USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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= 0.663 K(o=1.9,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -172:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 165:sc= 1.58 (180deg=0.414) USER MOD Set 2.2: A 10 TYR OH : rot 30:sc= 0.393 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=2.3,f=2.1) USER MOD Set 3.2: A 6 SER OG : rot 134:sc= 1.24 USER MOD Set 3.3: A 8 SER OG : rot 180:sc= 1.03 USER MOD Single : A 11 THR OG1 : rot -120:sc= -0.568 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0204) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -164:sc= -1.05! USER MOD Single : A 46 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.783 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.15) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -174:sc=-0.00466 (180deg=-0.0392) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.11 F(o=-2.6!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.230 9.383 -9.645 1.00 0.00 N ATOM 2 CA GLU A 2 11.518 8.569 -8.477 1.00 0.00 C ATOM 3 C GLU A 2 11.636 9.480 -7.280 1.00 0.00 C ATOM 4 O GLU A 2 11.927 10.668 -7.451 1.00 0.00 O ATOM 5 CB GLU A 2 12.829 7.785 -8.669 1.00 0.00 C ATOM 6 CG GLU A 2 12.850 6.901 -9.910 1.00 0.00 C ATOM 7 CD GLU A 2 11.696 5.932 -9.954 1.00 0.00 C ATOM 8 OE1 GLU A 2 10.609 6.318 -10.431 1.00 0.00 O ATOM 9 OE2 GLU A 2 11.852 4.781 -9.521 1.00 0.00 O ATOM 0 HA GLU A 2 10.714 7.849 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.657 8.491 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.000 7.163 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.825 7.530 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.787 6.345 -9.939 1.00 0.00 H new ATOM 16 N LEU A 3 11.409 8.925 -6.089 1.00 0.00 N ATOM 17 CA LEU A 3 11.473 9.646 -4.816 1.00 0.00 C ATOM 18 C LEU A 3 10.345 10.651 -4.640 1.00 0.00 C ATOM 19 O LEU A 3 10.335 11.735 -5.229 1.00 0.00 O ATOM 20 CB LEU A 3 12.851 10.283 -4.543 1.00 0.00 C ATOM 21 CG LEU A 3 14.016 9.307 -4.339 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.311 10.068 -4.102 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.731 8.361 -3.169 1.00 0.00 C ATOM 0 H LEU A 3 11.170 7.939 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 3 11.330 8.879 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.096 10.941 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.769 10.910 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 3 14.124 8.710 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.128 9.361 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.525 10.700 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.210 10.690 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.570 7.677 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.594 8.942 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.826 7.790 -3.375 1.00 0.00 H new ATOM 35 N LYS A 4 9.378 10.260 -3.872 1.00 0.00 N ATOM 36 CA LYS A 4 8.265 11.120 -3.525 1.00 0.00 C ATOM 37 C LYS A 4 8.546 11.930 -2.270 1.00 0.00 C ATOM 38 O LYS A 4 9.555 11.721 -1.603 1.00 0.00 O ATOM 39 CB LYS A 4 6.968 10.320 -3.344 1.00 0.00 C ATOM 40 CG LYS A 4 7.078 8.973 -2.649 1.00 0.00 C ATOM 41 CD LYS A 4 7.786 8.923 -1.321 1.00 0.00 C ATOM 42 CE LYS A 4 7.752 7.496 -0.773 1.00 0.00 C ATOM 43 NZ LYS A 4 8.356 6.494 -1.704 1.00 0.00 N ATOM 0 H LYS A 4 9.328 9.329 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 4 8.137 11.810 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.267 10.935 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.530 10.158 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.069 8.587 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.588 8.288 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.818 9.255 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.308 9.605 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.284 7.466 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.718 7.216 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.536 5.608 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.700 6.311 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.252 6.865 -2.080 1.00 0.00 H new ATOM 57 N HIS A 5 7.649 12.842 -1.957 1.00 0.00 N ATOM 58 CA HIS A 5 7.741 13.599 -0.721 1.00 0.00 C ATOM 59 C HIS A 5 6.766 13.006 0.298 1.00 0.00 C ATOM 60 O HIS A 5 6.878 13.244 1.500 1.00 0.00 O ATOM 61 CB HIS A 5 7.448 15.116 -0.948 1.00 0.00 C ATOM 62 CG HIS A 5 6.015 15.464 -1.298 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.483 15.380 -2.560 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.002 15.889 -0.498 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.201 15.734 -2.495 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.855 16.059 -1.266 1.00 0.00 N ATOM 0 H HIS A 5 6.847 13.079 -2.540 1.00 0.00 H new ATOM 0 HA HIS A 5 8.760 13.527 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.724 15.660 -0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.096 15.477 -1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.076 16.066 0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.531 15.752 -3.342 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.938 16.370 -0.945 1.00 0.00 H new ATOM 74 N SER A 6 5.806 12.237 -0.207 1.00 0.00 N ATOM 75 CA SER A 6 4.792 11.620 0.609 1.00 0.00 C ATOM 76 C SER A 6 4.116 10.524 -0.193 1.00 0.00 C ATOM 77 O SER A 6 4.424 10.331 -1.370 1.00 0.00 O ATOM 78 CB SER A 6 3.743 12.667 0.980 1.00 0.00 C ATOM 79 OG SER A 6 3.143 13.193 -0.200 1.00 0.00 O ATOM 0 H SER A 6 5.718 12.029 -1.202 1.00 0.00 H new ATOM 0 HA SER A 6 5.245 11.206 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.980 12.220 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.206 13.471 1.552 1.00 0.00 H new ATOM 0 HG SER A 6 2.169 13.215 -0.090 1.00 0.00 H new ATOM 85 N ILE A 7 3.195 9.822 0.430 1.00 0.00 N ATOM 86 CA ILE A 7 2.381 8.831 -0.266 1.00 0.00 C ATOM 87 C ILE A 7 1.386 9.524 -1.193 1.00 0.00 C ATOM 88 O ILE A 7 1.032 9.002 -2.233 1.00 0.00 O ATOM 89 CB ILE A 7 1.637 7.914 0.729 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.674 6.953 0.023 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.933 8.714 1.814 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.033 6.021 0.969 1.00 0.00 C ATOM 0 H ILE A 7 2.985 9.915 1.424 1.00 0.00 H new ATOM 0 HA ILE A 7 3.048 8.207 -0.861 1.00 0.00 H new ATOM 0 HB ILE A 7 2.395 7.301 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.067 7.532 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.229 6.366 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.421 8.033 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.667 9.298 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.206 9.385 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.699 5.368 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.702 5.418 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.614 6.602 1.685 1.00 0.00 H new ATOM 104 N SER A 8 1.006 10.734 -0.833 1.00 0.00 N ATOM 105 CA SER A 8 0.049 11.492 -1.585 1.00 0.00 C ATOM 106 C SER A 8 0.669 12.076 -2.871 1.00 0.00 C ATOM 107 O SER A 8 -0.008 12.717 -3.677 1.00 0.00 O ATOM 108 CB SER A 8 -0.586 12.547 -0.670 1.00 0.00 C ATOM 109 OG SER A 8 0.413 13.289 0.034 1.00 0.00 O ATOM 0 H SER A 8 1.359 11.214 -0.005 1.00 0.00 H new ATOM 0 HA SER A 8 -0.749 10.837 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.197 13.227 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.252 12.061 0.043 1.00 0.00 H new ATOM 0 HG SER A 8 -0.019 13.955 0.608 1.00 0.00 H new ATOM 115 N ASP A 9 1.974 11.865 -3.042 1.00 0.00 N ATOM 116 CA ASP A 9 2.645 12.218 -4.290 1.00 0.00 C ATOM 117 C ASP A 9 2.288 11.165 -5.326 1.00 0.00 C ATOM 118 O ASP A 9 2.188 11.452 -6.517 1.00 0.00 O ATOM 119 CB ASP A 9 4.165 12.289 -4.107 1.00 0.00 C ATOM 120 CG ASP A 9 4.914 12.730 -5.366 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.987 13.945 -5.629 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.483 11.885 -6.078 1.00 0.00 O ATOM 0 H ASP A 9 2.584 11.454 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 9 2.315 13.205 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.393 12.982 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.532 11.309 -3.801 1.00 0.00 H new ATOM 127 N TYR A 10 2.056 9.948 -4.845 1.00 0.00 N ATOM 128 CA TYR A 10 1.620 8.850 -5.677 1.00 0.00 C ATOM 129 C TYR A 10 0.152 8.997 -5.932 1.00 0.00 C ATOM 130 O TYR A 10 -0.606 9.406 -5.045 1.00 0.00 O ATOM 131 CB TYR A 10 1.789 7.482 -4.979 1.00 0.00 C ATOM 132 CG TYR A 10 3.189 6.961 -4.786 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.781 6.156 -5.748 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.902 7.223 -3.633 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.044 5.638 -5.561 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.148 6.715 -3.456 1.00 0.00 C ATOM 137 CZ TYR A 10 5.720 5.929 -4.405 1.00 0.00 C ATOM 138 OH TYR A 10 6.984 5.438 -4.189 1.00 0.00 O ATOM 0 H TYR A 10 2.168 9.702 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 10 2.223 8.879 -6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.317 7.546 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.232 6.742 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.244 5.932 -6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.463 7.840 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.495 5.011 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.691 6.938 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 10 7.443 5.328 -5.048 1.00 0.00 H new ATOM 148 N THR A 11 -0.261 8.692 -7.113 1.00 0.00 N ATOM 149 CA THR A 11 -1.657 8.613 -7.390 1.00 0.00 C ATOM 150 C THR A 11 -2.133 7.273 -6.842 1.00 0.00 C ATOM 151 O THR A 11 -1.285 6.415 -6.482 1.00 0.00 O ATOM 152 CB THR A 11 -1.920 8.705 -8.905 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.191 7.683 -9.571 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.488 10.059 -9.452 1.00 0.00 C ATOM 0 H THR A 11 0.348 8.492 -7.906 1.00 0.00 H new ATOM 0 HA THR A 11 -2.194 9.440 -6.925 1.00 0.00 H new ATOM 0 HB THR A 11 -2.989 8.583 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.568 8.089 -10.209 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.684 10.098 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.048 10.849 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.422 10.200 -9.273 1.00 0.00 H new ATOM 162 N GLU A 12 -3.432 7.056 -6.776 1.00 0.00 N ATOM 163 CA GLU A 12 -3.932 5.809 -6.236 1.00 0.00 C ATOM 164 C GLU A 12 -3.457 4.667 -7.115 1.00 0.00 C ATOM 165 O GLU A 12 -3.052 3.637 -6.623 1.00 0.00 O ATOM 166 CB GLU A 12 -5.452 5.795 -6.125 1.00 0.00 C ATOM 167 CG GLU A 12 -5.973 4.602 -5.333 1.00 0.00 C ATOM 168 CD GLU A 12 -7.466 4.539 -5.285 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.105 5.546 -4.923 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.039 3.498 -5.638 1.00 0.00 O ATOM 0 H GLU A 12 -4.148 7.714 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.542 5.695 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.786 6.716 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.885 5.779 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.590 3.683 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.584 4.650 -4.316 1.00 0.00 H new ATOM 177 N ALA A 13 -3.435 4.913 -8.415 1.00 0.00 N ATOM 178 CA ALA A 13 -2.991 3.936 -9.394 1.00 0.00 C ATOM 179 C ALA A 13 -1.520 3.551 -9.178 1.00 0.00 C ATOM 180 O ALA A 13 -1.179 2.371 -9.210 1.00 0.00 O ATOM 181 CB ALA A 13 -3.212 4.464 -10.803 1.00 0.00 C ATOM 0 H ALA A 13 -3.727 5.802 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.586 3.033 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.875 3.722 -11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.273 4.663 -10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.647 5.386 -10.939 1.00 0.00 H new ATOM 187 N GLU A 14 -0.664 4.538 -8.926 1.00 0.00 N ATOM 188 CA GLU A 14 0.775 4.287 -8.698 1.00 0.00 C ATOM 189 C GLU A 14 1.004 3.588 -7.373 1.00 0.00 C ATOM 190 O GLU A 14 1.928 2.785 -7.233 1.00 0.00 O ATOM 191 CB GLU A 14 1.566 5.577 -8.730 1.00 0.00 C ATOM 192 CG GLU A 14 1.524 6.296 -10.049 1.00 0.00 C ATOM 193 CD GLU A 14 2.081 7.677 -9.933 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.421 8.523 -9.308 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.161 7.956 -10.491 1.00 0.00 O ATOM 0 H GLU A 14 -0.932 5.521 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 14 1.121 3.640 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.186 6.242 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.605 5.359 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.092 5.734 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.495 6.345 -10.406 1.00 0.00 H new ATOM 202 N PHE A 15 0.176 3.890 -6.405 1.00 0.00 N ATOM 203 CA PHE A 15 0.250 3.226 -5.125 1.00 0.00 C ATOM 204 C PHE A 15 -0.309 1.845 -5.259 1.00 0.00 C ATOM 205 O PHE A 15 0.118 0.944 -4.624 1.00 0.00 O ATOM 206 CB PHE A 15 -0.472 3.999 -4.040 1.00 0.00 C ATOM 207 CG PHE A 15 -0.349 3.369 -2.682 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.735 3.656 -1.876 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.325 2.497 -2.208 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.849 3.089 -0.629 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.218 1.938 -0.962 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.128 2.233 -0.172 1.00 0.00 C ATOM 0 H PHE A 15 -0.559 4.593 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 15 1.296 3.172 -4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.075 5.013 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.527 4.080 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.500 4.332 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.176 2.259 -2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.704 3.315 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.985 1.269 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.040 1.791 0.809 1.00 0.00 H new ATOM 222 N LEU A 16 -1.258 1.690 -6.090 1.00 0.00 N ATOM 223 CA LEU A 16 -1.826 0.395 -6.347 1.00 0.00 C ATOM 224 C LEU A 16 -0.820 -0.452 -7.098 1.00 0.00 C ATOM 225 O LEU A 16 -0.849 -1.678 -7.070 1.00 0.00 O ATOM 226 CB LEU A 16 -3.154 0.584 -7.063 1.00 0.00 C ATOM 227 CG LEU A 16 -4.028 -0.606 -7.176 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.474 -0.171 -7.163 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.771 -1.340 -8.435 1.00 0.00 C ATOM 0 H LEU A 16 -1.679 2.450 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.043 -0.149 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.710 1.366 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.948 0.951 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.815 -1.262 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.118 -1.046 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.689 0.350 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.660 0.498 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.427 -2.209 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.964 -0.685 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.732 -1.668 -8.459 1.00 0.00 H new ATOM 241 N GLU A 17 0.074 0.209 -7.724 1.00 0.00 N ATOM 242 CA GLU A 17 1.190 -0.445 -8.299 1.00 0.00 C ATOM 243 C GLU A 17 2.203 -0.831 -7.211 1.00 0.00 C ATOM 244 O GLU A 17 3.015 -1.682 -7.458 1.00 0.00 O ATOM 245 CB GLU A 17 1.912 0.386 -9.340 1.00 0.00 C ATOM 246 CG GLU A 17 1.186 0.662 -10.616 1.00 0.00 C ATOM 247 CD GLU A 17 2.081 1.400 -11.581 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.072 0.808 -12.056 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.812 2.573 -11.903 1.00 0.00 O ATOM 0 H GLU A 17 0.057 1.220 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 17 0.786 -1.327 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.174 1.342 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.847 -0.118 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.853 -0.275 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.293 1.253 -10.413 1.00 0.00 H new ATOM 256 N PHE A 18 2.158 -0.171 -6.010 1.00 0.00 N ATOM 257 CA PHE A 18 3.100 -0.478 -4.877 1.00 0.00 C ATOM 258 C PHE A 18 3.018 -1.935 -4.593 1.00 0.00 C ATOM 259 O PHE A 18 4.003 -2.655 -4.602 1.00 0.00 O ATOM 260 CB PHE A 18 2.785 0.356 -3.522 1.00 0.00 C ATOM 261 CG PHE A 18 2.066 -0.389 -2.308 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.675 -0.574 -2.251 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.806 -0.896 -1.248 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.070 -1.239 -1.174 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.201 -1.552 -0.187 1.00 0.00 C ATOM 266 CZ PHE A 18 0.838 -1.723 -0.152 1.00 0.00 C ATOM 0 H PHE A 18 1.488 0.569 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 18 4.100 -0.179 -5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.730 0.753 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.167 1.210 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.058 -0.196 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.879 -0.776 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.002 -1.368 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.808 -1.933 0.621 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.376 -2.237 0.678 1.00 0.00 H new ATOM 276 N VAL A 19 1.815 -2.356 -4.441 1.00 0.00 N ATOM 277 CA VAL A 19 1.505 -3.681 -4.058 1.00 0.00 C ATOM 278 C VAL A 19 1.755 -4.653 -5.193 1.00 0.00 C ATOM 279 O VAL A 19 2.291 -5.739 -4.978 1.00 0.00 O ATOM 280 CB VAL A 19 0.061 -3.763 -3.497 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.973 -3.294 -4.491 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.249 -5.127 -2.933 1.00 0.00 C ATOM 0 H VAL A 19 0.994 -1.767 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 19 2.175 -3.979 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 19 0.009 -3.064 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.966 -3.372 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.776 -2.256 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.925 -3.915 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.270 -5.139 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.146 -5.877 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.444 -5.352 -2.122 1.00 0.00 H new ATOM 292 N LYS A 20 1.417 -4.238 -6.403 1.00 0.00 N ATOM 293 CA LYS A 20 1.668 -5.063 -7.557 1.00 0.00 C ATOM 294 C LYS A 20 3.170 -5.239 -7.743 1.00 0.00 C ATOM 295 O LYS A 20 3.641 -6.300 -8.108 1.00 0.00 O ATOM 296 CB LYS A 20 1.043 -4.482 -8.820 1.00 0.00 C ATOM 297 CG LYS A 20 -0.458 -4.401 -8.740 1.00 0.00 C ATOM 298 CD LYS A 20 -1.081 -4.203 -10.090 1.00 0.00 C ATOM 299 CE LYS A 20 -2.584 -4.160 -10.004 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.240 -4.323 -11.320 1.00 0.00 N ATOM 0 H LYS A 20 0.973 -3.342 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 20 1.203 -6.034 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.448 -3.485 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.325 -5.096 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.847 -5.315 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.743 -3.578 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.714 -3.275 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.777 -5.012 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.927 -4.947 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.891 -3.210 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.272 -4.285 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.937 -3.558 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.972 -5.240 -11.730 1.00 0.00 H new ATOM 314 N LYS A 21 3.910 -4.175 -7.443 1.00 0.00 N ATOM 315 CA LYS A 21 5.358 -4.155 -7.507 1.00 0.00 C ATOM 316 C LYS A 21 5.909 -5.145 -6.523 1.00 0.00 C ATOM 317 O LYS A 21 6.668 -5.975 -6.889 1.00 0.00 O ATOM 318 CB LYS A 21 5.909 -2.748 -7.191 1.00 0.00 C ATOM 319 CG LYS A 21 7.426 -2.608 -7.287 1.00 0.00 C ATOM 320 CD LYS A 21 7.891 -1.221 -6.833 1.00 0.00 C ATOM 321 CE LYS A 21 7.310 -0.093 -7.692 1.00 0.00 C ATOM 322 NZ LYS A 21 7.777 -0.151 -9.096 1.00 0.00 N ATOM 0 H LYS A 21 3.506 -3.288 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 21 5.665 -4.421 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.450 -2.034 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.597 -2.471 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.903 -3.372 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.744 -2.781 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.601 -1.067 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.979 -1.177 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.222 -0.149 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.588 0.868 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.397 0.661 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.816 -0.122 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.446 -1.034 -9.536 1.00 0.00 H new ATOM 336 N ILE A 22 5.471 -5.070 -5.281 1.00 0.00 N ATOM 337 CA ILE A 22 5.944 -5.989 -4.235 1.00 0.00 C ATOM 338 C ILE A 22 5.624 -7.437 -4.635 1.00 0.00 C ATOM 339 O ILE A 22 6.417 -8.354 -4.430 1.00 0.00 O ATOM 340 CB ILE A 22 5.282 -5.666 -2.865 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.509 -4.193 -2.516 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.868 -6.557 -1.773 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.821 -3.732 -1.267 1.00 0.00 C ATOM 0 H ILE A 22 4.787 -4.385 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 22 7.022 -5.865 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 22 4.211 -5.857 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.580 -4.020 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.168 -3.579 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.396 -6.321 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.685 -7.603 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.942 -6.384 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.039 -2.677 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.745 -3.868 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.178 -4.315 -0.418 1.00 0.00 H new ATOM 355 N CYS A 23 4.477 -7.604 -5.249 1.00 0.00 N ATOM 356 CA CYS A 23 4.017 -8.883 -5.721 1.00 0.00 C ATOM 357 C CYS A 23 4.944 -9.432 -6.850 1.00 0.00 C ATOM 358 O CYS A 23 5.262 -10.611 -6.871 1.00 0.00 O ATOM 359 CB CYS A 23 2.559 -8.736 -6.217 1.00 0.00 C ATOM 360 SG CYS A 23 1.737 -10.256 -6.744 1.00 0.00 S ATOM 0 H CYS A 23 3.828 -6.840 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 23 4.050 -9.604 -4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.969 -8.287 -5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.550 -8.035 -7.052 1.00 0.00 H new ATOM 0 HG CYS A 23 0.526 -9.983 -7.130 1.00 0.00 H new ATOM 366 N ARG A 24 5.403 -8.559 -7.753 1.00 0.00 N ATOM 367 CA ARG A 24 6.209 -8.992 -8.912 1.00 0.00 C ATOM 368 C ARG A 24 7.736 -8.804 -8.740 1.00 0.00 C ATOM 369 O ARG A 24 8.539 -9.601 -9.223 1.00 0.00 O ATOM 370 CB ARG A 24 5.710 -8.320 -10.194 1.00 0.00 C ATOM 371 CG ARG A 24 5.796 -6.813 -10.245 1.00 0.00 C ATOM 372 CD ARG A 24 5.233 -6.341 -11.562 1.00 0.00 C ATOM 373 NE ARG A 24 5.300 -4.884 -11.761 1.00 0.00 N ATOM 374 CZ ARG A 24 5.095 -4.272 -12.946 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.818 -4.988 -14.039 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.158 -2.952 -13.031 1.00 0.00 N ATOM 0 H ARG A 24 5.235 -7.554 -7.709 1.00 0.00 H new ATOM 0 HA ARG A 24 6.064 -10.070 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.278 -8.722 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.670 -8.607 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.239 -6.374 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.832 -6.490 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.773 -6.832 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.193 -6.659 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 24 5.515 -4.300 -10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.760 -6.005 -13.982 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.664 -4.518 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.362 -2.397 -12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.003 -2.491 -13.927 1.00 0.00 H new ATOM 390 N ALA A 25 8.112 -7.793 -8.019 1.00 0.00 N ATOM 391 CA ALA A 25 9.498 -7.407 -7.791 1.00 0.00 C ATOM 392 C ALA A 25 9.998 -7.974 -6.476 1.00 0.00 C ATOM 393 O ALA A 25 10.943 -7.461 -5.907 1.00 0.00 O ATOM 394 CB ALA A 25 9.637 -5.887 -7.809 1.00 0.00 C ATOM 0 H ALA A 25 7.446 -7.180 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 25 10.109 -7.818 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.678 -5.615 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.317 -5.504 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.015 -5.455 -7.025 1.00 0.00 H new ATOM 400 N GLU A 26 9.333 -9.044 -6.027 1.00 0.00 N ATOM 401 CA GLU A 26 9.587 -9.777 -4.751 1.00 0.00 C ATOM 402 C GLU A 26 11.083 -10.044 -4.456 1.00 0.00 C ATOM 403 O GLU A 26 11.467 -10.287 -3.304 1.00 0.00 O ATOM 404 CB GLU A 26 8.836 -11.117 -4.796 1.00 0.00 C ATOM 405 CG GLU A 26 9.314 -12.067 -5.897 1.00 0.00 C ATOM 406 CD GLU A 26 8.477 -13.315 -5.999 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.788 -14.311 -5.331 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.491 -13.328 -6.772 1.00 0.00 O ATOM 0 H GLU A 26 8.564 -9.453 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 26 9.230 -9.134 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.943 -11.613 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.773 -10.921 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.296 -11.545 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.350 -12.345 -5.705 1.00 0.00 H new ATOM 415 N GLY A 27 11.896 -10.065 -5.485 1.00 0.00 N ATOM 416 CA GLY A 27 13.289 -10.268 -5.301 1.00 0.00 C ATOM 417 C GLY A 27 13.618 -11.712 -5.229 1.00 0.00 C ATOM 418 O GLY A 27 13.749 -12.377 -6.269 1.00 0.00 O ATOM 0 H GLY A 27 11.604 -9.943 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.837 -9.808 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.613 -9.773 -4.386 1.00 0.00 H new ATOM 422 N ALA A 28 13.699 -12.212 -4.018 1.00 0.00 N ATOM 423 CA ALA A 28 14.030 -13.592 -3.762 1.00 0.00 C ATOM 424 C ALA A 28 13.690 -13.929 -2.335 1.00 0.00 C ATOM 425 O ALA A 28 12.933 -14.855 -2.056 1.00 0.00 O ATOM 426 CB ALA A 28 15.510 -13.849 -4.006 1.00 0.00 C ATOM 0 H ALA A 28 13.535 -11.664 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 28 13.454 -14.220 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.735 -14.897 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.754 -13.617 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.103 -13.218 -3.344 1.00 0.00 H new ATOM 432 N THR A 29 14.234 -13.167 -1.437 1.00 0.00 N ATOM 433 CA THR A 29 14.014 -13.374 -0.040 1.00 0.00 C ATOM 434 C THR A 29 13.009 -12.325 0.440 1.00 0.00 C ATOM 435 O THR A 29 12.891 -11.260 -0.172 1.00 0.00 O ATOM 436 CB THR A 29 15.348 -13.237 0.709 1.00 0.00 C ATOM 437 OG1 THR A 29 16.391 -13.866 -0.072 1.00 0.00 O ATOM 438 CG2 THR A 29 15.288 -13.936 2.052 1.00 0.00 C ATOM 0 H THR A 29 14.846 -12.380 -1.654 1.00 0.00 H new ATOM 0 HA THR A 29 13.618 -14.371 0.151 1.00 0.00 H new ATOM 0 HB THR A 29 15.550 -12.177 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.247 -13.782 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.244 -13.825 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.499 -13.492 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.078 -14.995 1.902 1.00 0.00 H new ATOM 446 N GLU A 30 12.319 -12.624 1.521 1.00 0.00 N ATOM 447 CA GLU A 30 11.229 -11.798 2.050 1.00 0.00 C ATOM 448 C GLU A 30 11.705 -10.397 2.421 1.00 0.00 C ATOM 449 O GLU A 30 10.942 -9.435 2.370 1.00 0.00 O ATOM 450 CB GLU A 30 10.606 -12.494 3.253 1.00 0.00 C ATOM 451 CG GLU A 30 9.443 -11.755 3.882 1.00 0.00 C ATOM 452 CD GLU A 30 8.876 -12.478 5.064 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.189 -13.503 4.875 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.111 -12.047 6.213 1.00 0.00 O ATOM 0 H GLU A 30 12.496 -13.462 2.075 1.00 0.00 H new ATOM 0 HA GLU A 30 10.478 -11.680 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.267 -13.484 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.377 -12.641 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.772 -10.763 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.660 -11.614 3.137 1.00 0.00 H new ATOM 461 N GLU A 31 12.968 -10.296 2.779 1.00 0.00 N ATOM 462 CA GLU A 31 13.605 -9.031 3.100 1.00 0.00 C ATOM 463 C GLU A 31 13.501 -8.038 1.939 1.00 0.00 C ATOM 464 O GLU A 31 13.407 -6.824 2.156 1.00 0.00 O ATOM 465 CB GLU A 31 15.073 -9.250 3.473 1.00 0.00 C ATOM 466 CG GLU A 31 15.882 -9.984 2.409 1.00 0.00 C ATOM 467 CD GLU A 31 17.335 -10.077 2.756 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.101 -9.148 2.420 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.747 -11.078 3.358 1.00 0.00 O ATOM 0 H GLU A 31 13.591 -11.100 2.857 1.00 0.00 H new ATOM 0 HA GLU A 31 13.079 -8.606 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.537 -8.282 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.120 -9.815 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.478 -10.988 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.772 -9.469 1.454 1.00 0.00 H new ATOM 476 N ASP A 32 13.467 -8.559 0.721 1.00 0.00 N ATOM 477 CA ASP A 32 13.419 -7.728 -0.468 1.00 0.00 C ATOM 478 C ASP A 32 12.023 -7.151 -0.621 1.00 0.00 C ATOM 479 O ASP A 32 11.856 -5.981 -0.999 1.00 0.00 O ATOM 480 CB ASP A 32 13.832 -8.530 -1.702 1.00 0.00 C ATOM 481 CG ASP A 32 14.133 -7.658 -2.899 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.234 -7.297 -3.632 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.321 -7.320 -3.128 1.00 0.00 O ATOM 0 H ASP A 32 13.472 -9.561 0.532 1.00 0.00 H new ATOM 0 HA ASP A 32 14.126 -6.905 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.713 -9.126 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.035 -9.228 -1.959 1.00 0.00 H new ATOM 488 N ASP A 33 11.023 -7.962 -0.280 1.00 0.00 N ATOM 489 CA ASP A 33 9.623 -7.506 -0.241 1.00 0.00 C ATOM 490 C ASP A 33 9.526 -6.451 0.825 1.00 0.00 C ATOM 491 O ASP A 33 9.106 -5.310 0.590 1.00 0.00 O ATOM 492 CB ASP A 33 8.653 -8.622 0.226 1.00 0.00 C ATOM 493 CG ASP A 33 8.551 -9.848 -0.623 1.00 0.00 C ATOM 494 OD1 ASP A 33 9.270 -10.824 -0.356 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.666 -9.904 -1.484 1.00 0.00 O ATOM 0 H ASP A 33 11.151 -8.941 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 33 9.358 -7.172 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.953 -8.931 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.657 -8.188 0.311 1.00 0.00 H new ATOM 500 N ASN A 34 9.970 -6.862 2.001 1.00 0.00 N ATOM 501 CA ASN A 34 9.901 -6.119 3.234 1.00 0.00 C ATOM 502 C ASN A 34 10.482 -4.723 3.104 1.00 0.00 C ATOM 503 O ASN A 34 9.864 -3.766 3.542 1.00 0.00 O ATOM 504 CB ASN A 34 10.620 -6.908 4.327 1.00 0.00 C ATOM 505 CG ASN A 34 10.521 -6.296 5.699 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.530 -5.663 6.047 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.529 -6.493 6.488 1.00 0.00 N ATOM 0 H ASN A 34 10.411 -7.774 2.120 1.00 0.00 H new ATOM 0 HA ASN A 34 8.851 -5.988 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.209 -7.917 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.672 -7.002 4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.516 -6.116 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.336 -7.025 6.162 1.00 0.00 H new ATOM 514 N LYS A 35 11.629 -4.585 2.440 1.00 0.00 N ATOM 515 CA LYS A 35 12.258 -3.269 2.312 1.00 0.00 C ATOM 516 C LYS A 35 11.397 -2.297 1.501 1.00 0.00 C ATOM 517 O LYS A 35 11.480 -1.075 1.693 1.00 0.00 O ATOM 518 CB LYS A 35 13.699 -3.339 1.783 1.00 0.00 C ATOM 519 CG LYS A 35 13.861 -3.877 0.380 1.00 0.00 C ATOM 520 CD LYS A 35 15.331 -3.942 0.004 1.00 0.00 C ATOM 521 CE LYS A 35 15.524 -4.425 -1.417 1.00 0.00 C ATOM 522 NZ LYS A 35 16.953 -4.535 -1.777 1.00 0.00 N ATOM 0 H LYS A 35 12.133 -5.349 1.991 1.00 0.00 H new ATOM 0 HA LYS A 35 12.328 -2.871 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.128 -2.338 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.284 -3.961 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.417 -4.870 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.327 -3.240 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.780 -2.955 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.853 -4.610 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.044 -5.396 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.029 -3.738 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.039 -4.869 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.406 -3.603 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.421 -5.210 -1.139 1.00 0.00 H new ATOM 536 N LEU A 36 10.571 -2.824 0.604 1.00 0.00 N ATOM 537 CA LEU A 36 9.612 -1.978 -0.097 1.00 0.00 C ATOM 538 C LEU A 36 8.457 -1.695 0.820 1.00 0.00 C ATOM 539 O LEU A 36 8.094 -0.539 1.035 1.00 0.00 O ATOM 540 CB LEU A 36 9.097 -2.608 -1.403 1.00 0.00 C ATOM 541 CG LEU A 36 10.107 -2.743 -2.532 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.470 -3.444 -3.724 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.621 -1.365 -2.941 1.00 0.00 C ATOM 0 H LEU A 36 10.545 -3.811 0.349 1.00 0.00 H new ATOM 0 HA LEU A 36 10.125 -1.057 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.706 -3.599 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.259 -2.011 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 36 10.948 -3.342 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.202 -3.535 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.134 -4.437 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.618 -2.863 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.344 -1.472 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.786 -0.751 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.101 -0.887 -2.087 1.00 0.00 H new ATOM 555 N VAL A 37 7.931 -2.760 1.413 1.00 0.00 N ATOM 556 CA VAL A 37 6.787 -2.688 2.321 1.00 0.00 C ATOM 557 C VAL A 37 7.021 -1.647 3.418 1.00 0.00 C ATOM 558 O VAL A 37 6.157 -0.839 3.699 1.00 0.00 O ATOM 559 CB VAL A 37 6.489 -4.062 3.000 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.282 -3.951 3.907 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.254 -5.151 1.971 1.00 0.00 C ATOM 0 H VAL A 37 8.287 -3.706 1.278 1.00 0.00 H new ATOM 0 HA VAL A 37 5.931 -2.402 1.710 1.00 0.00 H new ATOM 0 HB VAL A 37 7.364 -4.332 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.087 -4.917 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.475 -3.207 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.414 -3.649 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.050 -6.094 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.402 -4.883 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.141 -5.260 1.347 1.00 0.00 H new ATOM 571 N ARG A 38 8.216 -1.639 3.983 1.00 0.00 N ATOM 572 CA ARG A 38 8.529 -0.743 5.088 1.00 0.00 C ATOM 573 C ARG A 38 8.463 0.729 4.714 1.00 0.00 C ATOM 574 O ARG A 38 8.192 1.555 5.577 1.00 0.00 O ATOM 575 CB ARG A 38 9.885 -1.034 5.744 1.00 0.00 C ATOM 576 CG ARG A 38 10.060 -2.434 6.301 1.00 0.00 C ATOM 577 CD ARG A 38 8.911 -2.855 7.195 1.00 0.00 C ATOM 578 NE ARG A 38 8.701 -1.955 8.326 1.00 0.00 N ATOM 579 CZ ARG A 38 7.892 -2.216 9.350 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.282 -3.401 9.434 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.711 -1.306 10.299 1.00 0.00 N ATOM 0 H ARG A 38 8.987 -2.242 3.696 1.00 0.00 H new ATOM 0 HA ARG A 38 7.742 -0.949 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.669 -0.855 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.037 -0.319 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.151 -3.140 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.991 -2.482 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.997 -2.903 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.101 -3.861 7.570 1.00 0.00 H new ATOM 0 HE ARG A 38 9.207 -1.069 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.436 -4.106 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.662 -3.601 10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.192 -0.408 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.091 -1.505 11.084 1.00 0.00 H new ATOM 595 N GLU A 39 8.721 1.084 3.461 1.00 0.00 N ATOM 596 CA GLU A 39 8.638 2.494 3.126 1.00 0.00 C ATOM 597 C GLU A 39 7.197 2.862 2.853 1.00 0.00 C ATOM 598 O GLU A 39 6.731 3.912 3.264 1.00 0.00 O ATOM 599 CB GLU A 39 9.556 2.937 1.963 1.00 0.00 C ATOM 600 CG GLU A 39 9.136 2.510 0.570 1.00 0.00 C ATOM 601 CD GLU A 39 9.962 3.196 -0.475 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.144 2.828 -0.649 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.465 4.154 -1.110 1.00 0.00 O ATOM 0 H GLU A 39 8.975 0.454 2.700 1.00 0.00 H new ATOM 0 HA GLU A 39 9.011 3.039 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.627 4.025 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.557 2.549 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.241 1.430 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.082 2.743 0.417 1.00 0.00 H new ATOM 610 N PHE A 40 6.478 1.955 2.213 1.00 0.00 N ATOM 611 CA PHE A 40 5.089 2.180 1.900 1.00 0.00 C ATOM 612 C PHE A 40 4.246 2.213 3.169 1.00 0.00 C ATOM 613 O PHE A 40 3.427 3.108 3.349 1.00 0.00 O ATOM 614 CB PHE A 40 4.573 1.155 0.898 1.00 0.00 C ATOM 615 CG PHE A 40 5.203 1.264 -0.482 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.991 2.384 -1.273 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.988 0.241 -0.987 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.551 2.476 -2.538 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.544 0.324 -2.250 1.00 0.00 C ATOM 620 CZ PHE A 40 6.328 1.439 -3.027 1.00 0.00 C ATOM 0 H PHE A 40 6.841 1.054 1.902 1.00 0.00 H new ATOM 0 HA PHE A 40 5.002 3.157 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.756 0.155 1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.493 1.268 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.382 3.194 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.169 -0.637 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.381 3.355 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.149 -0.487 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.762 1.505 -4.014 1.00 0.00 H new ATOM 630 N GLU A 41 4.512 1.281 4.074 1.00 0.00 N ATOM 631 CA GLU A 41 3.838 1.228 5.358 1.00 0.00 C ATOM 632 C GLU A 41 4.197 2.383 6.262 1.00 0.00 C ATOM 633 O GLU A 41 3.459 2.720 7.187 1.00 0.00 O ATOM 634 CB GLU A 41 4.007 -0.133 6.035 1.00 0.00 C ATOM 635 CG GLU A 41 3.036 -1.115 5.442 1.00 0.00 C ATOM 636 CD GLU A 41 1.662 -0.532 5.541 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.134 -0.500 6.666 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.110 -0.069 4.536 1.00 0.00 O ATOM 0 H GLU A 41 5.201 0.542 3.936 1.00 0.00 H new ATOM 0 HA GLU A 41 2.774 1.344 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.028 -0.491 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.837 -0.041 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.289 -1.318 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.085 -2.066 5.973 1.00 0.00 H new ATOM 645 N ARG A 42 5.308 3.015 5.976 1.00 0.00 N ATOM 646 CA ARG A 42 5.723 4.187 6.710 1.00 0.00 C ATOM 647 C ARG A 42 4.813 5.346 6.330 1.00 0.00 C ATOM 648 O ARG A 42 4.411 6.150 7.163 1.00 0.00 O ATOM 649 CB ARG A 42 7.163 4.529 6.344 1.00 0.00 C ATOM 650 CG ARG A 42 7.764 5.693 7.113 1.00 0.00 C ATOM 651 CD ARG A 42 7.748 5.436 8.606 1.00 0.00 C ATOM 652 NE ARG A 42 8.335 6.542 9.352 1.00 0.00 N ATOM 653 CZ ARG A 42 8.212 6.734 10.668 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.576 5.847 11.416 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.756 7.806 11.232 1.00 0.00 N ATOM 0 H ARG A 42 5.948 2.735 5.233 1.00 0.00 H new ATOM 0 HA ARG A 42 5.660 4.000 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.782 3.647 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.207 4.756 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.789 5.859 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.206 6.603 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.721 5.279 8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.297 4.519 8.823 1.00 0.00 H new ATOM 0 HE ARG A 42 8.883 7.224 8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.177 5.012 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.485 5.999 12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.266 8.480 10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.664 7.956 12.237 1.00 0.00 H new ATOM 669 N LEU A 43 4.486 5.382 5.070 1.00 0.00 N ATOM 670 CA LEU A 43 3.664 6.431 4.495 1.00 0.00 C ATOM 671 C LEU A 43 2.192 6.268 4.904 1.00 0.00 C ATOM 672 O LEU A 43 1.509 7.242 5.220 1.00 0.00 O ATOM 673 CB LEU A 43 3.716 6.356 2.981 1.00 0.00 C ATOM 674 CG LEU A 43 5.079 6.211 2.311 1.00 0.00 C ATOM 675 CD1 LEU A 43 4.904 5.860 0.842 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.872 7.486 2.436 1.00 0.00 C ATOM 0 H LEU A 43 4.783 4.677 4.395 1.00 0.00 H new ATOM 0 HA LEU A 43 4.051 7.383 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.100 5.513 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.246 7.257 2.587 1.00 0.00 H new ATOM 0 HG LEU A 43 5.623 5.410 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.883 5.759 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.361 4.919 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.343 6.650 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.840 7.361 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.329 8.301 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.021 7.720 3.490 1.00 0.00 H new ATOM 688 N THR A 44 1.716 5.042 4.857 1.00 0.00 N ATOM 689 CA THR A 44 0.328 4.726 5.131 1.00 0.00 C ATOM 690 C THR A 44 0.007 4.838 6.600 1.00 0.00 C ATOM 691 O THR A 44 -1.107 5.260 6.969 1.00 0.00 O ATOM 692 CB THR A 44 0.025 3.296 4.663 1.00 0.00 C ATOM 693 OG1 THR A 44 0.957 2.422 5.277 1.00 0.00 O ATOM 694 CG2 THR A 44 0.170 3.210 3.172 1.00 0.00 C ATOM 0 H THR A 44 2.286 4.228 4.626 1.00 0.00 H new ATOM 0 HA THR A 44 -0.287 5.445 4.591 1.00 0.00 H new ATOM 0 HB THR A 44 -0.993 3.020 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.958 1.562 4.807 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.046 2.193 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.528 3.900 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.189 3.474 2.890 1.00 0.00 H new ATOM 702 N GLU A 45 0.992 4.441 7.439 1.00 0.00 N ATOM 703 CA GLU A 45 0.858 4.344 8.851 1.00 0.00 C ATOM 704 C GLU A 45 -0.239 3.287 9.127 1.00 0.00 C ATOM 705 O GLU A 45 -0.879 3.249 10.193 1.00 0.00 O ATOM 706 CB GLU A 45 0.520 5.713 9.455 1.00 0.00 C ATOM 707 CG GLU A 45 0.706 5.750 10.932 1.00 0.00 C ATOM 708 CD GLU A 45 2.156 5.775 11.350 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.729 6.884 11.505 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.750 4.704 11.568 1.00 0.00 O ATOM 0 H GLU A 45 1.920 4.178 7.107 1.00 0.00 H new ATOM 0 HA GLU A 45 1.791 4.033 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.149 6.474 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.513 5.966 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.204 6.631 11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.222 4.879 11.374 1.00 0.00 H new ATOM 717 N HIS A 46 -0.399 2.384 8.159 1.00 0.00 N ATOM 718 CA HIS A 46 -1.435 1.410 8.204 1.00 0.00 C ATOM 719 C HIS A 46 -1.027 0.245 9.149 1.00 0.00 C ATOM 720 O HIS A 46 0.112 -0.157 9.202 1.00 0.00 O ATOM 721 CB HIS A 46 -1.843 0.939 6.759 1.00 0.00 C ATOM 722 CG HIS A 46 -3.093 0.118 6.748 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.130 -1.204 7.073 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.380 0.509 6.642 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.406 -1.563 7.205 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.209 -0.562 6.938 1.00 0.00 N ATOM 0 H HIS A 46 0.196 2.326 7.333 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.335 1.858 8.625 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.982 1.813 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.028 0.358 6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.712 1.500 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.736 -2.550 7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.229 -0.569 6.946 1.00 0.00 H new ATOM 734 N PRO A 47 -1.961 -0.231 9.957 1.00 0.00 N ATOM 735 CA PRO A 47 -1.723 -1.282 10.952 1.00 0.00 C ATOM 736 C PRO A 47 -1.418 -2.636 10.403 1.00 0.00 C ATOM 737 O PRO A 47 -0.575 -3.359 10.919 1.00 0.00 O ATOM 738 CB PRO A 47 -3.031 -1.351 11.691 1.00 0.00 C ATOM 739 CG PRO A 47 -4.037 -0.674 10.856 1.00 0.00 C ATOM 740 CD PRO A 47 -3.314 0.282 10.030 1.00 0.00 C ATOM 0 HA PRO A 47 -0.842 -1.030 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.316 -2.387 11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.949 -0.867 12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.575 -1.393 10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.778 -0.169 11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.759 0.362 9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.335 1.279 10.471 1.00 0.00 H new ATOM 748 N ASP A 48 -2.087 -2.981 9.382 1.00 0.00 N ATOM 749 CA ASP A 48 -1.992 -4.296 8.864 1.00 0.00 C ATOM 750 C ASP A 48 -1.547 -4.208 7.466 1.00 0.00 C ATOM 751 O ASP A 48 -1.770 -5.095 6.684 1.00 0.00 O ATOM 752 CB ASP A 48 -3.336 -5.034 8.952 1.00 0.00 C ATOM 753 CG ASP A 48 -3.700 -5.433 10.358 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.205 -4.597 11.105 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.478 -6.607 10.744 1.00 0.00 O ATOM 0 H ASP A 48 -2.721 -2.365 8.873 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.275 -4.865 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.121 -4.396 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.296 -5.926 8.327 1.00 0.00 H new ATOM 760 N GLY A 49 -0.898 -3.110 7.167 1.00 0.00 N ATOM 761 CA GLY A 49 -0.427 -2.842 5.792 1.00 0.00 C ATOM 762 C GLY A 49 0.480 -3.881 5.271 1.00 0.00 C ATOM 763 O GLY A 49 0.299 -4.372 4.154 1.00 0.00 O ATOM 0 H GLY A 49 -0.675 -2.377 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.289 -2.758 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.085 -1.880 5.772 1.00 0.00 H new ATOM 767 N SER A 50 1.432 -4.236 6.062 1.00 0.00 N ATOM 768 CA SER A 50 2.322 -5.312 5.705 1.00 0.00 C ATOM 769 C SER A 50 1.527 -6.613 5.576 1.00 0.00 C ATOM 770 O SER A 50 1.600 -7.302 4.558 1.00 0.00 O ATOM 771 CB SER A 50 3.443 -5.421 6.731 1.00 0.00 C ATOM 772 OG SER A 50 2.927 -5.270 8.044 1.00 0.00 O ATOM 0 H SER A 50 1.624 -3.803 6.965 1.00 0.00 H new ATOM 0 HA SER A 50 2.785 -5.110 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.938 -6.387 6.637 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.196 -4.657 6.539 1.00 0.00 H new ATOM 0 HG SER A 50 3.658 -5.344 8.693 1.00 0.00 H new ATOM 778 N ASP A 51 0.692 -6.868 6.575 1.00 0.00 N ATOM 779 CA ASP A 51 -0.173 -8.053 6.633 1.00 0.00 C ATOM 780 C ASP A 51 -1.028 -8.185 5.371 1.00 0.00 C ATOM 781 O ASP A 51 -1.195 -9.272 4.871 1.00 0.00 O ATOM 782 CB ASP A 51 -1.081 -8.018 7.876 1.00 0.00 C ATOM 783 CG ASP A 51 -0.330 -8.084 9.191 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.296 -7.069 9.603 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.353 -9.137 9.856 1.00 0.00 O ATOM 0 H ASP A 51 0.591 -6.253 7.382 1.00 0.00 H new ATOM 0 HA ASP A 51 0.481 -8.922 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.674 -7.104 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.780 -8.853 7.826 1.00 0.00 H new ATOM 790 N LEU A 52 -1.509 -7.052 4.840 1.00 0.00 N ATOM 791 CA LEU A 52 -2.353 -6.994 3.621 1.00 0.00 C ATOM 792 C LEU A 52 -1.692 -7.688 2.449 1.00 0.00 C ATOM 793 O LEU A 52 -2.332 -8.444 1.703 1.00 0.00 O ATOM 794 CB LEU A 52 -2.614 -5.522 3.197 1.00 0.00 C ATOM 795 CG LEU A 52 -3.329 -4.619 4.199 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.459 -3.206 3.651 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.690 -5.176 4.546 1.00 0.00 C ATOM 0 H LEU A 52 -1.325 -6.134 5.245 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.287 -7.496 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.654 -5.065 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.199 -5.535 2.278 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.730 -4.583 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.971 -2.579 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.467 -2.799 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.032 -3.227 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.181 -4.517 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.295 -5.247 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.576 -6.167 4.985 1.00 0.00 H new ATOM 809 N ILE A 53 -0.414 -7.470 2.338 1.00 0.00 N ATOM 810 CA ILE A 53 0.363 -7.900 1.189 1.00 0.00 C ATOM 811 C ILE A 53 0.649 -9.379 1.277 1.00 0.00 C ATOM 812 O ILE A 53 0.713 -10.091 0.269 1.00 0.00 O ATOM 813 CB ILE A 53 1.692 -7.115 1.170 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.390 -5.616 1.168 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.567 -7.502 -0.029 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.597 -4.752 1.362 1.00 0.00 C ATOM 0 H ILE A 53 0.134 -6.983 3.047 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.200 -7.708 0.275 1.00 0.00 H new ATOM 0 HB ILE A 53 2.259 -7.370 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.915 -5.353 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.670 -5.400 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.493 -6.927 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.800 -8.566 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.031 -7.289 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.300 -3.703 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.061 -4.985 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.310 -4.937 0.559 1.00 0.00 H new ATOM 828 N TYR A 54 0.772 -9.833 2.476 1.00 0.00 N ATOM 829 CA TYR A 54 1.146 -11.181 2.740 1.00 0.00 C ATOM 830 C TYR A 54 -0.060 -12.104 2.921 1.00 0.00 C ATOM 831 O TYR A 54 -0.105 -13.191 2.346 1.00 0.00 O ATOM 832 CB TYR A 54 2.045 -11.218 3.966 1.00 0.00 C ATOM 833 CG TYR A 54 3.429 -10.610 3.778 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.634 -9.252 3.928 1.00 0.00 C ATOM 835 CD2 TYR A 54 4.527 -11.402 3.477 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.874 -8.682 3.783 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.789 -10.845 3.339 1.00 0.00 C ATOM 838 CZ TYR A 54 5.954 -9.481 3.492 1.00 0.00 C ATOM 839 OH TYR A 54 7.213 -8.917 3.380 1.00 0.00 O ATOM 0 H TYR A 54 0.614 -9.272 3.313 1.00 0.00 H new ATOM 0 HA TYR A 54 1.687 -11.556 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.544 -10.694 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.162 -12.255 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.792 -8.619 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.397 -12.466 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.000 -7.615 3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.638 -11.473 3.113 1.00 0.00 H new ATOM 0 HH TYR A 54 7.890 -9.573 3.648 1.00 0.00 H new ATOM 849 N TYR A 55 -1.037 -11.671 3.695 1.00 0.00 N ATOM 850 CA TYR A 55 -2.165 -12.498 4.037 1.00 0.00 C ATOM 851 C TYR A 55 -3.476 -11.744 3.815 1.00 0.00 C ATOM 852 O TYR A 55 -3.590 -10.551 4.137 1.00 0.00 O ATOM 853 CB TYR A 55 -2.099 -12.921 5.518 1.00 0.00 C ATOM 854 CG TYR A 55 -0.818 -13.606 5.929 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.622 -14.960 5.698 1.00 0.00 C ATOM 856 CD2 TYR A 55 0.194 -12.894 6.555 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.553 -15.582 6.079 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.364 -13.504 6.936 1.00 0.00 C ATOM 859 CZ TYR A 55 1.541 -14.848 6.698 1.00 0.00 C ATOM 860 OH TYR A 55 2.720 -15.458 7.073 1.00 0.00 O ATOM 0 H TYR A 55 -1.066 -10.736 4.101 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.130 -13.379 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.236 -12.036 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.934 -13.590 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.397 -15.536 5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.060 -11.840 6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.695 -16.636 5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.142 -12.932 7.420 1.00 0.00 H new ATOM 0 HH TYR A 55 3.310 -14.799 7.495 1.00 0.00 H new ATOM 870 N PRO A 56 -4.467 -12.411 3.252 1.00 0.00 N ATOM 871 CA PRO A 56 -5.818 -11.863 3.089 1.00 0.00 C ATOM 872 C PRO A 56 -6.505 -11.672 4.463 1.00 0.00 C ATOM 873 O PRO A 56 -6.170 -12.361 5.426 1.00 0.00 O ATOM 874 CB PRO A 56 -6.535 -12.939 2.273 1.00 0.00 C ATOM 875 CG PRO A 56 -5.770 -14.182 2.523 1.00 0.00 C ATOM 876 CD PRO A 56 -4.351 -13.761 2.695 1.00 0.00 C ATOM 0 HA PRO A 56 -5.826 -10.883 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.574 -13.045 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.546 -12.689 1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.136 -14.694 3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.873 -14.878 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.812 -14.429 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.813 -13.760 1.747 1.00 0.00 H new ATOM 884 N ARG A 57 -7.446 -10.743 4.557 1.00 0.00 N ATOM 885 CA ARG A 57 -8.100 -10.479 5.830 1.00 0.00 C ATOM 886 C ARG A 57 -9.420 -11.256 5.963 1.00 0.00 C ATOM 887 O ARG A 57 -9.420 -12.498 6.025 1.00 0.00 O ATOM 888 CB ARG A 57 -8.314 -8.966 6.075 1.00 0.00 C ATOM 889 CG ARG A 57 -7.054 -8.121 6.000 1.00 0.00 C ATOM 890 CD ARG A 57 -7.313 -6.702 6.476 1.00 0.00 C ATOM 891 NE ARG A 57 -7.556 -6.643 7.921 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.309 -5.722 8.545 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.993 -4.822 7.846 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.380 -5.716 9.875 1.00 0.00 N ATOM 0 H ARG A 57 -7.770 -10.167 3.780 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.425 -10.838 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.029 -8.592 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.766 -8.832 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.272 -8.575 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.687 -8.102 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.458 -6.074 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.174 -6.293 5.947 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.118 -7.360 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.949 -4.827 6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.562 -4.127 8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.864 -6.409 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.951 -5.018 10.352 1.00 0.00 H new ATOM 908 N ASP A 58 -10.526 -10.543 6.029 1.00 0.00 N ATOM 909 CA ASP A 58 -11.843 -11.171 6.120 1.00 0.00 C ATOM 910 C ASP A 58 -12.744 -10.764 4.973 1.00 0.00 C ATOM 911 O ASP A 58 -13.000 -11.534 4.065 1.00 0.00 O ATOM 912 CB ASP A 58 -12.514 -10.855 7.453 1.00 0.00 C ATOM 913 CG ASP A 58 -13.872 -11.524 7.602 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.930 -12.684 8.049 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.904 -10.892 7.290 1.00 0.00 O ATOM 0 H ASP A 58 -10.546 -9.523 6.022 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.684 -12.247 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.864 -11.177 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.633 -9.776 7.548 1.00 0.00 H new ATOM 920 N ASP A 59 -13.188 -9.527 5.016 1.00 0.00 N ATOM 921 CA ASP A 59 -14.137 -8.990 4.033 1.00 0.00 C ATOM 922 C ASP A 59 -13.387 -8.264 2.943 1.00 0.00 C ATOM 923 O ASP A 59 -13.908 -8.009 1.851 1.00 0.00 O ATOM 924 CB ASP A 59 -15.126 -8.039 4.728 1.00 0.00 C ATOM 925 CG ASP A 59 -16.161 -7.441 3.792 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.030 -8.184 3.295 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.140 -6.216 3.559 1.00 0.00 O ATOM 0 H ASP A 59 -12.908 -8.855 5.730 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.697 -9.811 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.639 -8.580 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.568 -7.231 5.201 1.00 0.00 H new ATOM 932 N ARG A 60 -12.154 -7.964 3.252 1.00 0.00 N ATOM 933 CA ARG A 60 -11.256 -7.282 2.382 1.00 0.00 C ATOM 934 C ARG A 60 -11.011 -8.125 1.149 1.00 0.00 C ATOM 935 O ARG A 60 -10.979 -9.350 1.216 1.00 0.00 O ATOM 936 CB ARG A 60 -9.980 -7.030 3.182 1.00 0.00 C ATOM 937 CG ARG A 60 -9.013 -6.015 2.641 1.00 0.00 C ATOM 938 CD ARG A 60 -7.983 -6.581 1.696 1.00 0.00 C ATOM 939 NE ARG A 60 -6.939 -7.328 2.417 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.110 -8.217 1.855 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.244 -8.532 0.591 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.152 -8.786 2.569 1.00 0.00 N ATOM 0 H ARG A 60 -11.739 -8.201 4.153 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.657 -6.331 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.268 -6.719 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.452 -7.978 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.573 -5.236 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.500 -5.538 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.471 -7.239 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.525 -5.771 1.128 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.840 -7.156 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.981 -8.100 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.612 -9.209 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.041 -8.548 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.525 -9.462 2.134 1.00 0.00 H new ATOM 956 N GLU A 61 -10.875 -7.477 0.057 1.00 0.00 N ATOM 957 CA GLU A 61 -10.652 -8.135 -1.212 1.00 0.00 C ATOM 958 C GLU A 61 -9.184 -8.445 -1.349 1.00 0.00 C ATOM 959 O GLU A 61 -8.317 -7.571 -1.151 1.00 0.00 O ATOM 960 CB GLU A 61 -11.127 -7.253 -2.376 1.00 0.00 C ATOM 961 CG GLU A 61 -10.871 -7.828 -3.767 1.00 0.00 C ATOM 962 CD GLU A 61 -11.589 -9.130 -4.031 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.112 -10.196 -3.593 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.631 -9.123 -4.704 1.00 0.00 O ATOM 0 H GLU A 61 -10.913 -6.459 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.226 -9.061 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.196 -7.075 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.633 -6.284 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.178 -7.097 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.800 -7.983 -3.894 1.00 0.00 H new ATOM 971 N ASP A 62 -8.875 -9.662 -1.652 1.00 0.00 N ATOM 972 CA ASP A 62 -7.506 -10.031 -1.774 1.00 0.00 C ATOM 973 C ASP A 62 -7.041 -9.905 -3.185 1.00 0.00 C ATOM 974 O ASP A 62 -7.020 -10.864 -3.954 1.00 0.00 O ATOM 975 CB ASP A 62 -7.175 -11.389 -1.179 1.00 0.00 C ATOM 976 CG ASP A 62 -5.684 -11.581 -1.074 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.029 -10.788 -0.347 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.130 -12.503 -1.725 1.00 0.00 O ATOM 0 H ASP A 62 -9.546 -10.412 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.947 -9.319 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.628 -11.478 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.604 -12.176 -1.798 1.00 0.00 H new ATOM 983 N SER A 63 -6.792 -8.696 -3.546 1.00 0.00 N ATOM 984 CA SER A 63 -6.276 -8.357 -4.811 1.00 0.00 C ATOM 985 C SER A 63 -5.374 -7.170 -4.576 1.00 0.00 C ATOM 986 O SER A 63 -5.516 -6.513 -3.529 1.00 0.00 O ATOM 987 CB SER A 63 -7.437 -7.962 -5.736 1.00 0.00 C ATOM 988 OG SER A 63 -8.120 -6.823 -5.227 1.00 0.00 O ATOM 0 H SER A 63 -6.950 -7.891 -2.941 1.00 0.00 H new ATOM 0 HA SER A 63 -5.737 -9.182 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.056 -7.748 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.132 -8.796 -5.832 1.00 0.00 H new ATOM 0 HG SER A 63 -8.855 -6.586 -5.830 1.00 0.00 H new ATOM 994 N PRO A 64 -4.423 -6.875 -5.477 1.00 0.00 N ATOM 995 CA PRO A 64 -3.592 -5.672 -5.371 1.00 0.00 C ATOM 996 C PRO A 64 -4.478 -4.410 -5.222 1.00 0.00 C ATOM 997 O PRO A 64 -4.132 -3.475 -4.509 1.00 0.00 O ATOM 998 CB PRO A 64 -2.813 -5.677 -6.705 1.00 0.00 C ATOM 999 CG PRO A 64 -2.726 -7.114 -7.060 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.036 -7.710 -6.637 1.00 0.00 C ATOM 0 HA PRO A 64 -2.935 -5.662 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.333 -5.106 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.824 -5.232 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.562 -7.245 -8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.892 -7.595 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.778 -7.662 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.932 -8.760 -6.362 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.655 -4.439 -5.850 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.608 -3.346 -5.765 1.00 0.00 C ATOM 1010 C GLU A 65 -7.256 -3.290 -4.373 1.00 0.00 C ATOM 1011 O GLU A 65 -7.323 -2.229 -3.753 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.688 -3.475 -6.840 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.174 -3.422 -8.270 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.284 -3.517 -9.282 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.179 -2.644 -9.298 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.274 -4.448 -10.105 1.00 0.00 O ATOM 0 H GLU A 65 -5.967 -5.220 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.061 -2.418 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.216 -4.417 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.417 -2.676 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.626 -2.492 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.469 -4.238 -8.430 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.703 -4.440 -3.887 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.354 -4.525 -2.592 1.00 0.00 C ATOM 1025 C GLY A 66 -7.426 -4.198 -1.446 1.00 0.00 C ATOM 1026 O GLY A 66 -7.855 -3.640 -0.424 1.00 0.00 O ATOM 0 H GLY A 66 -7.625 -5.332 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.203 -3.842 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.751 -5.531 -2.456 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.162 -4.546 -1.604 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.136 -4.210 -0.626 1.00 0.00 C ATOM 1032 C ILE A 67 -5.037 -2.693 -0.490 1.00 0.00 C ATOM 1033 O ILE A 67 -5.022 -2.153 0.625 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.767 -4.840 -1.019 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.841 -6.368 -0.846 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.607 -4.235 -0.218 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.626 -7.123 -1.332 1.00 0.00 C ATOM 0 H ILE A 67 -5.816 -5.067 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.414 -4.626 0.342 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.565 -4.612 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.992 -6.593 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.717 -6.737 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.671 -4.703 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.555 -3.163 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.769 -4.409 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.772 -8.191 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.483 -6.935 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.746 -6.788 -0.783 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.035 -2.018 -1.625 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.033 -0.572 -1.659 1.00 0.00 C ATOM 1051 C VAL A 68 -6.292 -0.036 -1.033 1.00 0.00 C ATOM 1052 O VAL A 68 -6.231 0.844 -0.191 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.891 -0.030 -3.097 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.063 1.491 -3.146 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.544 -0.388 -3.615 1.00 0.00 C ATOM 0 H VAL A 68 -5.035 -2.458 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.168 -0.233 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.673 -0.477 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.956 1.836 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.052 1.757 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.303 1.963 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.433 -0.010 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.779 0.055 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.431 -1.472 -3.617 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.422 -0.628 -1.402 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.722 -0.199 -0.925 1.00 0.00 C ATOM 1067 C LYS A 69 -8.823 -0.263 0.595 1.00 0.00 C ATOM 1068 O LYS A 69 -9.533 0.539 1.210 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.837 -1.009 -1.567 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.214 -0.417 -1.277 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.165 -0.595 -2.429 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.693 0.197 -3.646 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.657 0.112 -4.755 1.00 0.00 N ATOM 0 H LYS A 69 -7.458 -1.421 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.838 0.844 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.680 -1.051 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.798 -2.034 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.631 -0.890 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.111 0.645 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.241 -1.652 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.162 -0.265 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.549 1.241 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.725 -0.182 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.304 0.661 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.776 -0.882 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.573 0.497 -4.449 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.107 -1.189 1.202 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.101 -1.293 2.640 1.00 0.00 C ATOM 1089 C GLU A 70 -7.443 -0.045 3.226 1.00 0.00 C ATOM 1090 O GLU A 70 -8.038 0.654 4.028 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.377 -2.552 3.103 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.590 -2.852 4.576 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.027 -3.214 4.890 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.923 -2.344 4.797 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.281 -4.370 5.263 1.00 0.00 O ATOM 0 H GLU A 70 -7.526 -1.875 0.721 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.129 -1.365 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.721 -3.400 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.310 -2.442 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.938 -3.673 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.300 -1.983 5.167 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.244 0.250 2.749 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.492 1.433 3.152 1.00 0.00 C ATOM 1104 C ILE A 71 -6.267 2.712 2.831 1.00 0.00 C ATOM 1105 O ILE A 71 -6.359 3.627 3.648 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.122 1.446 2.430 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.233 0.399 3.063 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.452 2.822 2.490 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.001 0.108 2.291 1.00 0.00 C ATOM 0 H ILE A 71 -5.759 -0.330 2.064 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.336 1.395 4.230 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.282 1.220 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.953 0.731 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.802 -0.523 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.494 2.783 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.095 3.561 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.290 3.102 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.417 -0.652 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.270 -0.256 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.408 1.018 2.195 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.835 2.726 1.655 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.563 3.817 1.105 1.00 0.00 C ATOM 1123 C LYS A 72 -8.759 4.169 1.998 1.00 0.00 C ATOM 1124 O LYS A 72 -8.831 5.279 2.534 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.982 3.342 -0.303 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.635 4.306 -1.257 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.974 4.726 -0.807 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.660 5.421 -1.901 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.952 5.954 -1.472 1.00 0.00 N ATOM 0 H LYS A 72 -6.794 1.925 1.025 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.978 4.734 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.089 2.954 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.664 2.502 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.001 5.185 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.715 3.842 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.553 3.858 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.889 5.382 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.033 6.234 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.808 4.734 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.395 6.468 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.570 5.171 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.811 6.603 -0.671 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.646 3.211 2.213 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.854 3.459 2.985 1.00 0.00 C ATOM 1145 C GLU A 73 -10.541 3.702 4.445 1.00 0.00 C ATOM 1146 O GLU A 73 -11.242 4.453 5.121 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.860 2.316 2.834 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.481 2.196 1.446 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.283 3.422 1.057 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.208 3.806 1.797 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.012 4.028 0.002 1.00 0.00 O ATOM 0 H GLU A 73 -9.553 2.257 1.865 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.308 4.365 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.363 1.377 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.658 2.453 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.692 2.035 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.128 1.319 1.416 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.486 3.089 4.921 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.083 3.229 6.293 1.00 0.00 C ATOM 1160 C TRP A 74 -8.550 4.632 6.542 1.00 0.00 C ATOM 1161 O TRP A 74 -9.051 5.343 7.413 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.027 2.192 6.610 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.639 2.073 8.041 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.310 1.403 9.012 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.464 2.595 8.656 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.616 1.459 10.183 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.483 2.181 9.996 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.397 3.366 8.202 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.477 2.500 10.885 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.396 3.690 9.083 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.439 3.251 10.413 1.00 0.00 C ATOM 0 H TRP A 74 -8.884 2.480 4.367 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.943 3.073 6.945 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.386 1.221 6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.134 2.423 6.030 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.256 0.899 8.876 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.903 1.027 11.061 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.358 3.702 7.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.509 2.169 11.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.564 4.291 8.747 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.632 3.513 11.081 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.593 5.072 5.728 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.969 6.364 5.957 1.00 0.00 C ATOM 1184 C ARG A 75 -7.942 7.494 5.720 1.00 0.00 C ATOM 1185 O ARG A 75 -7.946 8.481 6.458 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.715 6.558 5.123 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.637 5.531 5.396 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.341 5.908 4.729 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.530 6.300 3.329 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.794 7.219 2.698 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.823 7.851 3.341 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.060 7.524 1.438 1.00 0.00 N ATOM 0 H ARG A 75 -7.241 4.560 4.919 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.668 6.380 7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.982 6.519 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.313 7.553 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.482 5.440 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.963 4.555 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.879 6.731 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.651 5.066 4.778 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.273 5.841 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.636 7.636 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.263 8.552 2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.825 7.058 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.500 8.225 0.954 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.800 7.319 4.738 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.806 8.313 4.405 1.00 0.00 C ATOM 1208 C ALA A 76 -10.833 8.459 5.535 1.00 0.00 C ATOM 1209 O ALA A 76 -11.353 9.544 5.775 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.493 7.954 3.086 1.00 0.00 C ATOM 0 H ALA A 76 -8.823 6.487 4.148 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.308 9.275 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.244 8.708 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.752 7.918 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.973 6.980 3.179 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.076 7.370 6.264 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.055 7.373 7.341 1.00 0.00 C ATOM 1218 C ALA A 77 -11.413 7.913 8.584 1.00 0.00 C ATOM 1219 O ALA A 77 -12.048 8.532 9.422 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.604 5.976 7.590 1.00 0.00 C ATOM 0 H ALA A 77 -10.606 6.476 6.125 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.894 8.008 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.333 6.010 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.085 5.607 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.788 5.308 7.865 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.131 7.664 8.688 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.341 8.110 9.802 1.00 0.00 C ATOM 1228 C ASN A 78 -9.073 9.603 9.745 1.00 0.00 C ATOM 1229 O ASN A 78 -8.767 10.222 10.761 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.008 7.356 9.862 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.060 5.957 10.480 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.070 5.516 11.043 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.167 5.264 10.382 1.00 0.00 N ATOM 0 H ASN A 78 -9.603 7.139 7.991 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.918 7.899 10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.615 7.270 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.298 7.957 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.219 4.327 10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.977 5.661 9.905 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.207 10.181 8.572 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.899 11.586 8.406 1.00 0.00 C ATOM 1242 C GLY A 79 -7.420 11.768 8.194 1.00 0.00 C ATOM 1243 O GLY A 79 -6.818 12.760 8.621 1.00 0.00 O ATOM 0 H GLY A 79 -9.524 9.707 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.449 11.989 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.220 12.143 9.286 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.829 10.786 7.565 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.438 10.769 7.280 1.00 0.00 C ATOM 1249 C LYS A 80 -5.176 11.279 5.874 1.00 0.00 C ATOM 1250 O LYS A 80 -6.076 11.822 5.215 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.909 9.356 7.433 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.732 8.896 8.870 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.327 7.440 8.905 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.843 6.997 10.284 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.852 7.113 11.352 1.00 0.00 N ATOM 0 H LYS A 80 -7.325 9.959 7.232 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.923 11.425 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.590 8.671 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.949 9.285 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.974 9.504 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.662 9.036 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.175 6.824 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.536 7.269 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.514 5.960 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.972 7.592 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.407 6.923 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.249 8.074 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.613 6.424 11.187 1.00 0.00 H new ATOM 1269 N SER A 81 -3.959 11.105 5.436 1.00 0.00 N ATOM 1270 CA SER A 81 -3.512 11.506 4.131 1.00 0.00 C ATOM 1271 C SER A 81 -4.224 10.668 3.030 1.00 0.00 C ATOM 1272 O SER A 81 -4.939 9.682 3.326 1.00 0.00 O ATOM 1273 CB SER A 81 -1.993 11.304 4.095 1.00 0.00 C ATOM 1274 OG SER A 81 -1.373 11.876 2.947 1.00 0.00 O ATOM 0 H SER A 81 -3.228 10.666 5.996 1.00 0.00 H new ATOM 0 HA SER A 81 -3.756 12.550 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.554 11.742 4.992 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.775 10.236 4.122 1.00 0.00 H new ATOM 0 HG SER A 81 -0.407 11.716 2.983 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.033 11.049 1.790 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.666 10.357 0.698 1.00 0.00 C ATOM 1282 C GLY A 82 -3.669 10.039 -0.368 1.00 0.00 C ATOM 1283 O GLY A 82 -2.473 9.865 -0.071 1.00 0.00 O ATOM 0 H GLY A 82 -3.444 11.835 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.126 9.437 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.466 10.972 0.285 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.131 9.890 -1.565 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.296 9.700 -2.689 1.00 0.00 C ATOM 1289 C PHE A 83 -3.490 10.899 -3.583 1.00 0.00 C ATOM 1290 O PHE A 83 -4.211 11.845 -3.221 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.718 8.448 -3.451 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.784 7.197 -2.621 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.633 6.585 -2.191 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.003 6.639 -2.269 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.690 5.444 -1.427 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.061 5.494 -1.502 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.899 4.895 -1.082 1.00 0.00 C ATOM 0 H PHE A 83 -5.126 9.898 -1.787 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.257 9.587 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.697 8.624 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.019 8.286 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.673 7.004 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.919 7.107 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.775 4.976 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.017 5.070 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.937 3.997 -0.483 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.852 10.905 -4.702 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.105 11.906 -5.666 1.00 0.00 C ATOM 1309 C LYS A 84 -4.188 11.399 -6.580 1.00 0.00 C ATOM 1310 O LYS A 84 -4.256 10.205 -6.885 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.849 12.257 -6.424 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.019 13.413 -7.373 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.713 13.757 -8.068 1.00 0.00 C ATOM 1314 CE LYS A 84 0.395 14.162 -7.085 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.031 15.328 -6.243 1.00 0.00 N ATOM 0 H LYS A 84 -2.146 10.219 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.436 12.825 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.060 12.496 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.518 11.383 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.775 13.166 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.382 14.283 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.380 12.898 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.884 14.572 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.627 13.315 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.301 14.395 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.853 15.616 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.262 16.118 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.753 15.069 -5.611 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.016 12.278 -7.011 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.171 11.946 -7.745 1.00 0.00 C ATOM 1331 C GLN A 85 -5.896 11.941 -9.255 1.00 0.00 C ATOM 1332 O GLN A 85 -6.656 12.507 -10.038 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.213 12.978 -7.393 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.604 12.470 -7.474 1.00 0.00 C ATOM 1335 CD GLN A 85 -9.030 11.620 -6.259 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -8.097 10.959 -5.605 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -10.207 11.591 -5.897 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.901 13.279 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.509 10.941 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.026 13.341 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.107 13.832 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.285 13.316 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.710 11.872 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.914 12.110 -6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.475 11.048 -5.076 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.845 11.270 -9.652 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.521 11.182 -11.051 1.00 0.00 C ATOM 1348 C GLY A 86 -3.897 12.454 -11.548 1.00 0.00 C ATOM 1349 O GLY A 86 -3.188 13.111 -10.773 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.157 12.857 -12.709 1.00 0.00 O ATOM 0 H GLY A 86 -4.203 10.779 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.836 10.350 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.424 10.970 -11.623 1.00 0.00 H new TER 1354 GLY A 86