 CA LYS A 20 1.756 -5.200 -7.276 1.00 0.00 C ATOM 294 C LYS A 20 3.280 -5.330 -7.422 1.00 0.00 C ATOM 295 O LYS A 20 3.817 -6.395 -7.701 1.00 0.00 O ATOM 296 CB LYS A 20 1.170 -4.652 -8.558 1.00 0.00 C ATOM 297 CG LYS A 20 -0.324 -4.523 -8.502 1.00 0.00 C ATOM 298 CD LYS A 20 -0.859 -3.919 -9.751 1.00 0.00 C ATOM 299 CE LYS A 20 -2.356 -3.728 -9.721 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.814 -2.965 -10.900 1.00 0.00 N ATOM 0 H LYS A 20 1.004 -3.422 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 20 1.322 -6.179 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.608 -3.675 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.444 -5.305 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.771 -5.505 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.607 -3.908 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.379 -2.955 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.596 -4.555 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.850 -4.699 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.641 -3.203 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.821 -2.729 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.260 -2.089 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.684 -3.539 -11.757 1.00 0.00 H new ATOM 314 N LYS A 21 3.950 -4.221 -7.176 1.00 0.00 N ATOM 315 CA LYS A 21 5.399 -4.101 -7.205 1.00 0.00 C ATOM 316 C LYS A 21 6.005 -4.982 -6.113 1.00 0.00 C ATOM 317 O LYS A 21 7.060 -5.569 -6.301 1.00 0.00 O ATOM 318 CB LYS A 21 5.742 -2.620 -6.989 1.00 0.00 C ATOM 319 CG LYS A 21 7.188 -2.212 -7.079 1.00 0.00 C ATOM 320 CD LYS A 21 7.275 -0.711 -6.863 1.00 0.00 C ATOM 321 CE LYS A 21 8.687 -0.180 -6.945 1.00 0.00 C ATOM 322 NZ LYS A 21 9.309 -0.403 -8.268 1.00 0.00 N ATOM 0 H LYS A 21 3.484 -3.344 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 21 5.809 -4.434 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.184 -2.037 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.374 -2.331 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.778 -2.738 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.598 -2.480 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.660 -0.207 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.857 -0.466 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.682 0.888 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.295 -0.659 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.220 0.097 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.466 -1.421 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.679 -0.042 -9.013 1.00 0.00 H new ATOM 336 N ILE A 22 5.306 -5.076 -4.992 1.00 0.00 N ATOM 337 CA ILE A 22 5.709 -5.936 -3.885 1.00 0.00 C ATOM 338 C ILE A 22 5.419 -7.403 -4.224 1.00 0.00 C ATOM 339 O ILE A 22 6.183 -8.298 -3.884 1.00 0.00 O ATOM 340 CB ILE A 22 5.004 -5.528 -2.567 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.383 -4.090 -2.218 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.393 -6.468 -1.431 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.707 -3.539 -1.002 1.00 0.00 C ATOM 0 H ILE A 22 4.443 -4.559 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 22 6.782 -5.815 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 22 3.925 -5.597 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.462 -4.039 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.147 -3.451 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.886 -6.162 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.100 -7.487 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.472 -6.428 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.039 -2.514 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.627 -3.552 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.962 -4.149 -0.136 1.00 0.00 H new ATOM 355 N CYS A 23 4.345 -7.631 -4.943 1.00 0.00 N ATOM 356 CA CYS A 23 3.981 -8.957 -5.395 1.00 0.00 C ATOM 357 C CYS A 23 5.069 -9.526 -6.324 1.00 0.00 C ATOM 358 O CYS A 23 5.315 -10.722 -6.356 1.00 0.00 O ATOM 359 CB CYS A 23 2.629 -8.897 -6.098 1.00 0.00 C ATOM 360 SG CYS A 23 1.260 -8.367 -5.040 1.00 0.00 S ATOM 0 H CYS A 23 3.695 -6.900 -5.233 1.00 0.00 H new ATOM 0 HA CYS A 23 3.899 -9.625 -4.538 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.703 -8.215 -6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.399 -9.883 -6.502 1.00 0.00 H new ATOM 0 HG CYS A 23 1.491 -7.165 -4.602 1.00 0.00 H new ATOM 366 N ARG A 24 5.725 -8.646 -7.051 1.00 0.00 N ATOM 367 CA ARG A 24 6.809 -9.024 -7.931 1.00 0.00 C ATOM 368 C ARG A 24 8.182 -8.762 -7.294 1.00 0.00 C ATOM 369 O ARG A 24 9.219 -8.947 -7.926 1.00 0.00 O ATOM 370 CB ARG A 24 6.661 -8.361 -9.297 1.00 0.00 C ATOM 371 CG ARG A 24 6.653 -6.862 -9.296 1.00 0.00 C ATOM 372 CD ARG A 24 6.344 -6.370 -10.681 1.00 0.00 C ATOM 373 NE ARG A 24 6.334 -4.904 -10.784 1.00 0.00 N ATOM 374 CZ ARG A 24 5.487 -4.202 -11.555 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.622 -4.839 -12.344 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.531 -2.864 -11.556 1.00 0.00 N ATOM 0 H ARG A 24 5.521 -7.647 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 24 6.750 -10.101 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.476 -8.701 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.734 -8.710 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.910 -6.491 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.621 -6.481 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.082 -6.772 -11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.372 -6.756 -10.989 1.00 0.00 H new ATOM 0 HE ARG A 24 7.017 -4.384 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.604 -5.859 -12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.979 -4.307 -12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.209 -2.376 -10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.887 -2.333 -12.142 1.00 0.00 H new ATOM 390 N ALA A 25 8.171 -8.387 -6.016 1.00 0.00 N ATOM 391 CA ALA A 25 9.379 -7.999 -5.274 1.00 0.00 C ATOM 392 C ALA A 25 10.061 -9.171 -4.603 1.00 0.00 C ATOM 393 O ALA A 25 10.814 -8.982 -3.654 1.00 0.00 O ATOM 394 CB ALA A 25 9.061 -6.938 -4.242 1.00 0.00 C ATOM 0 H ALA A 25 7.318 -8.342 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 25 10.072 -7.596 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.971 -6.667 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.657 -6.056 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.326 -7.325 -3.537 1.00 0.00 H new ATOM 400 N GLU A 26 9.785 -10.372 -5.101 1.00 0.00 N ATOM 401 CA GLU A 26 10.380 -11.611 -4.595 1.00 0.00 C ATOM 402 C GLU A 26 11.904 -11.455 -4.395 1.00 0.00 C ATOM 403 O GLU A 26 12.440 -11.841 -3.351 1.00 0.00 O ATOM 404 CB GLU A 26 10.094 -12.749 -5.571 1.00 0.00 C ATOM 405 CG GLU A 26 8.612 -13.023 -5.807 1.00 0.00 C ATOM 406 CD GLU A 26 7.886 -13.437 -4.555 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.163 -14.541 -4.035 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.013 -12.693 -4.081 1.00 0.00 O ATOM 0 H GLU A 26 9.136 -10.517 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 26 9.935 -11.839 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.564 -12.518 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.563 -13.659 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.142 -12.127 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.508 -13.807 -6.557 1.00 0.00 H new ATOM 415 N GLY A 27 12.568 -10.861 -5.396 1.00 0.00 N ATOM 416 CA GLY A 27 13.984 -10.567 -5.322 1.00 0.00 C ATOM 417 C GLY A 27 14.828 -11.808 -5.284 1.00 0.00 C ATOM 418 O GLY A 27 15.106 -12.417 -6.324 1.00 0.00 O ATOM 0 H GLY A 27 12.130 -10.576 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.272 -9.962 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.182 -9.970 -4.432 1.00 0.00 H new ATOM 422 N ALA A 28 15.221 -12.177 -4.105 1.00 0.00 N ATOM 423 CA ALA A 28 15.982 -13.366 -3.863 1.00 0.00 C ATOM 424 C ALA A 28 15.603 -13.859 -2.495 1.00 0.00 C ATOM 425 O ALA A 28 15.109 -14.979 -2.326 1.00 0.00 O ATOM 426 CB ALA A 28 17.484 -13.105 -3.958 1.00 0.00 C ATOM 0 H ALA A 28 15.016 -11.645 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 28 15.759 -14.117 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.027 -14.031 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.727 -12.740 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.771 -12.358 -3.218 1.00 0.00 H new ATOM 432 N THR A 29 15.801 -13.011 -1.532 1.00 0.00 N ATOM 433 CA THR A 29 15.394 -13.264 -0.195 1.00 0.00 C ATOM 434 C THR A 29 14.183 -12.399 0.109 1.00 0.00 C ATOM 435 O THR A 29 14.008 -11.334 -0.510 1.00 0.00 O ATOM 436 CB THR A 29 16.544 -12.980 0.791 1.00 0.00 C ATOM 437 OG1 THR A 29 17.156 -11.710 0.491 1.00 0.00 O ATOM 438 CG2 THR A 29 17.591 -14.079 0.728 1.00 0.00 C ATOM 0 H THR A 29 16.259 -12.109 -1.662 1.00 0.00 H new ATOM 0 HA THR A 29 15.128 -14.315 -0.081 1.00 0.00 H new ATOM 0 HB THR A 29 16.128 -12.950 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.894 -11.547 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.393 -13.858 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.133 -15.033 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.999 -14.135 -0.281 1.00 0.00 H new ATOM 446 N GLU A 30 13.357 -12.830 1.042 1.00 0.00 N ATOM 447 CA GLU A 30 12.122 -12.120 1.377 1.00 0.00 C ATOM 448 C GLU A 30 12.361 -10.713 1.929 1.00 0.00 C ATOM 449 O GLU A 30 11.444 -9.905 1.973 1.00 0.00 O ATOM 450 CB GLU A 30 11.254 -12.943 2.321 1.00 0.00 C ATOM 451 CG GLU A 30 11.938 -13.318 3.612 1.00 0.00 C ATOM 452 CD GLU A 30 11.059 -14.134 4.509 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.988 -15.364 4.329 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.422 -13.569 5.414 1.00 0.00 O ATOM 0 H GLU A 30 13.514 -13.676 1.590 1.00 0.00 H new ATOM 0 HA GLU A 30 11.584 -11.988 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.350 -12.379 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.941 -13.853 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.846 -13.879 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.244 -12.412 4.134 1.00 0.00 H new ATOM 461 N GLU A 31 13.592 -10.413 2.330 1.00 0.00 N ATOM 462 CA GLU A 31 13.923 -9.085 2.807 1.00 0.00 C ATOM 463 C GLU A 31 13.802 -8.066 1.678 1.00 0.00 C ATOM 464 O GLU A 31 13.570 -6.901 1.927 1.00 0.00 O ATOM 465 CB GLU A 31 15.327 -9.032 3.399 1.00 0.00 C ATOM 466 CG GLU A 31 16.437 -9.265 2.396 1.00 0.00 C ATOM 467 CD GLU A 31 17.789 -9.248 3.026 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.239 -8.177 3.490 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.454 -10.301 3.055 1.00 0.00 O ATOM 0 H GLU A 31 14.371 -11.072 2.332 1.00 0.00 H new ATOM 0 HA GLU A 31 13.213 -8.838 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.475 -8.059 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.404 -9.780 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.281 -10.225 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.390 -8.498 1.623 1.00 0.00 H new ATOM 476 N ASP A 32 13.939 -8.529 0.432 1.00 0.00 N ATOM 477 CA ASP A 32 13.853 -7.645 -0.740 1.00 0.00 C ATOM 478 C ASP A 32 12.422 -7.162 -0.872 1.00 0.00 C ATOM 479 O ASP A 32 12.150 -5.977 -1.108 1.00 0.00 O ATOM 480 CB ASP A 32 14.310 -8.381 -2.020 1.00 0.00 C ATOM 481 CG ASP A 32 14.529 -7.446 -3.203 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.585 -7.138 -3.952 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.666 -7.002 -3.415 1.00 0.00 O ATOM 0 H ASP A 32 14.110 -9.509 0.206 1.00 0.00 H new ATOM 0 HA ASP A 32 14.517 -6.791 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.236 -8.917 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.563 -9.128 -2.289 1.00 0.00 H new ATOM 488 N ASP A 33 11.536 -8.081 -0.652 1.00 0.00 N ATOM 489 CA ASP A 33 10.102 -7.851 -0.620 1.00 0.00 C ATOM 490 C ASP A 33 9.757 -6.978 0.577 1.00 0.00 C ATOM 491 O ASP A 33 9.217 -5.866 0.436 1.00 0.00 O ATOM 492 CB ASP A 33 9.417 -9.224 -0.517 1.00 0.00 C ATOM 493 CG ASP A 33 7.946 -9.190 -0.168 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.616 -9.155 1.037 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.099 -9.337 -1.066 1.00 0.00 O ATOM 0 H ASP A 33 11.788 -9.055 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 33 9.762 -7.336 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.536 -9.743 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.938 -9.816 0.236 1.00 0.00 H new ATOM 500 N ASN A 34 10.154 -7.455 1.741 1.00 0.00 N ATOM 501 CA ASN A 34 9.890 -6.802 3.012 1.00 0.00 C ATOM 502 C ASN A 34 10.416 -5.370 3.085 1.00 0.00 C ATOM 503 O ASN A 34 9.723 -4.493 3.606 1.00 0.00 O ATOM 504 CB ASN A 34 10.404 -7.658 4.184 1.00 0.00 C ATOM 505 CG ASN A 34 10.360 -6.942 5.524 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.339 -6.910 6.196 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.482 -6.421 5.948 1.00 0.00 N ATOM 0 H ASN A 34 10.680 -8.324 1.833 1.00 0.00 H new ATOM 0 HA ASN A 34 8.807 -6.717 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.807 -8.568 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.430 -7.963 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.522 -5.972 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.317 -6.464 5.364 1.00 0.00 H new ATOM 514 N LYS A 35 11.611 -5.110 2.530 1.00 0.00 N ATOM 515 CA LYS A 35 12.182 -3.764 2.587 1.00 0.00 C ATOM 516 C LYS A 35 11.308 -2.752 1.866 1.00 0.00 C ATOM 517 O LYS A 35 11.286 -1.572 2.234 1.00 0.00 O ATOM 518 CB LYS A 35 13.662 -3.695 2.126 1.00 0.00 C ATOM 519 CG LYS A 35 13.956 -4.036 0.667 1.00 0.00 C ATOM 520 CD LYS A 35 15.469 -3.990 0.408 1.00 0.00 C ATOM 521 CE LYS A 35 15.847 -4.364 -1.030 1.00 0.00 C ATOM 522 NZ LYS A 35 15.266 -3.448 -2.027 1.00 0.00 N ATOM 0 H LYS A 35 12.186 -5.801 2.048 1.00 0.00 H new ATOM 0 HA LYS A 35 12.197 -3.492 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.029 -2.687 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.243 -4.370 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.569 -5.028 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.445 -3.331 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.838 -2.987 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.970 -4.670 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.933 -4.361 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.511 -5.380 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.594 -3.716 -2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.228 -3.507 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.565 -2.474 -1.819 1.00 0.00 H new ATOM 536 N LEU A 36 10.577 -3.200 0.851 1.00 0.00 N ATOM 537 CA LEU A 36 9.632 -2.313 0.199 1.00 0.00 C ATOM 538 C LEU A 36 8.431 -2.102 1.102 1.00 0.00 C ATOM 539 O LEU A 36 8.056 -0.973 1.378 1.00 0.00 O ATOM 540 CB LEU A 36 9.171 -2.837 -1.169 1.00 0.00 C ATOM 541 CG LEU A 36 10.248 -3.000 -2.240 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.625 -3.472 -3.539 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.001 -1.694 -2.462 1.00 0.00 C ATOM 0 H LEU A 36 10.620 -4.146 0.473 1.00 0.00 H new ATOM 0 HA LEU A 36 10.144 -1.367 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.691 -3.804 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.409 -2.160 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 36 10.961 -3.748 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.402 -3.585 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.132 -4.431 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.892 -2.740 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.762 -1.838 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.303 -0.922 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.478 -1.386 -1.531 1.00 0.00 H new ATOM 555 N VAL A 37 7.889 -3.198 1.612 1.00 0.00 N ATOM 556 CA VAL A 37 6.692 -3.176 2.465 1.00 0.00 C ATOM 557 C VAL A 37 6.843 -2.190 3.631 1.00 0.00 C ATOM 558 O VAL A 37 5.978 -1.340 3.846 1.00 0.00 O ATOM 559 CB VAL A 37 6.377 -4.570 3.056 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.083 -4.518 3.828 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.306 -5.636 1.981 1.00 0.00 C ATOM 0 H VAL A 37 8.262 -4.134 1.450 1.00 0.00 H new ATOM 0 HA VAL A 37 5.874 -2.860 1.817 1.00 0.00 H new ATOM 0 HB VAL A 37 7.191 -4.840 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.866 -5.503 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.172 -3.795 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.274 -4.218 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.083 -6.600 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.521 -5.382 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.263 -5.694 1.462 1.00 0.00 H new ATOM 571 N ARG A 38 7.967 -2.292 4.331 1.00 0.00 N ATOM 572 CA ARG A 38 8.257 -1.473 5.517 1.00 0.00 C ATOM 573 C ARG A 38 8.151 0.035 5.213 1.00 0.00 C ATOM 574 O ARG A 38 7.620 0.796 6.034 1.00 0.00 O ATOM 575 CB ARG A 38 9.669 -1.755 6.025 1.00 0.00 C ATOM 576 CG ARG A 38 10.000 -3.204 6.391 1.00 0.00 C ATOM 577 CD ARG A 38 9.559 -3.636 7.791 1.00 0.00 C ATOM 578 NE ARG A 38 8.111 -3.834 7.970 1.00 0.00 N ATOM 579 CZ ARG A 38 7.576 -4.782 8.765 1.00 0.00 C ATOM 580 NH1 ARG A 38 8.347 -5.739 9.287 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.272 -4.790 8.993 1.00 0.00 N ATOM 0 H ARG A 38 8.712 -2.948 4.095 1.00 0.00 H new ATOM 0 HA ARG A 38 7.516 -1.739 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.375 -1.429 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.842 -1.135 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.532 -3.863 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.077 -3.347 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.068 -4.567 8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.896 -2.886 8.506 1.00 0.00 H new ATOM 0 HE ARG A 38 7.476 -3.218 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.347 -5.755 9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.936 -6.454 9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.676 -4.080 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.864 -5.506 9.594 1.00 0.00 H new ATOM 595 N GLU A 39 8.633 0.474 4.035 1.00 0.00 N ATOM 596 CA GLU A 39 8.597 1.902 3.732 1.00 0.00 C ATOM 597 C GLU A 39 7.170 2.319 3.448 1.00 0.00 C ATOM 598 O GLU A 39 6.712 3.371 3.907 1.00 0.00 O ATOM 599 CB GLU A 39 9.530 2.320 2.560 1.00 0.00 C ATOM 600 CG GLU A 39 9.063 1.919 1.164 1.00 0.00 C ATOM 601 CD GLU A 39 9.932 2.494 0.086 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.973 1.897 -0.244 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.607 3.565 -0.448 1.00 0.00 O ATOM 0 H GLU A 39 9.035 -0.118 3.309 1.00 0.00 H new ATOM 0 HA GLU A 39 8.978 2.422 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.651 3.403 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.515 1.886 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.059 0.832 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.036 2.254 1.017 1.00 0.00 H new ATOM 610 N PHE A 40 6.445 1.455 2.749 1.00 0.00 N ATOM 611 CA PHE A 40 5.080 1.728 2.405 1.00 0.00 C ATOM 612 C PHE A 40 4.207 1.765 3.638 1.00 0.00 C ATOM 613 O PHE A 40 3.304 2.581 3.727 1.00 0.00 O ATOM 614 CB PHE A 40 4.547 0.763 1.349 1.00 0.00 C ATOM 615 CG PHE A 40 5.159 0.942 -0.030 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.856 2.056 -0.799 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.009 -0.009 -0.561 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.398 2.215 -2.065 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.548 0.140 -1.825 1.00 0.00 C ATOM 620 CZ PHE A 40 6.244 1.251 -2.578 1.00 0.00 C ATOM 0 H PHE A 40 6.794 0.557 2.413 1.00 0.00 H new ATOM 0 HA PHE A 40 5.049 2.719 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.728 -0.259 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.467 0.887 1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.189 2.809 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.257 -0.884 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.159 3.091 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.209 -0.616 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.665 1.369 -3.566 1.00 0.00 H new ATOM 630 N GLU A 41 4.500 0.909 4.608 1.00 0.00 N ATOM 631 CA GLU A 41 3.829 0.930 5.902 1.00 0.00 C ATOM 632 C GLU A 41 4.006 2.266 6.605 1.00 0.00 C ATOM 633 O GLU A 41 3.146 2.687 7.354 1.00 0.00 O ATOM 634 CB GLU A 41 4.368 -0.143 6.804 1.00 0.00 C ATOM 635 CG GLU A 41 3.923 -1.544 6.493 1.00 0.00 C ATOM 636 CD GLU A 41 4.615 -2.521 7.375 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.851 -2.534 7.394 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.944 -3.243 8.148 1.00 0.00 O ATOM 0 H GLU A 41 5.209 0.181 4.521 1.00 0.00 H new ATOM 0 HA GLU A 41 2.771 0.760 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.457 -0.111 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.079 0.091 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.844 -1.627 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.134 -1.775 5.449 1.00 0.00 H new ATOM 645 N ARG A 42 5.117 2.928 6.373 1.00 0.00 N ATOM 646 CA ARG A 42 5.361 4.202 7.003 1.00 0.00 C ATOM 647 C ARG A 42 4.616 5.292 6.264 1.00 0.00 C ATOM 648 O ARG A 42 4.068 6.199 6.868 1.00 0.00 O ATOM 649 CB ARG A 42 6.840 4.501 7.026 1.00 0.00 C ATOM 650 CG ARG A 42 7.219 5.689 7.887 1.00 0.00 C ATOM 651 CD ARG A 42 6.703 5.525 9.317 1.00 0.00 C ATOM 652 NE ARG A 42 7.248 6.535 10.220 1.00 0.00 N ATOM 653 CZ ARG A 42 6.753 6.845 11.425 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.513 6.490 11.764 1.00 0.00 N ATOM 655 NH2 ARG A 42 7.483 7.581 12.259 1.00 0.00 N ATOM 0 H ARG A 42 5.862 2.606 5.755 1.00 0.00 H new ATOM 0 HA ARG A 42 5.001 4.162 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.372 3.621 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.179 4.683 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.303 5.801 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.810 6.601 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.615 5.588 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.965 4.533 9.684 1.00 0.00 H new ATOM 0 HE ARG A 42 8.073 7.046 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.931 5.977 11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.147 6.732 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.409 7.903 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.116 7.823 13.179 1.00 0.00 H new ATOM 669 N LEU A 43 4.612 5.180 4.960 1.00 0.00 N ATOM 670 CA LEU A 43 3.903 6.117 4.090 1.00 0.00 C ATOM 671 C LEU A 43 2.408 6.085 4.386 1.00 0.00 C ATOM 672 O LEU A 43 1.774 7.116 4.590 1.00 0.00 O ATOM 673 CB LEU A 43 4.137 5.740 2.628 1.00 0.00 C ATOM 674 CG LEU A 43 5.586 5.711 2.168 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.666 5.233 0.736 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.217 7.087 2.311 1.00 0.00 C ATOM 0 H LEU A 43 5.099 4.437 4.458 1.00 0.00 H new ATOM 0 HA LEU A 43 4.282 7.122 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.702 4.756 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.592 6.445 2.000 1.00 0.00 H new ATOM 0 HG LEU A 43 6.141 5.016 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.708 5.216 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.247 4.229 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.101 5.909 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.254 7.048 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.667 7.805 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.183 7.396 3.356 1.00 0.00 H new ATOM 688 N THR A 44 1.878 4.889 4.440 1.00 0.00 N ATOM 689 CA THR A 44 0.470 4.660 4.688 1.00 0.00 C ATOM 690 C THR A 44 0.141 4.926 6.129 1.00 0.00 C ATOM 691 O THR A 44 -0.951 5.417 6.453 1.00 0.00 O ATOM 692 CB THR A 44 0.117 3.192 4.349 1.00 0.00 C ATOM 693 OG1 THR A 44 0.968 2.306 5.087 1.00 0.00 O ATOM 694 CG2 THR A 44 0.349 2.948 2.899 1.00 0.00 C ATOM 0 H THR A 44 2.417 4.033 4.312 1.00 0.00 H new ATOM 0 HA THR A 44 -0.110 5.337 4.060 1.00 0.00 H new ATOM 0 HB THR A 44 -0.927 3.014 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.824 2.210 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.101 1.914 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.280 3.617 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.397 3.134 2.662 1.00 0.00 H new ATOM 702 N GLU A 45 1.128 4.617 6.979 1.00 0.00 N ATOM 703 CA GLU A 45 1.035 4.621 8.386 1.00 0.00 C ATOM 704 C GLU A 45 0.019 3.543 8.769 1.00 0.00 C ATOM 705 O GLU A 45 -0.605 3.569 9.840 1.00 0.00 O ATOM 706 CB GLU A 45 0.662 5.994 8.916 1.00 0.00 C ATOM 707 CG GLU A 45 1.125 6.173 10.315 1.00 0.00 C ATOM 708 CD GLU A 45 2.628 6.272 10.410 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.155 7.381 10.298 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.312 5.235 10.618 1.00 0.00 O ATOM 0 H GLU A 45 2.055 4.346 6.651 1.00 0.00 H new ATOM 0 HA GLU A 45 1.999 4.396 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.104 6.763 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.419 6.124 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.676 7.075 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.779 5.335 10.920 1.00 0.00 H new ATOM 717 N HIS A 46 -0.086 2.546 7.889 1.00 0.00 N ATOM 718 CA HIS A 46 -1.046 1.519 8.039 1.00 0.00 C ATOM 719 C HIS A 46 -0.472 0.376 8.890 1.00 0.00 C ATOM 720 O HIS A 46 0.569 -0.191 8.574 1.00 0.00 O ATOM 721 CB HIS A 46 -1.583 1.018 6.666 1.00 0.00 C ATOM 722 CG HIS A 46 -2.808 0.174 6.821 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.785 -1.095 7.320 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.108 0.518 6.737 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.040 -1.461 7.572 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.886 -0.521 7.220 1.00 0.00 N ATOM 0 H HIS A 46 0.504 2.453 7.062 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.906 1.931 8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.810 1.874 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.807 0.443 6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.484 1.455 6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.325 -2.407 8.009 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.903 -0.550 7.288 1.00 0.00 H new ATOM 734 N PRO A 47 -1.207 0.006 9.936 1.00 0.00 N ATOM 735 CA PRO A 47 -0.795 -0.973 10.950 1.00 0.00 C ATOM 736 C PRO A 47 -0.555 -2.343 10.408 1.00 0.00 C ATOM 737 O PRO A 47 0.394 -3.034 10.779 1.00 0.00 O ATOM 738 CB PRO A 47 -2.003 -1.016 11.873 1.00 0.00 C ATOM 739 CG PRO A 47 -3.124 -0.428 11.142 1.00 0.00 C ATOM 740 CD PRO A 47 -2.536 0.530 10.216 1.00 0.00 C ATOM 0 HA PRO A 47 0.149 -0.684 11.412 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.229 -2.042 12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.807 -0.460 12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.687 -1.193 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.820 0.063 11.822 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.128 0.615 9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.484 1.526 10.656 1.00 0.00 H new ATOM 748 N ASP A 48 -1.395 -2.727 9.524 1.00 0.00 N ATOM 749 CA ASP A 48 -1.363 -4.033 9.003 1.00 0.00 C ATOM 750 C ASP A 48 -0.809 -3.967 7.620 1.00 0.00 C ATOM 751 O ASP A 48 -1.009 -4.866 6.843 1.00 0.00 O ATOM 752 CB ASP A 48 -2.769 -4.641 8.955 1.00 0.00 C ATOM 753 CG ASP A 48 -3.481 -4.625 10.283 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.100 -3.594 10.621 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.463 -5.638 11.001 1.00 0.00 O ATOM 0 H ASP A 48 -2.131 -2.135 9.139 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.744 -4.661 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.367 -4.095 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.699 -5.670 8.603 1.00 0.00 H new ATOM 760 N GLY A 49 -0.092 -2.866 7.326 1.00 0.00 N ATOM 761 CA GLY A 49 0.491 -2.641 5.966 1.00 0.00 C ATOM 762 C GLY A 49 1.277 -3.793 5.446 1.00 0.00 C ATOM 763 O GLY A 49 1.328 -4.018 4.247 1.00 0.00 O ATOM 0 H GLY A 49 0.102 -2.120 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.316 -2.421 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.133 -1.761 5.998 1.00 0.00 H new ATOM 767 N SER A 50 1.856 -4.527 6.323 1.00 0.00 N ATOM 768 CA SER A 50 2.541 -5.715 5.936 1.00 0.00 C ATOM 769 C SER A 50 1.546 -6.848 5.746 1.00 0.00 C ATOM 770 O SER A 50 1.377 -7.347 4.640 1.00 0.00 O ATOM 771 CB SER A 50 3.615 -6.048 6.951 1.00 0.00 C ATOM 772 OG SER A 50 3.141 -5.758 8.268 1.00 0.00 O ATOM 0 H SER A 50 1.872 -4.328 7.323 1.00 0.00 H new ATOM 0 HA SER A 50 3.040 -5.561 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.886 -7.101 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.516 -5.471 6.743 1.00 0.00 H new ATOM 0 HG SER A 50 3.468 -4.877 8.547 1.00 0.00 H new ATOM 778 N ASP A 51 0.823 -7.173 6.812 1.00 0.00 N ATOM 779 CA ASP A 51 -0.165 -8.270 6.828 1.00 0.00 C ATOM 780 C ASP A 51 -1.153 -8.216 5.669 1.00 0.00 C ATOM 781 O ASP A 51 -1.533 -9.242 5.173 1.00 0.00 O ATOM 782 CB ASP A 51 -0.909 -8.360 8.173 1.00 0.00 C ATOM 783 CG ASP A 51 -0.014 -8.798 9.314 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.116 -10.020 9.564 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.591 -7.927 9.987 1.00 0.00 O ATOM 0 H ASP A 51 0.900 -6.683 7.703 1.00 0.00 H new ATOM 0 HA ASP A 51 0.420 -9.181 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.341 -7.387 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.738 -9.062 8.078 1.00 0.00 H new ATOM 790 N LEU A 52 -1.514 -7.013 5.212 1.00 0.00 N ATOM 791 CA LEU A 52 -2.428 -6.826 4.054 1.00 0.00 C ATOM 792 C LEU A 52 -1.901 -7.531 2.817 1.00 0.00 C ATOM 793 O LEU A 52 -2.649 -8.124 2.038 1.00 0.00 O ATOM 794 CB LEU A 52 -2.569 -5.331 3.691 1.00 0.00 C ATOM 795 CG LEU A 52 -3.122 -4.402 4.752 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.236 -3.004 4.187 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.467 -4.894 5.262 1.00 0.00 C ATOM 0 H LEU A 52 -1.189 -6.138 5.624 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.390 -7.243 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.586 -4.962 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.210 -5.257 2.812 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.438 -4.388 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.634 -2.335 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.251 -2.656 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.905 -3.013 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.841 -4.208 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.175 -4.939 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.351 -5.888 5.695 1.00 0.00 H new ATOM 809 N ILE A 53 -0.607 -7.475 2.660 1.00 0.00 N ATOM 810 CA ILE A 53 0.043 -7.985 1.473 1.00 0.00 C ATOM 811 C ILE A 53 0.255 -9.479 1.593 1.00 0.00 C ATOM 812 O ILE A 53 0.207 -10.220 0.614 1.00 0.00 O ATOM 813 CB ILE A 53 1.408 -7.290 1.298 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.216 -5.776 1.288 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.106 -7.753 0.023 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.502 -5.010 1.282 1.00 0.00 C ATOM 0 H ILE A 53 0.031 -7.076 3.348 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.590 -7.783 0.609 1.00 0.00 H new ATOM 0 HB ILE A 53 2.046 -7.564 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.633 -5.498 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.634 -5.486 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.066 -7.245 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.269 -8.830 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.483 -7.516 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.289 -3.941 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.078 -5.259 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.077 -5.271 0.394 1.00 0.00 H new ATOM 828 N TYR A 54 0.447 -9.909 2.792 1.00 0.00 N ATOM 829 CA TYR A 54 0.777 -11.276 3.060 1.00 0.00 C ATOM 830 C TYR A 54 -0.469 -12.142 3.282 1.00 0.00 C ATOM 831 O TYR A 54 -0.467 -13.328 2.956 1.00 0.00 O ATOM 832 CB TYR A 54 1.720 -11.350 4.268 1.00 0.00 C ATOM 833 CG TYR A 54 3.108 -10.748 4.049 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.277 -9.387 4.020 1.00 0.00 C ATOM 835 CD2 TYR A 54 4.239 -11.543 3.887 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.498 -8.804 3.836 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.494 -10.963 3.705 1.00 0.00 C ATOM 838 CZ TYR A 54 5.605 -9.583 3.678 1.00 0.00 C ATOM 839 OH TYR A 54 6.832 -8.972 3.526 1.00 0.00 O ATOM 0 H TYR A 54 0.380 -9.322 3.624 1.00 0.00 H new ATOM 0 HA TYR A 54 1.282 -11.679 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.249 -10.840 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.836 -12.395 4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.412 -8.753 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.144 -12.619 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.586 -7.728 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.370 -11.583 3.586 1.00 0.00 H new ATOM 0 HH TYR A 54 6.969 -8.744 2.583 1.00 0.00 H new ATOM 849 N TYR A 55 -1.520 -11.555 3.821 1.00 0.00 N ATOM 850 CA TYR A 55 -2.728 -12.272 4.142 1.00 0.00 C ATOM 851 C TYR A 55 -3.934 -11.422 3.759 1.00 0.00 C ATOM 852 O TYR A 55 -3.937 -10.211 3.973 1.00 0.00 O ATOM 853 CB TYR A 55 -2.816 -12.543 5.655 1.00 0.00 C ATOM 854 CG TYR A 55 -1.615 -13.222 6.263 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.453 -14.596 6.190 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.642 -12.478 6.913 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.352 -15.207 6.752 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.457 -13.080 7.475 1.00 0.00 C ATOM 859 CZ TYR A 55 0.598 -14.441 7.393 1.00 0.00 C ATOM 860 OH TYR A 55 1.696 -15.042 7.955 1.00 0.00 O ATOM 0 H TYR A 55 -1.555 -10.561 4.048 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.717 -13.215 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.974 -11.594 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.695 -13.159 5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.198 -15.195 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.750 -11.405 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.235 -16.279 6.690 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.205 -12.485 7.978 1.00 0.00 H new ATOM 0 HH TYR A 55 2.268 -14.360 8.366 1.00 0.00 H new ATOM 870 N PRO A 56 -4.948 -12.026 3.179 1.00 0.00 N ATOM 871 CA PRO A 56 -6.208 -11.341 2.874 1.00 0.00 C ATOM 872 C PRO A 56 -7.038 -11.140 4.150 1.00 0.00 C ATOM 873 O PRO A 56 -6.805 -11.834 5.174 1.00 0.00 O ATOM 874 CB PRO A 56 -6.923 -12.339 1.959 1.00 0.00 C ATOM 875 CG PRO A 56 -6.386 -13.665 2.367 1.00 0.00 C ATOM 876 CD PRO A 56 -4.955 -13.424 2.743 1.00 0.00 C ATOM 0 HA PRO A 56 -6.060 -10.355 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.004 -12.292 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.717 -12.133 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.948 -14.074 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.461 -14.385 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.631 -14.094 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.285 -13.585 1.898 1.00 0.00 H new ATOM 884 N ARG A 57 -7.981 -10.202 4.137 1.00 0.00 N ATOM 885 CA ARG A 57 -8.852 -10.077 5.294 1.00 0.00 C ATOM 886 C ARG A 57 -10.072 -10.987 5.143 1.00 0.00 C ATOM 887 O ARG A 57 -9.924 -12.199 4.991 1.00 0.00 O ATOM 888 CB ARG A 57 -9.317 -8.623 5.505 1.00 0.00 C ATOM 889 CG ARG A 57 -8.304 -7.664 6.093 1.00 0.00 C ATOM 890 CD ARG A 57 -7.955 -8.096 7.503 1.00 0.00 C ATOM 891 NE ARG A 57 -7.381 -7.022 8.304 1.00 0.00 N ATOM 892 CZ ARG A 57 -6.414 -7.178 9.208 1.00 0.00 C ATOM 893 NH1 ARG A 57 -5.687 -8.296 9.237 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.156 -6.203 10.058 1.00 0.00 N ATOM 0 H ARG A 57 -8.156 -9.547 3.375 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.275 -10.380 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.642 -8.227 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.191 -8.636 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.406 -7.643 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.708 -6.652 6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.853 -8.468 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.249 -8.925 7.458 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.747 -6.080 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.869 -9.040 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.949 -8.407 9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.695 -5.338 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.418 -6.314 10.753 1.00 0.00 H new ATOM 908 N ASP A 58 -11.255 -10.412 5.126 1.00 0.00 N ATOM 909 CA ASP A 58 -12.471 -11.185 4.931 1.00 0.00 C ATOM 910 C ASP A 58 -13.270 -10.672 3.758 1.00 0.00 C ATOM 911 O ASP A 58 -13.353 -11.288 2.704 1.00 0.00 O ATOM 912 CB ASP A 58 -13.340 -11.206 6.190 1.00 0.00 C ATOM 913 CG ASP A 58 -14.536 -12.117 6.029 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.379 -13.331 6.179 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.656 -11.640 5.745 1.00 0.00 O ATOM 0 H ASP A 58 -11.405 -9.410 5.245 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.160 -12.207 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.742 -11.537 7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.680 -10.195 6.414 1.00 0.00 H new ATOM 920 N ASP A 59 -13.800 -9.485 3.963 1.00 0.00 N ATOM 921 CA ASP A 59 -14.737 -8.826 3.050 1.00 0.00 C ATOM 922 C ASP A 59 -13.997 -8.095 1.944 1.00 0.00 C ATOM 923 O ASP A 59 -14.576 -7.749 0.894 1.00 0.00 O ATOM 924 CB ASP A 59 -15.628 -7.865 3.865 1.00 0.00 C ATOM 925 CG ASP A 59 -16.571 -7.014 3.037 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.618 -7.524 2.589 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.297 -5.799 2.854 1.00 0.00 O ATOM 0 H ASP A 59 -13.591 -8.928 4.791 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.365 -9.574 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.216 -8.450 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.987 -7.206 4.451 1.00 0.00 H new ATOM 932 N ARG A 60 -12.722 -7.860 2.183 1.00 0.00 N ATOM 933 CA ARG A 60 -11.851 -7.245 1.211 1.00 0.00 C ATOM 934 C ARG A 60 -11.727 -8.054 -0.022 1.00 0.00 C ATOM 935 O ARG A 60 -11.771 -9.301 0.003 1.00 0.00 O ATOM 936 CB ARG A 60 -10.446 -7.060 1.739 1.00 0.00 C ATOM 937 CG ARG A 60 -10.161 -5.786 2.496 1.00 0.00 C ATOM 938 CD ARG A 60 -10.195 -4.551 1.583 1.00 0.00 C ATOM 939 NE ARG A 60 -11.547 -4.065 1.294 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.203 -3.144 2.025 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.706 -2.720 3.191 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.385 -2.698 1.615 1.00 0.00 N ATOM 0 H ARG A 60 -12.262 -8.093 3.063 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.314 -6.282 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.216 -7.901 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.757 -7.114 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.894 -5.667 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.183 -5.858 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.623 -3.749 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.697 -4.792 0.644 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.025 -4.452 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.822 -3.094 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.211 -2.022 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.792 -3.053 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.886 -2.000 2.165 1.00 0.00 H new ATOM 956 N GLU A 61 -11.551 -7.360 -1.077 1.00 0.00 N ATOM 957 CA GLU A 61 -11.211 -7.950 -2.307 1.00 0.00 C ATOM 958 C GLU A 61 -9.766 -8.321 -2.171 1.00 0.00 C ATOM 959 O GLU A 61 -8.937 -7.480 -1.772 1.00 0.00 O ATOM 960 CB GLU A 61 -11.373 -6.943 -3.433 1.00 0.00 C ATOM 961 CG GLU A 61 -10.882 -7.430 -4.760 1.00 0.00 C ATOM 962 CD GLU A 61 -11.658 -8.585 -5.309 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.349 -9.732 -4.973 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.584 -8.356 -6.115 1.00 0.00 O ATOM 0 H GLU A 61 -11.641 -6.345 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.844 -8.807 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.427 -6.679 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.837 -6.031 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.920 -6.607 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.836 -7.721 -4.664 1.00 0.00 H new ATOM 971 N ASP A 62 -9.437 -9.532 -2.430 1.00 0.00 N ATOM 972 CA ASP A 62 -8.074 -9.888 -2.289 1.00 0.00 C ATOM 973 C ASP A 62 -7.382 -9.760 -3.586 1.00 0.00 C ATOM 974 O ASP A 62 -7.287 -10.697 -4.380 1.00 0.00 O ATOM 975 CB ASP A 62 -7.821 -11.226 -1.637 1.00 0.00 C ATOM 976 CG ASP A 62 -6.349 -11.378 -1.344 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.811 -10.591 -0.540 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.684 -12.251 -1.948 1.00 0.00 O ATOM 0 H ASP A 62 -10.069 -10.274 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.651 -9.177 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.396 -11.306 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.156 -12.030 -2.292 1.00 0.00 H new ATOM 983 N SER A 63 -6.992 -8.575 -3.832 1.00 0.00 N ATOM 984 CA SER A 63 -6.311 -8.218 -4.999 1.00 0.00 C ATOM 985 C SER A 63 -5.346 -7.139 -4.595 1.00 0.00 C ATOM 986 O SER A 63 -5.490 -6.591 -3.481 1.00 0.00 O ATOM 987 CB SER A 63 -7.331 -7.658 -5.999 1.00 0.00 C ATOM 988 OG SER A 63 -7.950 -6.480 -5.493 1.00 0.00 O ATOM 0 H SER A 63 -7.147 -7.794 -3.194 1.00 0.00 H new ATOM 0 HA SER A 63 -5.792 -9.059 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.835 -7.435 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.091 -8.411 -6.208 1.00 0.00 H new ATOM 0 HG SER A 63 -8.702 -6.232 -6.070 1.00 0.00 H new ATOM 994 N PRO A 64 -4.322 -6.844 -5.413 1.00 0.00 N ATOM 995 CA PRO A 64 -3.465 -5.686 -5.199 1.00 0.00 C ATOM 996 C PRO A 64 -4.326 -4.422 -4.940 1.00 0.00 C ATOM 997 O PRO A 64 -4.046 -3.641 -4.032 1.00 0.00 O ATOM 998 CB PRO A 64 -2.697 -5.595 -6.537 1.00 0.00 C ATOM 999 CG PRO A 64 -2.586 -7.005 -6.978 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.866 -7.668 -6.556 1.00 0.00 C ATOM 0 HA PRO A 64 -2.805 -5.766 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.235 -4.989 -7.266 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.716 -5.139 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.451 -7.067 -8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.724 -7.491 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.599 -7.676 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.703 -8.705 -6.263 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.408 -4.289 -5.702 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.345 -3.188 -5.550 1.00 0.00 C ATOM 1010 C GLU A 65 -7.016 -3.201 -4.169 1.00 0.00 C ATOM 1011 O GLU A 65 -7.067 -2.183 -3.489 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.427 -3.256 -6.616 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.428 -2.128 -6.513 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.592 -2.291 -7.419 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -10.561 -2.959 -7.026 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.582 -1.723 -8.521 1.00 0.00 O ATOM 0 H GLU A 65 -5.657 -4.945 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.772 -2.267 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.961 -3.232 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.951 -4.208 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.784 -2.060 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.928 -1.186 -6.741 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.536 -4.351 -3.780 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.231 -4.481 -2.505 1.00 0.00 C ATOM 1025 C GLY A 66 -7.334 -4.188 -1.322 1.00 0.00 C ATOM 1026 O GLY A 66 -7.776 -3.612 -0.328 1.00 0.00 O ATOM 0 H GLY A 66 -7.492 -5.211 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.082 -3.801 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.629 -5.492 -2.413 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.075 -4.566 -1.439 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.069 -4.270 -0.420 1.00 0.00 C ATOM 1032 C ILE A 67 -4.941 -2.750 -0.255 1.00 0.00 C ATOM 1033 O ILE A 67 -4.901 -2.223 0.866 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.708 -4.903 -0.815 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.823 -6.436 -0.769 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.566 -4.400 0.073 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.610 -7.170 -1.287 1.00 0.00 C ATOM 0 H ILE A 67 -5.715 -5.086 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.377 -4.700 0.533 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.465 -4.596 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.006 -6.743 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.693 -6.740 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.631 -4.867 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.480 -3.318 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.773 -4.656 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.778 -8.245 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.436 -6.896 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.739 -6.900 -0.690 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.935 -2.065 -1.379 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.904 -0.618 -1.414 1.00 0.00 C ATOM 1051 C VAL A 68 -6.170 -0.064 -0.827 1.00 0.00 C ATOM 1052 O VAL A 68 -6.135 0.854 -0.022 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.768 -0.109 -2.858 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.919 1.416 -2.946 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.448 -0.524 -3.398 1.00 0.00 C ATOM 0 H VAL A 68 -4.952 -2.500 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.044 -0.286 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.571 -0.547 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.816 1.733 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.901 1.706 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.147 1.893 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.345 -0.166 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.654 -0.100 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.375 -1.611 -3.385 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.281 -0.648 -1.221 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.579 -0.197 -0.808 1.00 0.00 C ATOM 1067 C LYS A 69 -8.737 -0.248 0.708 1.00 0.00 C ATOM 1068 O LYS A 69 -9.353 0.634 1.291 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.669 -0.974 -1.532 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.036 -0.321 -1.418 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.825 -0.432 -2.714 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.164 0.367 -3.841 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.972 0.349 -5.079 1.00 0.00 N ATOM 0 H LYS A 69 -7.302 -1.456 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.683 0.851 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.403 -1.067 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.719 -1.984 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.597 -0.790 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.916 0.730 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.903 -1.479 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.840 -0.069 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.019 1.398 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.176 -0.045 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.489 0.901 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.090 -0.632 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.906 0.766 -4.890 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.126 -1.244 1.339 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.126 -1.356 2.795 1.00 0.00 C ATOM 1089 C GLU A 70 -7.447 -0.113 3.402 1.00 0.00 C ATOM 1090 O GLU A 70 -8.006 0.547 4.278 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.393 -2.639 3.219 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.411 -2.937 4.714 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.802 -3.023 5.304 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.702 -3.609 4.691 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.020 -2.470 6.396 1.00 0.00 O ATOM 0 H GLU A 70 -7.621 -1.991 0.862 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.151 -1.410 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.838 -3.483 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.356 -2.570 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.892 -3.878 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.852 -2.160 5.236 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.273 0.218 2.869 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.488 1.391 3.274 1.00 0.00 C ATOM 1104 C ILE A 71 -6.235 2.693 2.970 1.00 0.00 C ATOM 1105 O ILE A 71 -6.240 3.647 3.767 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.122 1.388 2.523 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.249 0.304 3.099 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.406 2.736 2.606 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.998 0.067 2.341 1.00 0.00 C ATOM 0 H ILE A 71 -5.829 -0.328 2.131 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.324 1.335 4.350 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.319 1.199 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.995 0.565 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.819 -0.624 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.460 2.679 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.032 3.509 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.214 2.982 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.427 -0.728 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.241 -0.227 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.404 0.981 2.324 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.841 2.718 1.819 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.536 3.837 1.285 1.00 0.00 C ATOM 1123 C LYS A 72 -8.756 4.177 2.152 1.00 0.00 C ATOM 1124 O LYS A 72 -8.848 5.285 2.672 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.870 3.454 -0.174 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.522 4.465 -1.089 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.919 4.728 -0.709 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.649 5.333 -1.842 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.063 5.569 -1.524 1.00 0.00 N ATOM 0 H LYS A 72 -6.860 1.909 1.198 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.947 4.754 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.940 3.140 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.521 2.581 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.957 5.397 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.487 4.101 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.403 3.799 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.950 5.396 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.177 6.277 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.577 4.678 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.611 5.632 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.425 4.783 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.156 6.459 -0.994 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.636 3.211 2.351 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.862 3.429 3.120 1.00 0.00 C ATOM 1145 C GLU A 73 -10.543 3.759 4.585 1.00 0.00 C ATOM 1146 O GLU A 73 -11.213 4.588 5.204 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.773 2.197 3.048 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.264 1.831 1.641 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.142 2.888 1.009 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.288 3.092 1.475 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.738 3.499 -0.001 1.00 0.00 O ATOM 0 H GLU A 73 -9.529 2.262 1.992 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.383 4.279 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.237 1.343 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.640 2.368 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.401 1.657 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.818 0.894 1.692 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.504 3.130 5.107 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.081 3.310 6.491 1.00 0.00 C ATOM 1160 C TRP A 74 -8.598 4.750 6.718 1.00 0.00 C ATOM 1161 O TRP A 74 -9.161 5.482 7.535 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.977 2.296 6.776 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.450 2.208 8.177 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.025 1.586 9.240 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.209 2.711 8.634 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.196 1.651 10.329 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.071 2.344 9.984 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.202 3.429 8.022 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.944 2.677 10.733 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.092 3.776 8.743 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.960 3.396 10.090 1.00 0.00 C ATOM 0 H TRP A 74 -8.925 2.475 4.582 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.913 3.143 7.175 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.348 1.310 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.138 2.520 6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.994 1.110 9.228 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.388 1.248 11.246 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.289 3.714 6.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.846 2.385 11.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.307 4.349 8.271 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.068 3.674 10.632 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.619 5.181 5.927 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.034 6.522 6.070 1.00 0.00 C ATOM 1184 C ARG A 75 -8.048 7.617 5.846 1.00 0.00 C ATOM 1185 O ARG A 75 -8.009 8.657 6.520 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.862 6.690 5.135 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.553 6.155 5.680 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.661 5.655 4.576 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.453 6.642 3.517 1.00 0.00 N ATOM 1190 CZ ARG A 75 -4.031 6.606 2.295 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.973 5.713 2.019 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.705 7.489 1.379 1.00 0.00 N ATOM 0 H ARG A 75 -7.210 4.624 5.177 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.686 6.611 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.085 6.185 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.742 7.749 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.041 6.940 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.753 5.346 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.696 5.373 4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.097 4.754 4.145 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.822 7.419 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.267 5.045 2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.403 5.694 1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.012 8.208 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.145 7.456 0.459 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.974 7.367 4.948 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.015 8.320 4.630 1.00 0.00 C ATOM 1208 C ALA A 76 -10.997 8.492 5.793 1.00 0.00 C ATOM 1209 O ALA A 76 -11.620 9.542 5.941 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.749 7.883 3.376 1.00 0.00 C ATOM 0 H ALA A 76 -9.027 6.498 4.417 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.545 9.287 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.531 8.605 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.047 7.827 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.197 6.903 3.539 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.121 7.469 6.627 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.047 7.509 7.737 1.00 0.00 C ATOM 1218 C ALA A 77 -11.398 8.204 8.886 1.00 0.00 C ATOM 1219 O ALA A 77 -12.033 8.908 9.657 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.483 6.113 8.137 1.00 0.00 C ATOM 0 H ALA A 77 -10.589 6.602 6.551 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.940 8.056 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.179 6.175 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.973 5.629 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.611 5.530 8.433 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.107 7.995 8.982 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.316 8.533 10.041 1.00 0.00 C ATOM 1228 C ASN A 78 -9.080 10.016 9.841 1.00 0.00 C ATOM 1229 O ASN A 78 -9.193 10.810 10.776 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.958 7.850 10.090 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.952 6.336 10.214 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.996 5.706 9.774 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.963 5.750 10.804 1.00 0.00 N ATOM 0 H ASN A 78 -9.577 7.437 8.312 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.861 8.364 10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.411 8.118 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.402 8.261 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.973 4.736 10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.740 6.308 11.157 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.759 10.382 8.622 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.415 11.746 8.322 1.00 0.00 C ATOM 1242 C GLY A 79 -6.925 11.869 8.090 1.00 0.00 C ATOM 1243 O GLY A 79 -6.287 12.839 8.514 1.00 0.00 O ATOM 0 H GLY A 79 -8.730 9.750 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.957 12.079 7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.717 12.394 9.144 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.376 10.873 7.434 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.980 10.809 7.130 1.00 0.00 C ATOM 1249 C LYS A 80 -4.722 11.283 5.710 1.00 0.00 C ATOM 1250 O LYS A 80 -5.658 11.701 5.013 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.498 9.381 7.319 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.346 8.973 8.773 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.842 7.554 8.888 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.595 7.139 10.338 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.823 7.126 11.163 1.00 0.00 N ATOM 0 H LYS A 80 -6.906 10.071 7.093 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.429 11.466 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.200 8.703 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.539 9.262 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.654 9.650 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.306 9.064 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.567 6.876 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.916 7.453 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.146 6.146 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.873 7.822 10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.581 6.870 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.260 8.070 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.493 6.429 10.778 1.00 0.00 H new ATOM 1269 N SER A 81 -3.472 11.230 5.295 1.00 0.00 N ATOM 1270 CA SER A 81 -3.062 11.621 3.988 1.00 0.00 C ATOM 1271 C SER A 81 -3.757 10.743 2.925 1.00 0.00 C ATOM 1272 O SER A 81 -4.104 9.598 3.204 1.00 0.00 O ATOM 1273 CB SER A 81 -1.562 11.451 3.938 1.00 0.00 C ATOM 1274 OG SER A 81 -0.918 12.224 4.953 1.00 0.00 O ATOM 0 H SER A 81 -2.705 10.904 5.882 1.00 0.00 H new ATOM 0 HA SER A 81 -3.338 12.654 3.776 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.309 10.398 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.192 11.753 2.958 1.00 0.00 H new ATOM 0 HG SER A 81 0.052 12.093 4.898 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.932 11.267 1.723 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.652 10.536 0.689 1.00 0.00 C ATOM 1282 C GLY A 82 -3.735 10.151 -0.441 1.00 0.00 C ATOM 1283 O GLY A 82 -2.563 9.847 -0.199 1.00 0.00 O ATOM 0 H GLY A 82 -3.590 12.185 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.101 9.640 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.468 11.150 0.307 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.257 10.088 -1.638 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.486 9.906 -2.819 1.00 0.00 C ATOM 1289 C PHE A 83 -3.803 11.073 -3.721 1.00 0.00 C ATOM 1290 O PHE A 83 -4.664 11.894 -3.396 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.894 8.640 -3.567 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.958 7.378 -2.754 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.827 6.876 -2.149 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.157 6.692 -2.599 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.884 5.719 -1.408 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.214 5.532 -1.860 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.077 5.045 -1.263 1.00 0.00 C ATOM 0 H PHE A 83 -5.259 10.165 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.432 9.832 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.873 8.808 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.191 8.485 -4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.887 7.396 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.054 7.073 -3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.990 5.337 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.151 5.006 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.118 4.136 -0.681 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.132 11.162 -4.812 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.443 12.138 -5.794 1.00 0.00 C ATOM 1309 C LYS A 84 -4.355 11.475 -6.808 1.00 0.00 C ATOM 1310 O LYS A 84 -4.091 10.363 -7.260 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.154 12.666 -6.401 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.293 13.817 -7.376 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.933 14.469 -7.618 1.00 0.00 C ATOM 1314 CE LYS A 84 0.056 13.568 -8.352 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.287 13.422 -9.771 1.00 0.00 N ATOM 0 H LYS A 84 -2.347 10.556 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.961 13.002 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.498 12.982 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.654 11.843 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.705 13.457 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.993 14.554 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.075 15.383 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.504 14.760 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.060 13.982 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.072 12.586 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.513 12.994 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.124 12.812 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.494 14.357 -10.176 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.430 12.129 -7.131 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.469 11.530 -7.988 1.00 0.00 C ATOM 1331 C GLN A 85 -6.256 11.820 -9.457 1.00 0.00 C ATOM 1332 O GLN A 85 -7.123 11.550 -10.301 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.905 11.910 -7.559 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.210 13.405 -7.551 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.627 14.136 -6.360 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.504 13.580 -5.266 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.217 15.342 -6.570 1.00 0.00 N ATOM 0 H GLN A 85 -5.632 13.081 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.363 10.455 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.609 11.416 -8.229 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.084 11.514 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.822 13.851 -8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.291 13.547 -7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.336 15.768 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.774 15.868 -5.817 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.120 12.297 -9.754 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.756 12.603 -11.082 1.00 0.00 C ATOM 1348 C GLY A 86 -3.334 12.277 -11.223 1.00 0.00 C ATOM 1349 O GLY A 86 -2.623 12.433 -10.237 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.914 11.766 -12.267 1.00 0.00 O ATOM 0 H GLY A 86 -4.392 12.493 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.355 12.028 -11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.933 13.657 -11.297 1.00 0.00 H new