USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 523 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 25 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.878) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.19) USER MOD Set 1.3: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0103) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.0605 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 26:sc=0.000928 USER MOD Single : A 11 SER OG : rot 13:sc= 0.988 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 169:sc=-0.00259 (180deg=-0.175) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.0648 (180deg=0.0359) USER MOD Single : A 38 THR OG1 : rot -23:sc= 1.06 USER MOD Single : A 46 ASN : amide:sc= -4 K(o=-4,f=-4.7!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0147) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.140 22.676 45.566 1.00 0.00 N ATOM 2 CA GLY A 1 14.383 23.305 46.851 1.00 0.00 C ATOM 3 C GLY A 1 14.781 22.306 47.919 1.00 0.00 C ATOM 4 O GLY A 1 14.294 22.368 49.048 1.00 0.00 O ATOM 0 H1 GLY A 1 13.806 23.390 44.888 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.022 22.251 45.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.418 21.935 45.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.171 24.051 46.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.484 23.834 47.169 1.00 0.00 H new ATOM 8 N SER A 2 15.668 21.382 47.563 1.00 0.00 N ATOM 9 CA SER A 2 16.127 20.362 48.498 1.00 0.00 C ATOM 10 C SER A 2 17.319 19.600 47.929 1.00 0.00 C ATOM 11 O SER A 2 17.412 19.383 46.721 1.00 0.00 O ATOM 12 CB SER A 2 14.992 19.389 48.821 1.00 0.00 C ATOM 13 OG SER A 2 14.495 18.776 47.644 1.00 0.00 O ATOM 0 H SER A 2 16.083 21.319 46.633 1.00 0.00 H new ATOM 0 HA SER A 2 16.441 20.860 49.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.350 18.624 49.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.186 19.921 49.326 1.00 0.00 H new ATOM 0 HG SER A 2 13.772 18.157 47.878 1.00 0.00 H new ATOM 19 N SER A 3 18.231 19.196 48.808 1.00 0.00 N ATOM 20 CA SER A 3 19.420 18.462 48.394 1.00 0.00 C ATOM 21 C SER A 3 19.040 17.212 47.606 1.00 0.00 C ATOM 22 O SER A 3 17.974 16.633 47.814 1.00 0.00 O ATOM 23 CB SER A 3 20.256 18.073 49.615 1.00 0.00 C ATOM 24 OG SER A 3 19.655 17.005 50.327 1.00 0.00 O ATOM 0 H SER A 3 18.168 19.365 49.812 1.00 0.00 H new ATOM 0 HA SER A 3 20.011 19.112 47.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.257 17.783 49.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.368 18.935 50.273 1.00 0.00 H new ATOM 0 HG SER A 3 20.210 16.775 51.101 1.00 0.00 H new ATOM 30 N GLY A 4 19.920 16.801 46.699 1.00 0.00 N ATOM 31 CA GLY A 4 19.660 15.623 45.892 1.00 0.00 C ATOM 32 C GLY A 4 20.930 15.000 45.348 1.00 0.00 C ATOM 33 O GLY A 4 21.827 15.706 44.886 1.00 0.00 O ATOM 0 H GLY A 4 20.809 17.263 46.508 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.126 14.886 46.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.007 15.892 45.062 1.00 0.00 H new ATOM 37 N SER A 5 21.009 13.675 45.405 1.00 0.00 N ATOM 38 CA SER A 5 22.182 12.957 44.919 1.00 0.00 C ATOM 39 C SER A 5 21.793 11.586 44.374 1.00 0.00 C ATOM 40 O SER A 5 21.341 10.716 45.119 1.00 0.00 O ATOM 41 CB SER A 5 23.211 12.800 46.040 1.00 0.00 C ATOM 42 OG SER A 5 23.779 14.050 46.389 1.00 0.00 O ATOM 0 H SER A 5 20.275 13.076 45.783 1.00 0.00 H new ATOM 0 HA SER A 5 22.623 13.538 44.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.736 12.356 46.915 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.998 12.115 45.723 1.00 0.00 H new ATOM 0 HG SER A 5 24.432 13.923 47.109 1.00 0.00 H new ATOM 48 N SER A 6 21.972 11.401 43.070 1.00 0.00 N ATOM 49 CA SER A 6 21.637 10.138 42.424 1.00 0.00 C ATOM 50 C SER A 6 22.636 9.811 41.318 1.00 0.00 C ATOM 51 O SER A 6 23.484 10.632 40.970 1.00 0.00 O ATOM 52 CB SER A 6 20.221 10.196 41.847 1.00 0.00 C ATOM 53 OG SER A 6 19.248 10.097 42.873 1.00 0.00 O ATOM 0 H SER A 6 22.347 12.110 42.440 1.00 0.00 H new ATOM 0 HA SER A 6 21.684 9.350 43.176 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.085 11.130 41.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.083 9.386 41.131 1.00 0.00 H new ATOM 0 HG SER A 6 19.691 10.115 43.747 1.00 0.00 H new ATOM 59 N GLY A 7 22.528 8.605 40.769 1.00 0.00 N ATOM 60 CA GLY A 7 23.427 8.190 39.708 1.00 0.00 C ATOM 61 C GLY A 7 24.733 7.635 40.240 1.00 0.00 C ATOM 62 O GLY A 7 24.852 7.287 41.414 1.00 0.00 O ATOM 0 H GLY A 7 21.834 7.908 41.040 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.937 7.433 39.096 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.635 9.040 39.058 1.00 0.00 H new ATOM 66 N PRO A 8 25.743 7.544 39.362 1.00 0.00 N ATOM 67 CA PRO A 8 25.613 7.955 37.960 1.00 0.00 C ATOM 68 C PRO A 8 24.708 7.022 37.164 1.00 0.00 C ATOM 69 O PRO A 8 24.818 5.800 37.264 1.00 0.00 O ATOM 70 CB PRO A 8 27.049 7.883 37.435 1.00 0.00 C ATOM 71 CG PRO A 8 27.725 6.887 38.314 1.00 0.00 C ATOM 72 CD PRO A 8 27.089 7.033 39.669 1.00 0.00 C ATOM 0 HA PRO A 8 25.158 8.941 37.865 1.00 0.00 H new ATOM 0 HB2 PRO A 8 27.074 7.571 36.391 1.00 0.00 H new ATOM 0 HB3 PRO A 8 27.539 8.855 37.488 1.00 0.00 H new ATOM 0 HG2 PRO A 8 27.596 5.875 37.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 28.798 7.075 38.364 1.00 0.00 H new ATOM 0 HD2 PRO A 8 27.046 6.081 40.197 1.00 0.00 H new ATOM 0 HD3 PRO A 8 27.646 7.724 40.302 1.00 0.00 H new ATOM 80 N SER A 9 23.812 7.605 36.374 1.00 0.00 N ATOM 81 CA SER A 9 22.885 6.825 35.563 1.00 0.00 C ATOM 82 C SER A 9 22.660 7.487 34.207 1.00 0.00 C ATOM 83 O SER A 9 23.033 8.641 33.997 1.00 0.00 O ATOM 84 CB SER A 9 21.549 6.662 36.291 1.00 0.00 C ATOM 85 OG SER A 9 21.552 5.505 37.109 1.00 0.00 O ATOM 0 H SER A 9 23.709 8.615 36.278 1.00 0.00 H new ATOM 0 HA SER A 9 23.324 5.841 35.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.355 7.543 36.903 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.740 6.595 35.563 1.00 0.00 H new ATOM 0 HG SER A 9 20.688 5.424 37.565 1.00 0.00 H new ATOM 91 N SER A 10 22.047 6.747 33.288 1.00 0.00 N ATOM 92 CA SER A 10 21.775 7.259 31.950 1.00 0.00 C ATOM 93 C SER A 10 20.417 6.778 31.450 1.00 0.00 C ATOM 94 O SER A 10 19.989 5.665 31.755 1.00 0.00 O ATOM 95 CB SER A 10 22.873 6.820 30.980 1.00 0.00 C ATOM 96 OG SER A 10 23.957 7.733 30.988 1.00 0.00 O ATOM 0 H SER A 10 21.729 5.791 33.446 1.00 0.00 H new ATOM 0 HA SER A 10 21.759 8.348 32.001 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.228 5.827 31.254 1.00 0.00 H new ATOM 0 HB3 SER A 10 22.464 6.746 29.972 1.00 0.00 H new ATOM 0 HG SER A 10 23.987 8.197 31.851 1.00 0.00 H new ATOM 102 N SER A 11 19.742 7.627 30.681 1.00 0.00 N ATOM 103 CA SER A 11 18.430 7.291 30.141 1.00 0.00 C ATOM 104 C SER A 11 18.446 7.322 28.616 1.00 0.00 C ATOM 105 O SER A 11 18.551 8.387 28.007 1.00 0.00 O ATOM 106 CB SER A 11 17.373 8.263 30.671 1.00 0.00 C ATOM 107 OG SER A 11 17.541 9.554 30.110 1.00 0.00 O ATOM 0 H SER A 11 20.082 8.552 30.418 1.00 0.00 H new ATOM 0 HA SER A 11 18.179 6.281 30.464 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.378 7.887 30.435 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.442 8.323 31.757 1.00 0.00 H new ATOM 0 HG SER A 11 18.162 9.504 29.353 1.00 0.00 H new ATOM 113 N GLN A 12 18.341 6.146 28.005 1.00 0.00 N ATOM 114 CA GLN A 12 18.344 6.038 26.551 1.00 0.00 C ATOM 115 C GLN A 12 17.393 4.940 26.085 1.00 0.00 C ATOM 116 O GLN A 12 17.480 3.798 26.536 1.00 0.00 O ATOM 117 CB GLN A 12 19.758 5.754 26.043 1.00 0.00 C ATOM 118 CG GLN A 12 20.679 6.963 26.098 1.00 0.00 C ATOM 119 CD GLN A 12 22.041 6.687 25.492 1.00 0.00 C ATOM 120 OE1 GLN A 12 22.651 5.650 25.755 1.00 0.00 O ATOM 121 NE2 GLN A 12 22.526 7.616 24.677 1.00 0.00 N ATOM 0 H GLN A 12 18.253 5.255 28.494 1.00 0.00 H new ATOM 0 HA GLN A 12 18.002 6.988 26.140 1.00 0.00 H new ATOM 0 HB2 GLN A 12 20.193 4.949 26.635 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.701 5.398 25.014 1.00 0.00 H new ATOM 0 HG2 GLN A 12 20.212 7.795 25.570 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.803 7.273 27.135 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.986 8.460 24.487 1.00 0.00 H new ATOM 0 HE22 GLN A 12 23.439 7.485 24.241 1.00 0.00 H new ATOM 130 N SER A 13 16.487 5.294 25.180 1.00 0.00 N ATOM 131 CA SER A 13 15.517 4.339 24.655 1.00 0.00 C ATOM 132 C SER A 13 15.101 4.712 23.235 1.00 0.00 C ATOM 133 O SER A 13 14.876 5.882 22.931 1.00 0.00 O ATOM 134 CB SER A 13 14.285 4.282 25.561 1.00 0.00 C ATOM 135 OG SER A 13 13.554 5.495 25.505 1.00 0.00 O ATOM 0 H SER A 13 16.404 6.235 24.795 1.00 0.00 H new ATOM 0 HA SER A 13 15.988 3.356 24.631 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.645 3.454 25.258 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.594 4.087 26.588 1.00 0.00 H new ATOM 0 HG SER A 13 12.771 5.432 26.091 1.00 0.00 H new ATOM 141 N GLU A 14 15.002 3.706 22.372 1.00 0.00 N ATOM 142 CA GLU A 14 14.614 3.928 20.983 1.00 0.00 C ATOM 143 C GLU A 14 13.968 2.678 20.393 1.00 0.00 C ATOM 144 O GLU A 14 14.566 1.603 20.384 1.00 0.00 O ATOM 145 CB GLU A 14 15.832 4.329 20.148 1.00 0.00 C ATOM 146 CG GLU A 14 16.144 5.815 20.200 1.00 0.00 C ATOM 147 CD GLU A 14 17.333 6.192 19.339 1.00 0.00 C ATOM 148 OE1 GLU A 14 18.446 5.698 19.613 1.00 0.00 O ATOM 149 OE2 GLU A 14 17.150 6.983 18.389 1.00 0.00 O ATOM 0 H GLU A 14 15.185 2.731 22.609 1.00 0.00 H new ATOM 0 HA GLU A 14 13.885 4.738 20.961 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.701 3.772 20.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.663 4.038 19.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.270 6.378 19.872 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.341 6.105 21.232 1.00 0.00 H new ATOM 156 N GLU A 15 12.742 2.829 19.901 1.00 0.00 N ATOM 157 CA GLU A 15 12.014 1.713 19.309 1.00 0.00 C ATOM 158 C GLU A 15 11.627 2.019 17.866 1.00 0.00 C ATOM 159 O GLU A 15 10.524 1.697 17.425 1.00 0.00 O ATOM 160 CB GLU A 15 10.761 1.401 20.130 1.00 0.00 C ATOM 161 CG GLU A 15 11.029 0.521 21.339 1.00 0.00 C ATOM 162 CD GLU A 15 9.807 -0.268 21.769 1.00 0.00 C ATOM 163 OE1 GLU A 15 8.839 0.353 22.255 1.00 0.00 O ATOM 164 OE2 GLU A 15 9.819 -1.508 21.617 1.00 0.00 O ATOM 0 H GLU A 15 12.233 3.713 19.901 1.00 0.00 H new ATOM 0 HA GLU A 15 12.669 0.842 19.313 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.314 2.337 20.465 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.030 0.910 19.488 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.840 -0.170 21.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.366 1.143 22.169 1.00 0.00 H new ATOM 171 N LYS A 16 12.543 2.644 17.134 1.00 0.00 N ATOM 172 CA LYS A 16 12.300 2.995 15.739 1.00 0.00 C ATOM 173 C LYS A 16 13.593 2.939 14.931 1.00 0.00 C ATOM 174 O LYS A 16 14.652 2.604 15.460 1.00 0.00 O ATOM 175 CB LYS A 16 11.686 4.393 15.643 1.00 0.00 C ATOM 176 CG LYS A 16 12.564 5.485 16.228 1.00 0.00 C ATOM 177 CD LYS A 16 13.513 6.054 15.186 1.00 0.00 C ATOM 178 CE LYS A 16 14.619 6.877 15.830 1.00 0.00 C ATOM 179 NZ LYS A 16 15.692 7.222 14.857 1.00 0.00 N ATOM 0 H LYS A 16 13.461 2.918 17.484 1.00 0.00 H new ATOM 0 HA LYS A 16 11.601 2.269 15.324 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.486 4.621 14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.726 4.395 16.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.937 6.283 16.626 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.137 5.084 17.064 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.952 5.240 14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.956 6.676 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.196 7.792 16.244 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.049 6.320 16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.426 7.783 15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.113 6.349 14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.287 7.776 14.076 1.00 0.00 H new ATOM 193 N ALA A 17 13.498 3.272 13.648 1.00 0.00 N ATOM 194 CA ALA A 17 14.660 3.263 12.769 1.00 0.00 C ATOM 195 C ALA A 17 14.476 4.231 11.605 1.00 0.00 C ATOM 196 O ALA A 17 13.372 4.425 11.096 1.00 0.00 O ATOM 197 CB ALA A 17 14.920 1.856 12.251 1.00 0.00 C ATOM 0 H ALA A 17 12.628 3.551 13.195 1.00 0.00 H new ATOM 0 HA ALA A 17 15.524 3.591 13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.791 1.865 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.105 1.187 13.092 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.050 1.507 11.694 1.00 0.00 H new ATOM 203 N PRO A 18 15.581 4.857 11.174 1.00 0.00 N ATOM 204 CA PRO A 18 15.567 5.816 10.066 1.00 0.00 C ATOM 205 C PRO A 18 15.303 5.145 8.722 1.00 0.00 C ATOM 206 O PRO A 18 16.165 4.450 8.186 1.00 0.00 O ATOM 207 CB PRO A 18 16.975 6.416 10.097 1.00 0.00 C ATOM 208 CG PRO A 18 17.818 5.368 10.738 1.00 0.00 C ATOM 209 CD PRO A 18 16.931 4.675 11.735 1.00 0.00 C ATOM 0 HA PRO A 18 14.772 6.554 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.328 6.649 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.997 7.345 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.196 4.664 9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.685 5.811 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.186 3.620 11.835 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.017 5.119 12.727 1.00 0.00 H new ATOM 217 N GLU A 19 14.107 5.360 8.183 1.00 0.00 N ATOM 218 CA GLU A 19 13.731 4.775 6.901 1.00 0.00 C ATOM 219 C GLU A 19 13.088 5.819 5.994 1.00 0.00 C ATOM 220 O GLU A 19 12.482 6.781 6.468 1.00 0.00 O ATOM 221 CB GLU A 19 12.769 3.604 7.113 1.00 0.00 C ATOM 222 CG GLU A 19 13.424 2.381 7.730 1.00 0.00 C ATOM 223 CD GLU A 19 14.111 1.504 6.701 1.00 0.00 C ATOM 224 OE1 GLU A 19 15.214 1.876 6.248 1.00 0.00 O ATOM 225 OE2 GLU A 19 13.546 0.449 6.348 1.00 0.00 O ATOM 0 H GLU A 19 13.382 5.934 8.614 1.00 0.00 H new ATOM 0 HA GLU A 19 14.637 4.409 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.950 3.929 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.332 3.326 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.154 2.701 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.669 1.795 8.255 1.00 0.00 H new ATOM 232 N LEU A 20 13.224 5.624 4.687 1.00 0.00 N ATOM 233 CA LEU A 20 12.657 6.549 3.712 1.00 0.00 C ATOM 234 C LEU A 20 11.510 5.897 2.947 1.00 0.00 C ATOM 235 O LEU A 20 11.457 4.678 2.778 1.00 0.00 O ATOM 236 CB LEU A 20 13.737 7.016 2.735 1.00 0.00 C ATOM 237 CG LEU A 20 14.130 6.020 1.643 1.00 0.00 C ATOM 238 CD1 LEU A 20 13.147 6.083 0.484 1.00 0.00 C ATOM 239 CD2 LEU A 20 15.546 6.293 1.158 1.00 0.00 C ATOM 0 H LEU A 20 13.722 4.833 4.278 1.00 0.00 H new ATOM 0 HA LEU A 20 12.266 7.412 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.394 7.933 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.630 7.270 3.306 1.00 0.00 H new ATOM 0 HG LEU A 20 14.098 5.016 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.443 5.368 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.147 5.839 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.146 7.088 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.809 5.575 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.603 7.303 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.241 6.196 1.992 1.00 0.00 H new ATOM 251 N PRO A 21 10.570 6.726 2.469 1.00 0.00 N ATOM 252 CA PRO A 21 9.408 6.253 1.711 1.00 0.00 C ATOM 253 C PRO A 21 9.790 5.733 0.329 1.00 0.00 C ATOM 254 O PRO A 21 10.349 6.465 -0.488 1.00 0.00 O ATOM 255 CB PRO A 21 8.532 7.502 1.589 1.00 0.00 C ATOM 256 CG PRO A 21 9.482 8.644 1.699 1.00 0.00 C ATOM 257 CD PRO A 21 10.569 8.190 2.633 1.00 0.00 C ATOM 0 HA PRO A 21 8.914 5.415 2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.999 7.520 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.779 7.536 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.891 8.907 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.982 9.532 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.533 8.625 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.360 8.479 3.663 1.00 0.00 H new ATOM 265 N LYS A 22 9.484 4.466 0.074 1.00 0.00 N ATOM 266 CA LYS A 22 9.793 3.847 -1.210 1.00 0.00 C ATOM 267 C LYS A 22 8.574 3.856 -2.126 1.00 0.00 C ATOM 268 O LYS A 22 7.492 3.394 -1.763 1.00 0.00 O ATOM 269 CB LYS A 22 10.279 2.411 -1.003 1.00 0.00 C ATOM 270 CG LYS A 22 11.770 2.306 -0.734 1.00 0.00 C ATOM 271 CD LYS A 22 12.144 0.934 -0.197 1.00 0.00 C ATOM 272 CE LYS A 22 11.958 0.856 1.310 1.00 0.00 C ATOM 273 NZ LYS A 22 11.951 -0.552 1.796 1.00 0.00 N ATOM 0 H LYS A 22 9.022 3.847 0.740 1.00 0.00 H new ATOM 0 HA LYS A 22 10.585 4.427 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.736 1.969 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.036 1.823 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.321 2.500 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.066 3.072 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.531 0.173 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.182 0.714 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.759 1.407 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.021 1.340 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.822 -0.562 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.171 -1.071 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.855 -1.007 1.556 1.00 0.00 H new ATOM 287 N PRO A 23 8.750 4.393 -3.342 1.00 0.00 N ATOM 288 CA PRO A 23 7.675 4.473 -4.336 1.00 0.00 C ATOM 289 C PRO A 23 7.293 3.104 -4.888 1.00 0.00 C ATOM 290 O PRO A 23 6.707 2.998 -5.965 1.00 0.00 O ATOM 291 CB PRO A 23 8.277 5.346 -5.440 1.00 0.00 C ATOM 292 CG PRO A 23 9.749 5.161 -5.309 1.00 0.00 C ATOM 293 CD PRO A 23 10.013 4.963 -3.842 1.00 0.00 C ATOM 0 HA PRO A 23 6.755 4.874 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.925 5.038 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.997 6.392 -5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.087 4.300 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.287 6.030 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.853 4.289 -3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.253 5.904 -3.346 1.00 0.00 H new ATOM 301 N LYS A 24 7.628 2.056 -4.142 1.00 0.00 N ATOM 302 CA LYS A 24 7.319 0.692 -4.555 1.00 0.00 C ATOM 303 C LYS A 24 7.428 0.545 -6.070 1.00 0.00 C ATOM 304 O LYS A 24 6.618 -0.138 -6.697 1.00 0.00 O ATOM 305 CB LYS A 24 5.913 0.304 -4.094 1.00 0.00 C ATOM 306 CG LYS A 24 4.837 1.282 -4.534 1.00 0.00 C ATOM 307 CD LYS A 24 4.450 1.068 -5.988 1.00 0.00 C ATOM 308 CE LYS A 24 3.058 1.606 -6.280 1.00 0.00 C ATOM 309 NZ LYS A 24 2.801 1.717 -7.742 1.00 0.00 N ATOM 0 H LYS A 24 8.114 2.126 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 24 8.044 0.024 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.673 -0.686 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.903 0.231 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.957 1.165 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.194 2.303 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.175 1.562 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.486 0.004 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.313 0.950 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.943 2.585 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.842 2.087 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.496 2.363 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.886 0.778 -8.182 1.00 0.00 H new ATOM 323 N LYS A 25 8.434 1.188 -6.652 1.00 0.00 N ATOM 324 CA LYS A 25 8.651 1.126 -8.092 1.00 0.00 C ATOM 325 C LYS A 25 8.382 -0.278 -8.624 1.00 0.00 C ATOM 326 O LYS A 25 7.531 -0.471 -9.491 1.00 0.00 O ATOM 327 CB LYS A 25 10.084 1.546 -8.431 1.00 0.00 C ATOM 328 CG LYS A 25 10.286 1.891 -9.896 1.00 0.00 C ATOM 329 CD LYS A 25 11.558 2.693 -10.110 1.00 0.00 C ATOM 330 CE LYS A 25 12.786 1.795 -10.138 1.00 0.00 C ATOM 331 NZ LYS A 25 13.311 1.531 -8.770 1.00 0.00 N ATOM 0 H LYS A 25 9.113 1.759 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 25 7.954 1.815 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.354 2.409 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.764 0.739 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.330 0.974 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.430 2.461 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.488 3.245 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.663 3.430 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.534 0.850 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.564 2.262 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.349 1.587 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.932 2.240 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.018 0.581 -8.463 1.00 0.00 H new ATOM 345 N ASN A 26 9.112 -1.255 -8.096 1.00 0.00 N ATOM 346 CA ASN A 26 8.951 -2.642 -8.517 1.00 0.00 C ATOM 347 C ASN A 26 8.911 -3.576 -7.311 1.00 0.00 C ATOM 348 O ASN A 26 9.402 -4.703 -7.370 1.00 0.00 O ATOM 349 CB ASN A 26 10.091 -3.049 -9.453 1.00 0.00 C ATOM 350 CG ASN A 26 11.432 -2.505 -9.000 1.00 0.00 C ATOM 351 OD1 ASN A 26 11.861 -1.436 -9.435 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.103 -3.242 -8.122 1.00 0.00 N ATOM 0 H ASN A 26 9.820 -1.112 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 26 8.004 -2.725 -9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.143 -4.136 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.877 -2.689 -10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.012 -2.928 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.709 -4.122 -7.788 1.00 0.00 H new ATOM 359 N ARG A 27 8.322 -3.098 -6.220 1.00 0.00 N ATOM 360 CA ARG A 27 8.218 -3.889 -5.000 1.00 0.00 C ATOM 361 C ARG A 27 6.786 -3.892 -4.473 1.00 0.00 C ATOM 362 O ARG A 27 6.113 -2.860 -4.469 1.00 0.00 O ATOM 363 CB ARG A 27 9.165 -3.342 -3.929 1.00 0.00 C ATOM 364 CG ARG A 27 10.571 -3.915 -4.010 1.00 0.00 C ATOM 365 CD ARG A 27 11.300 -3.790 -2.681 1.00 0.00 C ATOM 366 NE ARG A 27 12.746 -3.686 -2.858 1.00 0.00 N ATOM 367 CZ ARG A 27 13.377 -2.541 -3.096 1.00 0.00 C ATOM 368 NH1 ARG A 27 12.693 -1.409 -3.184 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.695 -2.527 -3.245 1.00 0.00 N ATOM 0 H ARG A 27 7.910 -2.167 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 27 8.502 -4.914 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.218 -2.257 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.750 -3.558 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.521 -4.964 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.133 -3.395 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.936 -2.911 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.072 -4.656 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 27 13.302 -4.539 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.680 -1.415 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.180 -0.532 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.225 -3.396 -3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.178 -1.648 -3.428 1.00 0.00 H new ATOM 383 N CYS A 28 6.325 -5.057 -4.032 1.00 0.00 N ATOM 384 CA CYS A 28 4.973 -5.196 -3.505 1.00 0.00 C ATOM 385 C CYS A 28 4.650 -4.064 -2.534 1.00 0.00 C ATOM 386 O CYS A 28 5.541 -3.511 -1.888 1.00 0.00 O ATOM 387 CB CYS A 28 4.813 -6.546 -2.803 1.00 0.00 C ATOM 388 SG CYS A 28 3.087 -6.981 -2.413 1.00 0.00 S ATOM 0 H CYS A 28 6.869 -5.920 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 28 4.276 -5.144 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.239 -7.325 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.391 -6.534 -1.879 1.00 0.00 H new ATOM 393 N PHE A 29 3.369 -3.724 -2.435 1.00 0.00 N ATOM 394 CA PHE A 29 2.926 -2.658 -1.544 1.00 0.00 C ATOM 395 C PHE A 29 2.342 -3.233 -0.257 1.00 0.00 C ATOM 396 O PHE A 29 1.884 -2.493 0.613 1.00 0.00 O ATOM 397 CB PHE A 29 1.887 -1.779 -2.242 1.00 0.00 C ATOM 398 CG PHE A 29 0.698 -1.458 -1.382 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.204 -2.447 -1.026 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.483 -0.166 -0.929 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.298 -2.155 -0.234 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.609 0.132 -0.137 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.502 -0.864 0.210 1.00 0.00 C ATOM 0 H PHE A 29 2.619 -4.172 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 29 3.793 -2.049 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.361 -0.849 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.546 -2.282 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.050 -3.459 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.177 0.617 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.993 -2.936 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.765 1.143 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.358 -0.633 0.827 1.00 0.00 H new ATOM 413 N MET A 30 2.360 -4.557 -0.145 1.00 0.00 N ATOM 414 CA MET A 30 1.833 -5.231 1.035 1.00 0.00 C ATOM 415 C MET A 30 2.944 -5.948 1.795 1.00 0.00 C ATOM 416 O MET A 30 3.049 -5.834 3.016 1.00 0.00 O ATOM 417 CB MET A 30 0.746 -6.230 0.635 1.00 0.00 C ATOM 418 CG MET A 30 0.543 -7.346 1.647 1.00 0.00 C ATOM 419 SD MET A 30 0.390 -6.732 3.336 1.00 0.00 S ATOM 420 CE MET A 30 -1.374 -6.900 3.598 1.00 0.00 C ATOM 0 H MET A 30 2.734 -5.184 -0.857 1.00 0.00 H new ATOM 0 HA MET A 30 1.399 -4.475 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.195 -5.696 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.004 -6.668 -0.329 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.353 -7.909 1.386 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.382 -8.039 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.601 -6.748 4.653 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.903 -6.156 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.693 -7.898 3.298 1.00 0.00 H new ATOM 430 N CYS A 31 3.773 -6.686 1.064 1.00 0.00 N ATOM 431 CA CYS A 31 4.876 -7.423 1.668 1.00 0.00 C ATOM 432 C CYS A 31 6.212 -6.756 1.352 1.00 0.00 C ATOM 433 O CYS A 31 7.216 -7.006 2.020 1.00 0.00 O ATOM 434 CB CYS A 31 4.885 -8.869 1.169 1.00 0.00 C ATOM 435 SG CYS A 31 5.194 -9.038 -0.618 1.00 0.00 S ATOM 0 H CYS A 31 3.701 -6.789 0.052 1.00 0.00 H new ATOM 0 HA CYS A 31 4.734 -7.420 2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.649 -9.425 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.926 -9.330 1.406 1.00 0.00 H new ATOM 440 N ARG A 32 6.217 -5.907 0.330 1.00 0.00 N ATOM 441 CA ARG A 32 7.429 -5.205 -0.075 1.00 0.00 C ATOM 442 C ARG A 32 8.481 -6.186 -0.585 1.00 0.00 C ATOM 443 O ARG A 32 9.611 -6.211 -0.097 1.00 0.00 O ATOM 444 CB ARG A 32 7.992 -4.399 1.096 1.00 0.00 C ATOM 445 CG ARG A 32 7.016 -3.381 1.661 1.00 0.00 C ATOM 446 CD ARG A 32 6.199 -3.965 2.803 1.00 0.00 C ATOM 447 NE ARG A 32 5.514 -2.930 3.572 1.00 0.00 N ATOM 448 CZ ARG A 32 5.200 -3.055 4.856 1.00 0.00 C ATOM 449 NH1 ARG A 32 5.508 -4.165 5.512 1.00 0.00 N ATOM 450 NH2 ARG A 32 4.577 -2.068 5.488 1.00 0.00 N ATOM 0 H ARG A 32 5.395 -5.688 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 32 7.171 -4.523 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.287 -5.085 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.894 -3.882 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.564 -2.507 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.347 -3.040 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.465 -4.664 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.854 -4.533 3.463 1.00 0.00 H new ATOM 0 HE ARG A 32 5.263 -2.063 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.987 -4.926 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.266 -4.258 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.339 -1.212 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.336 -2.166 6.474 1.00 0.00 H new ATOM 464 N LYS A 33 8.101 -6.994 -1.569 1.00 0.00 N ATOM 465 CA LYS A 33 9.010 -7.977 -2.146 1.00 0.00 C ATOM 466 C LYS A 33 9.263 -7.684 -3.622 1.00 0.00 C ATOM 467 O LYS A 33 8.346 -7.322 -4.359 1.00 0.00 O ATOM 468 CB LYS A 33 8.438 -9.387 -1.986 1.00 0.00 C ATOM 469 CG LYS A 33 9.185 -10.441 -2.786 1.00 0.00 C ATOM 470 CD LYS A 33 8.316 -11.659 -3.051 1.00 0.00 C ATOM 471 CE LYS A 33 9.095 -12.755 -3.763 1.00 0.00 C ATOM 472 NZ LYS A 33 9.330 -12.427 -5.196 1.00 0.00 N ATOM 0 H LYS A 33 7.169 -6.987 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 33 9.959 -7.914 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.459 -9.661 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.392 -9.383 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.514 -10.014 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.081 -10.743 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.927 -12.042 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.457 -11.370 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.052 -12.904 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.548 -13.695 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.002 -13.108 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.430 -12.476 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.722 -11.467 -5.273 1.00 0.00 H new ATOM 486 N LYS A 34 10.512 -7.844 -4.047 1.00 0.00 N ATOM 487 CA LYS A 34 10.885 -7.600 -5.435 1.00 0.00 C ATOM 488 C LYS A 34 9.981 -8.377 -6.386 1.00 0.00 C ATOM 489 O LYS A 34 10.061 -9.602 -6.473 1.00 0.00 O ATOM 490 CB LYS A 34 12.346 -7.992 -5.668 1.00 0.00 C ATOM 491 CG LYS A 34 12.901 -7.509 -6.997 1.00 0.00 C ATOM 492 CD LYS A 34 13.221 -6.024 -6.960 1.00 0.00 C ATOM 493 CE LYS A 34 14.587 -5.764 -6.345 1.00 0.00 C ATOM 494 NZ LYS A 34 15.076 -4.388 -6.641 1.00 0.00 N ATOM 0 H LYS A 34 11.283 -8.142 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 34 10.764 -6.536 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.955 -7.586 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.434 -9.077 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.803 -8.071 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.178 -7.707 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.193 -5.619 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.457 -5.500 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.532 -5.906 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.302 -6.493 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.010 -4.250 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.153 -4.261 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.407 -3.691 -6.255 1.00 0.00 H new ATOM 508 N VAL A 35 9.122 -7.656 -7.100 1.00 0.00 N ATOM 509 CA VAL A 35 8.204 -8.277 -8.047 1.00 0.00 C ATOM 510 C VAL A 35 8.703 -8.119 -9.479 1.00 0.00 C ATOM 511 O VAL A 35 8.624 -9.048 -10.282 1.00 0.00 O ATOM 512 CB VAL A 35 6.791 -7.674 -7.938 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.329 -7.656 -6.489 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.762 -6.274 -8.533 1.00 0.00 C ATOM 0 H VAL A 35 9.043 -6.641 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 35 8.158 -9.337 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 35 6.103 -8.300 -8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.329 -7.227 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.310 -8.674 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.017 -7.054 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.756 -5.863 -8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.462 -5.635 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.047 -6.319 -9.584 1.00 0.00 H new ATOM 524 N GLY A 36 9.218 -6.934 -9.794 1.00 0.00 N ATOM 525 CA GLY A 36 9.723 -6.675 -11.130 1.00 0.00 C ATOM 526 C GLY A 36 8.636 -6.745 -12.184 1.00 0.00 C ATOM 527 O GLY A 36 7.795 -5.850 -12.280 1.00 0.00 O ATOM 0 H GLY A 36 9.294 -6.149 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.186 -5.689 -11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.502 -7.399 -11.367 1.00 0.00 H new ATOM 531 N LEU A 37 8.652 -7.810 -12.978 1.00 0.00 N ATOM 532 CA LEU A 37 7.660 -7.993 -14.032 1.00 0.00 C ATOM 533 C LEU A 37 6.416 -8.693 -13.495 1.00 0.00 C ATOM 534 O LEU A 37 5.298 -8.423 -13.935 1.00 0.00 O ATOM 535 CB LEU A 37 8.257 -8.802 -15.185 1.00 0.00 C ATOM 536 CG LEU A 37 7.744 -8.456 -16.584 1.00 0.00 C ATOM 537 CD1 LEU A 37 6.253 -8.738 -16.690 1.00 0.00 C ATOM 538 CD2 LEU A 37 8.038 -7.000 -16.915 1.00 0.00 C ATOM 0 H LEU A 37 9.341 -8.560 -12.912 1.00 0.00 H new ATOM 0 HA LEU A 37 7.369 -7.008 -14.398 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.339 -8.670 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.063 -9.859 -15.000 1.00 0.00 H new ATOM 0 HG LEU A 37 8.264 -9.084 -17.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.905 -8.486 -17.692 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.068 -9.795 -16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.716 -8.136 -15.957 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.666 -6.772 -17.914 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.545 -6.355 -16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.114 -6.829 -16.881 1.00 0.00 H new ATOM 550 N THR A 38 6.618 -9.594 -12.538 1.00 0.00 N ATOM 551 CA THR A 38 5.513 -10.333 -11.939 1.00 0.00 C ATOM 552 C THR A 38 4.625 -9.415 -11.107 1.00 0.00 C ATOM 553 O THR A 38 3.638 -9.855 -10.519 1.00 0.00 O ATOM 554 CB THR A 38 6.023 -11.481 -11.048 1.00 0.00 C ATOM 555 OG1 THR A 38 6.903 -10.967 -10.042 1.00 0.00 O ATOM 556 CG2 THR A 38 6.750 -12.528 -11.878 1.00 0.00 C ATOM 0 H THR A 38 7.536 -9.829 -12.161 1.00 0.00 H new ATOM 0 HA THR A 38 4.930 -10.751 -12.760 1.00 0.00 H new ATOM 0 HB THR A 38 5.163 -11.951 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.277 -10.112 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.101 -13.329 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.069 -12.939 -12.623 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.602 -12.068 -12.379 1.00 0.00 H new ATOM 564 N GLY A 39 4.982 -8.135 -11.062 1.00 0.00 N ATOM 565 CA GLY A 39 4.206 -7.174 -10.299 1.00 0.00 C ATOM 566 C GLY A 39 2.734 -7.202 -10.659 1.00 0.00 C ATOM 567 O GLY A 39 2.351 -7.740 -11.699 1.00 0.00 O ATOM 0 H GLY A 39 5.795 -7.746 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.321 -7.382 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.601 -6.173 -10.473 1.00 0.00 H new ATOM 571 N PHE A 40 1.905 -6.623 -9.797 1.00 0.00 N ATOM 572 CA PHE A 40 0.465 -6.586 -10.028 1.00 0.00 C ATOM 573 C PHE A 40 -0.109 -5.219 -9.665 1.00 0.00 C ATOM 574 O PHE A 40 -0.041 -4.792 -8.513 1.00 0.00 O ATOM 575 CB PHE A 40 -0.232 -7.677 -9.213 1.00 0.00 C ATOM 576 CG PHE A 40 -1.372 -8.332 -9.939 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.646 -7.791 -9.888 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.169 -9.489 -10.675 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.697 -8.392 -10.554 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.215 -10.094 -11.344 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.481 -9.544 -11.285 1.00 0.00 C ATOM 0 H PHE A 40 2.205 -6.173 -8.932 1.00 0.00 H new ATOM 0 HA PHE A 40 0.288 -6.765 -11.088 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.499 -8.438 -8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.604 -7.244 -8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.820 -6.889 -9.321 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.181 -9.923 -10.726 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.686 -7.962 -10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.043 -10.996 -11.913 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.300 -10.014 -11.809 1.00 0.00 H new ATOM 591 N ASP A 41 -0.673 -4.539 -10.657 1.00 0.00 N ATOM 592 CA ASP A 41 -1.259 -3.221 -10.443 1.00 0.00 C ATOM 593 C ASP A 41 -2.746 -3.334 -10.119 1.00 0.00 C ATOM 594 O ASP A 41 -3.553 -3.698 -10.974 1.00 0.00 O ATOM 595 CB ASP A 41 -1.060 -2.344 -11.681 1.00 0.00 C ATOM 596 CG ASP A 41 -2.065 -1.212 -11.756 1.00 0.00 C ATOM 597 OD1 ASP A 41 -2.203 -0.474 -10.758 1.00 0.00 O ATOM 598 OD2 ASP A 41 -2.715 -1.064 -12.812 1.00 0.00 O ATOM 0 H ASP A 41 -0.737 -4.878 -11.617 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.754 -2.759 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.051 -1.931 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.144 -2.960 -12.576 1.00 0.00 H new ATOM 603 N CYS A 42 -3.100 -3.020 -8.877 1.00 0.00 N ATOM 604 CA CYS A 42 -4.489 -3.087 -8.438 1.00 0.00 C ATOM 605 C CYS A 42 -5.235 -1.805 -8.797 1.00 0.00 C ATOM 606 O CYS A 42 -4.625 -0.800 -9.159 1.00 0.00 O ATOM 607 CB CYS A 42 -4.557 -3.324 -6.928 1.00 0.00 C ATOM 608 SG CYS A 42 -6.222 -3.732 -6.314 1.00 0.00 S ATOM 0 H CYS A 42 -2.444 -2.717 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.967 -3.921 -8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.877 -4.135 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.201 -2.431 -6.414 1.00 0.00 H new ATOM 613 N ARG A 43 -6.560 -1.850 -8.693 1.00 0.00 N ATOM 614 CA ARG A 43 -7.390 -0.693 -9.007 1.00 0.00 C ATOM 615 C ARG A 43 -7.185 0.418 -7.982 1.00 0.00 C ATOM 616 O ARG A 43 -7.253 1.602 -8.312 1.00 0.00 O ATOM 617 CB ARG A 43 -8.865 -1.095 -9.052 1.00 0.00 C ATOM 618 CG ARG A 43 -9.159 -2.228 -10.022 1.00 0.00 C ATOM 619 CD ARG A 43 -9.416 -1.706 -11.427 1.00 0.00 C ATOM 620 NE ARG A 43 -9.662 -2.787 -12.376 1.00 0.00 N ATOM 621 CZ ARG A 43 -10.350 -2.635 -13.503 1.00 0.00 C ATOM 622 NH1 ARG A 43 -10.857 -1.451 -13.818 1.00 0.00 N ATOM 623 NH2 ARG A 43 -10.531 -3.667 -14.316 1.00 0.00 N ATOM 0 H ARG A 43 -7.081 -2.674 -8.394 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.092 -0.319 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.182 -1.392 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.461 -0.226 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.318 -2.922 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.028 -2.788 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.274 -1.034 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.558 -1.121 -11.759 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.285 -3.710 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.719 -0.655 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.385 -1.336 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.142 -4.579 -14.077 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.059 -3.549 -15.180 1.00 0.00 H new ATOM 637 N CYS A 44 -6.934 0.028 -6.736 1.00 0.00 N ATOM 638 CA CYS A 44 -6.720 0.989 -5.662 1.00 0.00 C ATOM 639 C CYS A 44 -5.486 1.844 -5.934 1.00 0.00 C ATOM 640 O CYS A 44 -5.215 2.808 -5.219 1.00 0.00 O ATOM 641 CB CYS A 44 -6.567 0.264 -4.323 1.00 0.00 C ATOM 642 SG CYS A 44 -5.102 -0.814 -4.225 1.00 0.00 S ATOM 0 H CYS A 44 -6.874 -0.948 -6.446 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.590 1.644 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.514 1.005 -3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.459 -0.336 -4.143 1.00 0.00 H new ATOM 647 N GLY A 45 -4.740 1.482 -6.974 1.00 0.00 N ATOM 648 CA GLY A 45 -3.543 2.225 -7.323 1.00 0.00 C ATOM 649 C GLY A 45 -2.329 1.772 -6.536 1.00 0.00 C ATOM 650 O GLY A 45 -1.545 2.594 -6.064 1.00 0.00 O ATOM 0 H GLY A 45 -4.943 0.688 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.345 2.109 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.713 3.287 -7.144 1.00 0.00 H new ATOM 654 N ASN A 46 -2.175 0.460 -6.394 1.00 0.00 N ATOM 655 CA ASN A 46 -1.049 -0.102 -5.656 1.00 0.00 C ATOM 656 C ASN A 46 -0.400 -1.240 -6.438 1.00 0.00 C ATOM 657 O ASN A 46 -0.929 -1.690 -7.456 1.00 0.00 O ATOM 658 CB ASN A 46 -1.509 -0.606 -4.287 1.00 0.00 C ATOM 659 CG ASN A 46 -1.472 0.479 -3.229 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.532 1.272 -3.170 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.497 0.518 -2.386 1.00 0.00 N ATOM 0 H ASN A 46 -2.815 -0.234 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.310 0.686 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.524 -0.996 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.873 -1.435 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.527 1.226 -1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.254 -0.160 -2.472 1.00 0.00 H new ATOM 668 N LEU A 47 0.749 -1.701 -5.957 1.00 0.00 N ATOM 669 CA LEU A 47 1.471 -2.787 -6.610 1.00 0.00 C ATOM 670 C LEU A 47 1.572 -4.003 -5.693 1.00 0.00 C ATOM 671 O LEU A 47 1.872 -3.875 -4.506 1.00 0.00 O ATOM 672 CB LEU A 47 2.871 -2.324 -7.016 1.00 0.00 C ATOM 673 CG LEU A 47 3.889 -3.430 -7.298 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.609 -4.082 -8.643 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.305 -2.875 -7.258 1.00 0.00 C ATOM 0 H LEU A 47 1.201 -1.340 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 47 0.916 -3.073 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.782 -1.704 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.266 -1.688 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 47 3.796 -4.189 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.343 -4.866 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.609 -4.515 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.674 -3.332 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.016 -3.676 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.412 -2.096 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.503 -2.455 -6.272 1.00 0.00 H new ATOM 687 N PHE A 48 1.320 -5.182 -6.253 1.00 0.00 N ATOM 688 CA PHE A 48 1.383 -6.421 -5.486 1.00 0.00 C ATOM 689 C PHE A 48 2.152 -7.494 -6.251 1.00 0.00 C ATOM 690 O PHE A 48 2.231 -7.462 -7.479 1.00 0.00 O ATOM 691 CB PHE A 48 -0.027 -6.918 -5.164 1.00 0.00 C ATOM 692 CG PHE A 48 -0.887 -5.889 -4.489 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.570 -4.940 -5.234 1.00 0.00 C ATOM 694 CD2 PHE A 48 -1.014 -5.869 -3.110 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.361 -3.991 -4.615 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.804 -4.922 -2.485 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.479 -3.983 -3.239 1.00 0.00 C ATOM 0 H PHE A 48 1.070 -5.305 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 48 1.909 -6.217 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.511 -7.235 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.044 -7.797 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.483 -4.942 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.489 -6.602 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.887 -3.256 -5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.893 -4.917 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.098 -3.243 -2.754 1.00 0.00 H new ATOM 707 N CYS A 49 2.717 -8.446 -5.515 1.00 0.00 N ATOM 708 CA CYS A 49 3.481 -9.530 -6.121 1.00 0.00 C ATOM 709 C CYS A 49 2.554 -10.630 -6.628 1.00 0.00 C ATOM 710 O CYS A 49 2.964 -11.780 -6.783 1.00 0.00 O ATOM 711 CB CYS A 49 4.473 -10.109 -5.111 1.00 0.00 C ATOM 712 SG CYS A 49 3.698 -10.771 -3.602 1.00 0.00 S ATOM 0 H CYS A 49 2.660 -8.488 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 49 4.032 -9.124 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.043 -10.904 -5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.184 -9.332 -4.830 1.00 0.00 H new ATOM 717 N GLY A 50 1.300 -10.269 -6.887 1.00 0.00 N ATOM 718 CA GLY A 50 0.335 -11.237 -7.374 1.00 0.00 C ATOM 719 C GLY A 50 -0.267 -12.067 -6.258 1.00 0.00 C ATOM 720 O GLY A 50 -1.434 -12.457 -6.324 1.00 0.00 O ATOM 0 H GLY A 50 0.936 -9.324 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.461 -10.716 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.819 -11.898 -8.093 1.00 0.00 H new ATOM 724 N LEU A 51 0.529 -12.341 -5.231 1.00 0.00 N ATOM 725 CA LEU A 51 0.069 -13.133 -4.095 1.00 0.00 C ATOM 726 C LEU A 51 -0.872 -12.321 -3.211 1.00 0.00 C ATOM 727 O LEU A 51 -1.638 -12.879 -2.425 1.00 0.00 O ATOM 728 CB LEU A 51 1.262 -13.625 -3.274 1.00 0.00 C ATOM 729 CG LEU A 51 2.145 -14.681 -3.940 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.225 -14.020 -4.783 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.767 -15.593 -2.893 1.00 0.00 C ATOM 0 H LEU A 51 1.497 -12.026 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.477 -13.994 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.884 -12.766 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.888 -14.033 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 51 1.521 -15.287 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.843 -14.787 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.760 -13.409 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.847 -13.389 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.392 -16.338 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.377 -15.001 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.978 -16.094 -2.332 1.00 0.00 H new ATOM 743 N HIS A 52 -0.809 -11.000 -3.346 1.00 0.00 N ATOM 744 CA HIS A 52 -1.658 -10.110 -2.560 1.00 0.00 C ATOM 745 C HIS A 52 -2.605 -9.326 -3.463 1.00 0.00 C ATOM 746 O HIS A 52 -3.549 -8.693 -2.988 1.00 0.00 O ATOM 747 CB HIS A 52 -0.800 -9.145 -1.741 1.00 0.00 C ATOM 748 CG HIS A 52 0.003 -9.819 -0.671 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.377 -9.919 -0.712 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.383 -10.426 0.476 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.802 -10.561 0.362 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.754 -10.879 1.099 1.00 0.00 N ATOM 0 H HIS A 52 -0.180 -10.522 -3.991 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.253 -10.721 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.124 -8.614 -2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.446 -8.397 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.396 -10.534 0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.832 -10.787 0.597 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.784 -11.380 1.987 1.00 0.00 H new ATOM 760 N ARG A 53 -2.347 -9.372 -4.766 1.00 0.00 N ATOM 761 CA ARG A 53 -3.176 -8.665 -5.734 1.00 0.00 C ATOM 762 C ARG A 53 -4.641 -8.676 -5.308 1.00 0.00 C ATOM 763 O ARG A 53 -5.283 -7.629 -5.227 1.00 0.00 O ATOM 764 CB ARG A 53 -3.032 -9.298 -7.120 1.00 0.00 C ATOM 765 CG ARG A 53 -3.595 -10.707 -7.207 1.00 0.00 C ATOM 766 CD ARG A 53 -3.119 -11.420 -8.463 1.00 0.00 C ATOM 767 NE ARG A 53 -3.954 -12.574 -8.787 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.221 -12.478 -9.175 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.795 -11.289 -9.289 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.916 -13.574 -9.453 1.00 0.00 N ATOM 0 H ARG A 53 -1.570 -9.891 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.836 -7.630 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.537 -8.668 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.977 -9.320 -7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.293 -11.276 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.684 -10.666 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.125 -10.722 -9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.088 -11.746 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.542 -13.504 -8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.264 -10.444 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.768 -11.219 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.477 -14.491 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.889 -13.499 -9.751 1.00 0.00 H new ATOM 784 N TYR A 54 -5.163 -9.867 -5.036 1.00 0.00 N ATOM 785 CA TYR A 54 -6.553 -10.016 -4.621 1.00 0.00 C ATOM 786 C TYR A 54 -6.965 -8.885 -3.684 1.00 0.00 C ATOM 787 O TYR A 54 -6.125 -8.270 -3.027 1.00 0.00 O ATOM 788 CB TYR A 54 -6.759 -11.366 -3.931 1.00 0.00 C ATOM 789 CG TYR A 54 -6.248 -12.540 -4.734 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.903 -12.887 -4.715 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.110 -13.304 -5.512 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.431 -13.959 -5.448 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.648 -14.378 -6.246 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.308 -14.702 -6.212 1.00 0.00 C ATOM 795 OH TYR A 54 -4.842 -15.771 -6.942 1.00 0.00 O ATOM 0 H TYR A 54 -4.644 -10.743 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.179 -9.972 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.256 -11.351 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.822 -11.506 -3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.214 -12.309 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.160 -13.053 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.382 -14.214 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.332 -14.962 -6.844 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.587 -16.188 -7.423 1.00 0.00 H new ATOM 805 N SER A 55 -8.266 -8.617 -3.627 1.00 0.00 N ATOM 806 CA SER A 55 -8.791 -7.558 -2.773 1.00 0.00 C ATOM 807 C SER A 55 -8.897 -8.029 -1.326 1.00 0.00 C ATOM 808 O SER A 55 -8.699 -7.251 -0.392 1.00 0.00 O ATOM 809 CB SER A 55 -10.164 -7.103 -3.274 1.00 0.00 C ATOM 810 OG SER A 55 -11.020 -8.212 -3.492 1.00 0.00 O ATOM 0 H SER A 55 -8.975 -9.118 -4.162 1.00 0.00 H new ATOM 0 HA SER A 55 -8.099 -6.717 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.615 -6.429 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.049 -6.541 -4.201 1.00 0.00 H new ATOM 0 HG SER A 55 -11.891 -7.895 -3.810 1.00 0.00 H new ATOM 816 N ASP A 56 -9.209 -9.308 -1.148 1.00 0.00 N ATOM 817 CA ASP A 56 -9.340 -9.885 0.185 1.00 0.00 C ATOM 818 C ASP A 56 -8.004 -10.441 0.670 1.00 0.00 C ATOM 819 O ASP A 56 -7.956 -11.256 1.591 1.00 0.00 O ATOM 820 CB ASP A 56 -10.396 -10.991 0.183 1.00 0.00 C ATOM 821 CG ASP A 56 -11.094 -11.127 1.522 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.400 -11.365 2.533 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.335 -10.993 1.560 1.00 0.00 O ATOM 0 H ASP A 56 -9.376 -9.965 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.654 -9.095 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.136 -10.782 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.925 -11.939 -0.076 1.00 0.00 H new ATOM 828 N LYS A 57 -6.921 -9.994 0.043 1.00 0.00 N ATOM 829 CA LYS A 57 -5.584 -10.446 0.410 1.00 0.00 C ATOM 830 C LYS A 57 -4.779 -9.310 1.034 1.00 0.00 C ATOM 831 O LYS A 57 -4.035 -9.518 1.994 1.00 0.00 O ATOM 832 CB LYS A 57 -4.852 -10.989 -0.819 1.00 0.00 C ATOM 833 CG LYS A 57 -5.192 -12.434 -1.141 1.00 0.00 C ATOM 834 CD LYS A 57 -4.680 -13.380 -0.068 1.00 0.00 C ATOM 835 CE LYS A 57 -4.941 -14.832 -0.435 1.00 0.00 C ATOM 836 NZ LYS A 57 -6.391 -15.167 -0.379 1.00 0.00 N ATOM 0 H LYS A 57 -6.943 -9.319 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.686 -11.243 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.095 -10.367 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.777 -10.905 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.272 -12.542 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.758 -12.705 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.610 -13.226 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.164 -13.151 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.562 -15.027 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.392 -15.483 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.522 -16.178 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.759 -14.958 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.906 -14.600 -1.083 1.00 0.00 H new ATOM 850 N HIS A 58 -4.933 -8.110 0.485 1.00 0.00 N ATOM 851 CA HIS A 58 -4.221 -6.941 0.990 1.00 0.00 C ATOM 852 C HIS A 58 -5.199 -5.899 1.525 1.00 0.00 C ATOM 853 O HIS A 58 -4.849 -4.730 1.683 1.00 0.00 O ATOM 854 CB HIS A 58 -3.357 -6.328 -0.113 1.00 0.00 C ATOM 855 CG HIS A 58 -4.151 -5.664 -1.196 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.187 -6.128 -2.494 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.942 -4.566 -1.168 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.965 -5.343 -3.218 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.436 -4.388 -2.437 1.00 0.00 N ATOM 0 H HIS A 58 -5.544 -7.921 -0.309 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.577 -7.263 1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.681 -5.597 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.738 -7.109 -0.554 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.691 -6.949 -2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.147 -3.946 -0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.179 -5.462 -4.270 1.00 0.00 H new ATOM 867 N ASN A 59 -6.425 -6.331 1.800 1.00 0.00 N ATOM 868 CA ASN A 59 -7.453 -5.435 2.316 1.00 0.00 C ATOM 869 C ASN A 59 -7.649 -4.240 1.388 1.00 0.00 C ATOM 870 O ASN A 59 -7.629 -3.090 1.826 1.00 0.00 O ATOM 871 CB ASN A 59 -7.080 -4.950 3.718 1.00 0.00 C ATOM 872 CG ASN A 59 -6.755 -6.095 4.658 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.644 -6.827 5.095 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.475 -6.255 4.975 1.00 0.00 N ATOM 0 H ASN A 59 -6.731 -7.296 1.674 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.390 -5.990 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.221 -4.283 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.905 -4.368 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.196 -7.008 5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.772 -5.625 4.590 1.00 0.00 H new ATOM 881 N CYS A 60 -7.840 -4.521 0.103 1.00 0.00 N ATOM 882 CA CYS A 60 -8.040 -3.471 -0.888 1.00 0.00 C ATOM 883 C CYS A 60 -9.139 -2.508 -0.447 1.00 0.00 C ATOM 884 O CYS A 60 -10.293 -2.891 -0.253 1.00 0.00 O ATOM 885 CB CYS A 60 -8.396 -4.082 -2.244 1.00 0.00 C ATOM 886 SG CYS A 60 -8.398 -2.888 -3.620 1.00 0.00 S ATOM 0 H CYS A 60 -7.860 -5.468 -0.276 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.109 -2.913 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.687 -4.878 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.381 -4.543 -2.175 1.00 0.00 H new ATOM 891 N PRO A 61 -8.773 -1.228 -0.283 1.00 0.00 N ATOM 892 CA PRO A 61 -9.713 -0.184 0.136 1.00 0.00 C ATOM 893 C PRO A 61 -10.736 0.144 -0.946 1.00 0.00 C ATOM 894 O PRO A 61 -11.848 0.582 -0.651 1.00 0.00 O ATOM 895 CB PRO A 61 -8.809 1.022 0.400 1.00 0.00 C ATOM 896 CG PRO A 61 -7.609 0.789 -0.452 1.00 0.00 C ATOM 897 CD PRO A 61 -7.415 -0.701 -0.496 1.00 0.00 C ATOM 0 HA PRO A 61 -10.302 -0.490 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.307 1.955 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.539 1.091 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.757 1.193 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.732 1.284 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.004 -1.025 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.726 -1.040 0.278 1.00 0.00 H new ATOM 905 N TYR A 62 -10.354 -0.072 -2.200 1.00 0.00 N ATOM 906 CA TYR A 62 -11.238 0.202 -3.327 1.00 0.00 C ATOM 907 C TYR A 62 -12.626 -0.383 -3.085 1.00 0.00 C ATOM 908 O TYR A 62 -12.875 -1.016 -2.059 1.00 0.00 O ATOM 909 CB TYR A 62 -10.648 -0.371 -4.616 1.00 0.00 C ATOM 910 CG TYR A 62 -10.718 0.580 -5.789 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.029 1.786 -5.773 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.474 0.273 -6.914 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.091 2.659 -6.842 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.540 1.139 -7.988 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.847 2.331 -7.947 1.00 0.00 C ATOM 916 OH TYR A 62 -10.912 3.196 -9.015 1.00 0.00 O ATOM 0 H TYR A 62 -9.438 -0.436 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.332 1.283 -3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.607 -0.642 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.177 -1.289 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.434 2.046 -4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.019 -0.659 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.550 3.593 -6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.131 0.884 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.486 2.814 -9.711 1.00 0.00 H new ATOM 926 N ASP A 63 -13.526 -0.167 -4.038 1.00 0.00 N ATOM 927 CA ASP A 63 -14.889 -0.673 -3.932 1.00 0.00 C ATOM 928 C ASP A 63 -15.284 -1.440 -5.190 1.00 0.00 C ATOM 929 O ASP A 63 -16.258 -2.193 -5.191 1.00 0.00 O ATOM 930 CB ASP A 63 -15.867 0.479 -3.694 1.00 0.00 C ATOM 931 CG ASP A 63 -16.394 1.067 -4.988 1.00 0.00 C ATOM 932 OD1 ASP A 63 -15.664 1.023 -6.000 1.00 0.00 O ATOM 933 OD2 ASP A 63 -17.537 1.572 -4.988 1.00 0.00 O ATOM 0 H ASP A 63 -13.336 0.356 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.931 -1.356 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.704 0.123 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.370 1.260 -3.119 1.00 0.00 H new ATOM 938 N TYR A 64 -14.522 -1.243 -6.260 1.00 0.00 N ATOM 939 CA TYR A 64 -14.794 -1.913 -7.526 1.00 0.00 C ATOM 940 C TYR A 64 -15.327 -3.323 -7.293 1.00 0.00 C ATOM 941 O TYR A 64 -16.118 -3.839 -8.082 1.00 0.00 O ATOM 942 CB TYR A 64 -13.526 -1.970 -8.380 1.00 0.00 C ATOM 943 CG TYR A 64 -12.486 -2.935 -7.857 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.134 -2.946 -6.513 1.00 0.00 C ATOM 945 CD2 TYR A 64 -11.857 -3.837 -8.706 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.184 -3.825 -6.030 1.00 0.00 C ATOM 947 CE2 TYR A 64 -10.907 -4.721 -8.232 1.00 0.00 C ATOM 948 CZ TYR A 64 -10.574 -4.711 -6.894 1.00 0.00 C ATOM 949 OH TYR A 64 -9.628 -5.590 -6.417 1.00 0.00 O ATOM 0 H TYR A 64 -13.711 -0.625 -6.276 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.555 -1.339 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.796 -2.256 -9.397 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -13.089 -0.973 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.611 -2.255 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.115 -3.847 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.920 -3.819 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.428 -5.416 -8.906 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.297 -6.146 -7.153 1.00 0.00 H new ATOM 959 N LYS A 65 -14.888 -3.941 -6.202 1.00 0.00 N ATOM 960 CA LYS A 65 -15.321 -5.291 -5.860 1.00 0.00 C ATOM 961 C LYS A 65 -16.812 -5.468 -6.128 1.00 0.00 C ATOM 962 O LYS A 65 -17.236 -6.480 -6.686 1.00 0.00 O ATOM 963 CB LYS A 65 -15.016 -5.589 -4.390 1.00 0.00 C ATOM 964 CG LYS A 65 -15.706 -4.644 -3.422 1.00 0.00 C ATOM 965 CD LYS A 65 -15.247 -4.877 -1.992 1.00 0.00 C ATOM 966 CE LYS A 65 -13.874 -4.273 -1.742 1.00 0.00 C ATOM 967 NZ LYS A 65 -13.708 -3.842 -0.326 1.00 0.00 N ATOM 0 H LYS A 65 -14.232 -3.528 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.772 -5.993 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.319 -6.611 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.939 -5.534 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.498 -3.613 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.785 -4.781 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.969 -4.441 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.217 -5.947 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.105 -5.004 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.728 -3.418 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.760 -3.436 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.426 -3.126 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.822 -4.663 0.302 1.00 0.00 H new ATOM 981 N ALA A 66 -17.602 -4.478 -5.727 1.00 0.00 N ATOM 982 CA ALA A 66 -19.045 -4.524 -5.927 1.00 0.00 C ATOM 983 C ALA A 66 -19.495 -3.465 -6.928 1.00 0.00 C ATOM 984 O ALA A 66 -20.467 -2.748 -6.692 1.00 0.00 O ATOM 985 CB ALA A 66 -19.768 -4.339 -4.601 1.00 0.00 C ATOM 0 H ALA A 66 -17.267 -3.634 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.299 -5.503 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.845 -4.376 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.479 -5.135 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.499 -3.374 -4.172 1.00 0.00 H new ATOM 991 N GLU A 67 -18.780 -3.373 -8.045 1.00 0.00 N ATOM 992 CA GLU A 67 -19.106 -2.400 -9.081 1.00 0.00 C ATOM 993 C GLU A 67 -20.145 -2.961 -10.048 1.00 0.00 C ATOM 994 O GLU A 67 -20.057 -2.756 -11.258 1.00 0.00 O ATOM 995 CB GLU A 67 -17.845 -1.997 -9.848 1.00 0.00 C ATOM 996 CG GLU A 67 -17.891 -0.580 -10.395 1.00 0.00 C ATOM 997 CD GLU A 67 -17.058 -0.411 -11.650 1.00 0.00 C ATOM 998 OE1 GLU A 67 -17.575 -0.698 -12.750 1.00 0.00 O ATOM 999 OE2 GLU A 67 -15.887 0.009 -11.532 1.00 0.00 O ATOM 0 H GLU A 67 -17.972 -3.960 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.525 -1.519 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.982 -2.095 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.695 -2.692 -10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.925 -0.312 -10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.535 0.112 -9.632 1.00 0.00 H new ATOM 1006 N ALA A 68 -21.128 -3.671 -9.503 1.00 0.00 N ATOM 1007 CA ALA A 68 -22.185 -4.261 -10.316 1.00 0.00 C ATOM 1008 C ALA A 68 -23.558 -3.763 -9.876 1.00 0.00 C ATOM 1009 O ALA A 68 -24.319 -3.223 -10.679 1.00 0.00 O ATOM 1010 CB ALA A 68 -22.123 -5.779 -10.241 1.00 0.00 C ATOM 0 H ALA A 68 -21.214 -3.851 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 68 -22.030 -3.953 -11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -22.918 -6.206 -10.853 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.157 -6.122 -10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -22.250 -6.098 -9.206 1.00 0.00 H new ATOM 1016 N SER A 69 -23.868 -3.950 -8.598 1.00 0.00 N ATOM 1017 CA SER A 69 -25.152 -3.524 -8.053 1.00 0.00 C ATOM 1018 C SER A 69 -25.303 -2.008 -8.140 1.00 0.00 C ATOM 1019 O SER A 69 -24.346 -1.264 -7.929 1.00 0.00 O ATOM 1020 CB SER A 69 -25.289 -3.978 -6.598 1.00 0.00 C ATOM 1021 OG SER A 69 -25.820 -5.290 -6.522 1.00 0.00 O ATOM 0 H SER A 69 -23.248 -4.394 -7.920 1.00 0.00 H new ATOM 0 HA SER A 69 -25.941 -3.986 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.314 -3.948 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 69 -25.937 -3.288 -6.058 1.00 0.00 H new ATOM 0 HG SER A 69 -25.896 -5.558 -5.582 1.00 0.00 H new ATOM 1027 N GLY A 70 -26.514 -1.558 -8.454 1.00 0.00 N ATOM 1028 CA GLY A 70 -26.770 -0.133 -8.564 1.00 0.00 C ATOM 1029 C GLY A 70 -28.163 0.167 -9.080 1.00 0.00 C ATOM 1030 O GLY A 70 -28.340 0.748 -10.151 1.00 0.00 O ATOM 0 H GLY A 70 -27.322 -2.154 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -26.639 0.333 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.034 0.315 -9.232 1.00 0.00 H new ATOM 1034 N PRO A 71 -29.184 -0.236 -8.309 1.00 0.00 N ATOM 1035 CA PRO A 71 -30.587 -0.018 -8.675 1.00 0.00 C ATOM 1036 C PRO A 71 -30.983 1.453 -8.602 1.00 0.00 C ATOM 1037 O PRO A 71 -30.151 2.317 -8.328 1.00 0.00 O ATOM 1038 CB PRO A 71 -31.356 -0.831 -7.631 1.00 0.00 C ATOM 1039 CG PRO A 71 -30.442 -0.903 -6.457 1.00 0.00 C ATOM 1040 CD PRO A 71 -29.047 -0.934 -7.019 1.00 0.00 C ATOM 0 HA PRO A 71 -30.791 -0.317 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -32.298 -0.349 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -31.599 -1.826 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -30.580 -0.043 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -30.642 -1.793 -5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -28.338 -0.430 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -28.689 -1.955 -7.150 1.00 0.00 H new ATOM 1048 N SER A 72 -32.260 1.730 -8.848 1.00 0.00 N ATOM 1049 CA SER A 72 -32.766 3.097 -8.813 1.00 0.00 C ATOM 1050 C SER A 72 -33.278 3.452 -7.421 1.00 0.00 C ATOM 1051 O SER A 72 -34.475 3.371 -7.148 1.00 0.00 O ATOM 1052 CB SER A 72 -33.885 3.275 -9.841 1.00 0.00 C ATOM 1053 OG SER A 72 -34.381 4.603 -9.830 1.00 0.00 O ATOM 0 H SER A 72 -32.963 1.026 -9.074 1.00 0.00 H new ATOM 0 HA SER A 72 -31.944 3.769 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 72 -33.512 3.031 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 72 -34.696 2.579 -9.625 1.00 0.00 H new ATOM 0 HG SER A 72 -35.094 4.691 -10.497 1.00 0.00 H new ATOM 1059 N SER A 73 -32.360 3.845 -6.542 1.00 0.00 N ATOM 1060 CA SER A 73 -32.717 4.208 -5.176 1.00 0.00 C ATOM 1061 C SER A 73 -32.567 5.711 -4.957 1.00 0.00 C ATOM 1062 O SER A 73 -31.481 6.200 -4.650 1.00 0.00 O ATOM 1063 CB SER A 73 -31.842 3.447 -4.178 1.00 0.00 C ATOM 1064 OG SER A 73 -32.319 3.609 -2.854 1.00 0.00 O ATOM 0 H SER A 73 -31.365 3.920 -6.752 1.00 0.00 H new ATOM 0 HA SER A 73 -33.760 3.936 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 73 -31.828 2.388 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 73 -30.814 3.805 -4.244 1.00 0.00 H new ATOM 0 HG SER A 73 -31.744 3.112 -2.236 1.00 0.00 H new ATOM 1070 N GLY A 74 -33.669 6.439 -5.119 1.00 0.00 N ATOM 1071 CA GLY A 74 -33.640 7.878 -4.936 1.00 0.00 C ATOM 1072 C GLY A 74 -34.993 8.439 -4.544 1.00 0.00 C ATOM 1073 O GLY A 74 -35.154 9.659 -4.533 1.00 0.00 O ATOM 0 H GLY A 74 -34.580 6.057 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -32.909 8.129 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -33.307 8.352 -5.859 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.253 -9.246 -1.918 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -6.070 -2.919 -4.115 1.00 0.00 ZN