USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.8!) USER MOD Single : A 5 ASN : amide:sc= -3.85 K(o=-3.9,f=-9.4!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0031) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -50:sc= 0.123 USER MOD Single : A 10 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.9!) USER MOD Single : A 13 THR OG1 : rot -21:sc= 0.549 USER MOD Single : A 14 THR OG1 : rot 16:sc= 0.291! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 94:sc= 0.248 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.522 K(o=0.52,f=-3.3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -3.58! (180deg=-7.59!) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 1 (180deg=0.172) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -4.39! C(o=-4.4!,f=-10!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.042) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 52 ASN : amide:sc= -2.77 K(o=-2.8,f=-0.67) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -4 K(o=-4,f=-12!) USER MOD Single : A 61 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.640 15.133 -1.215 1.00 0.00 N ATOM 2 CA LEU A 1 4.039 13.980 -1.937 1.00 0.00 C ATOM 3 C LEU A 1 2.737 13.538 -1.280 1.00 0.00 C ATOM 4 O LEU A 1 2.602 13.575 -0.056 1.00 0.00 O ATOM 5 CB LEU A 1 5.047 12.829 -1.940 1.00 0.00 C ATOM 6 CG LEU A 1 4.952 11.890 -3.145 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.312 11.285 -3.457 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.926 10.798 -2.886 1.00 0.00 C ATOM 0 H1 LEU A 1 5.525 15.413 -1.684 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.975 15.933 -1.224 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.840 14.861 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 1 3.806 14.278 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 1 6.053 13.247 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.910 12.244 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 1 4.628 12.468 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.226 10.620 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.021 12.081 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.665 10.719 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.870 10.138 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.222 10.222 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.950 11.250 -2.711 1.00 0.00 H new ATOM 22 N GLU A 2 1.779 13.119 -2.100 1.00 0.00 N ATOM 23 CA GLU A 2 0.485 12.670 -1.599 1.00 0.00 C ATOM 24 C GLU A 2 0.140 11.287 -2.142 1.00 0.00 C ATOM 25 O GLU A 2 -0.417 11.159 -3.233 1.00 0.00 O ATOM 26 CB GLU A 2 -0.608 13.668 -1.984 1.00 0.00 C ATOM 27 CG GLU A 2 -1.705 13.801 -0.940 1.00 0.00 C ATOM 28 CD GLU A 2 -1.968 15.242 -0.549 1.00 0.00 C ATOM 29 OE1 GLU A 2 -1.867 16.124 -1.427 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.274 15.489 0.637 1.00 0.00 O ATOM 0 H GLU A 2 1.874 13.081 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 2 0.546 12.609 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.154 14.645 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.053 13.360 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.624 13.360 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.427 13.233 -0.052 1.00 0.00 H new ATOM 37 N CYS A 3 0.478 10.255 -1.377 1.00 0.00 N ATOM 38 CA CYS A 3 0.209 8.884 -1.776 1.00 0.00 C ATOM 39 C CYS A 3 -1.246 8.514 -1.507 1.00 0.00 C ATOM 40 O CYS A 3 -2.072 9.376 -1.208 1.00 0.00 O ATOM 41 CB CYS A 3 1.135 7.930 -1.023 1.00 0.00 C ATOM 42 SG CYS A 3 2.835 8.549 -0.801 1.00 0.00 S ATOM 0 H CYS A 3 0.941 10.346 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 3 0.394 8.797 -2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.705 7.724 -0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.174 6.982 -1.559 1.00 0.00 H new ATOM 47 N HIS A 4 -1.552 7.224 -1.614 1.00 0.00 N ATOM 48 CA HIS A 4 -2.905 6.736 -1.382 1.00 0.00 C ATOM 49 C HIS A 4 -2.974 5.922 -0.093 1.00 0.00 C ATOM 50 O HIS A 4 -1.977 5.344 0.342 1.00 0.00 O ATOM 51 CB HIS A 4 -3.372 5.883 -2.562 1.00 0.00 C ATOM 52 CG HIS A 4 -3.646 6.677 -3.801 1.00 0.00 C ATOM 53 ND1 HIS A 4 -4.715 7.539 -3.922 1.00 0.00 N ATOM 54 CD2 HIS A 4 -2.981 6.738 -4.980 1.00 0.00 C ATOM 55 CE1 HIS A 4 -4.697 8.094 -5.121 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.655 7.625 -5.781 1.00 0.00 N ATOM 0 H HIS A 4 -0.879 6.498 -1.860 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.564 7.598 -1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.612 5.133 -2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.277 5.346 -2.277 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.411 7.720 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.087 6.191 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.413 8.810 -5.497 1.00 0.00 H new ATOM 65 N ASN A 5 -4.156 5.879 0.511 1.00 0.00 N ATOM 66 CA ASN A 5 -4.355 5.134 1.750 1.00 0.00 C ATOM 67 C ASN A 5 -5.693 4.400 1.734 1.00 0.00 C ATOM 68 O ASN A 5 -6.436 4.420 2.715 1.00 0.00 O ATOM 69 CB ASN A 5 -4.290 6.077 2.953 1.00 0.00 C ATOM 70 CG ASN A 5 -5.375 7.134 2.917 1.00 0.00 C ATOM 71 OD1 ASN A 5 -6.442 6.966 3.508 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.108 8.233 2.220 1.00 0.00 N ATOM 0 H ASN A 5 -4.991 6.351 0.164 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.557 4.396 1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.382 5.497 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.314 6.562 2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.801 8.979 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.210 8.331 1.746 1.00 0.00 H new ATOM 79 N GLN A 6 -5.991 3.753 0.612 1.00 0.00 N ATOM 80 CA GLN A 6 -7.240 3.014 0.466 1.00 0.00 C ATOM 81 C GLN A 6 -6.998 1.511 0.561 1.00 0.00 C ATOM 82 O GLN A 6 -6.542 0.883 -0.395 1.00 0.00 O ATOM 83 CB GLN A 6 -7.902 3.350 -0.870 1.00 0.00 C ATOM 84 CG GLN A 6 -6.940 3.330 -2.047 1.00 0.00 C ATOM 85 CD GLN A 6 -7.641 3.531 -3.377 1.00 0.00 C ATOM 86 OE1 GLN A 6 -8.385 2.665 -3.836 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.404 4.679 -4.001 1.00 0.00 N ATOM 0 H GLN A 6 -5.386 3.725 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.904 3.309 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.706 2.639 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.359 4.337 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.192 4.111 -1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.408 2.379 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.779 5.368 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.847 4.872 -4.899 1.00 0.00 H new ATOM 96 N GLN A 7 -7.307 0.938 1.721 1.00 0.00 N ATOM 97 CA GLN A 7 -7.125 -0.487 1.941 1.00 0.00 C ATOM 98 C GLN A 7 -8.274 -1.281 1.328 1.00 0.00 C ATOM 99 O GLN A 7 -9.443 -0.953 1.525 1.00 0.00 O ATOM 100 CB GLN A 7 -7.032 -0.777 3.440 1.00 0.00 C ATOM 101 CG GLN A 7 -8.093 -0.069 4.267 1.00 0.00 C ATOM 102 CD GLN A 7 -8.250 -0.669 5.650 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.088 0.017 6.660 1.00 0.00 O ATOM 104 NE2 GLN A 7 -8.566 -1.958 5.703 1.00 0.00 N ATOM 0 H GLN A 7 -7.685 1.443 2.522 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.198 -0.794 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.118 -1.852 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.046 -0.479 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.832 0.985 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.048 -0.117 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.691 -2.488 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.684 -2.417 6.606 1.00 0.00 H new ATOM 113 N SER A 8 -7.932 -2.327 0.581 1.00 0.00 N ATOM 114 CA SER A 8 -8.939 -3.165 -0.062 1.00 0.00 C ATOM 115 C SER A 8 -9.772 -2.347 -1.046 1.00 0.00 C ATOM 116 O SER A 8 -9.372 -1.257 -1.454 1.00 0.00 O ATOM 117 CB SER A 8 -9.844 -3.805 0.993 1.00 0.00 C ATOM 118 OG SER A 8 -9.084 -4.313 2.076 1.00 0.00 O ATOM 0 H SER A 8 -6.969 -2.614 0.406 1.00 0.00 H new ATOM 0 HA SER A 8 -8.429 -3.954 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.558 -3.068 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.422 -4.611 0.541 1.00 0.00 H new ATOM 0 HG SER A 8 -9.685 -4.715 2.737 1.00 0.00 H new ATOM 124 N SER A 9 -10.932 -2.878 -1.425 1.00 0.00 N ATOM 125 CA SER A 9 -11.816 -2.190 -2.361 1.00 0.00 C ATOM 126 C SER A 9 -12.860 -1.355 -1.623 1.00 0.00 C ATOM 127 O SER A 9 -13.912 -1.035 -2.175 1.00 0.00 O ATOM 128 CB SER A 9 -12.510 -3.203 -3.274 1.00 0.00 C ATOM 129 OG SER A 9 -12.990 -2.580 -4.453 1.00 0.00 O ATOM 0 H SER A 9 -11.281 -3.780 -1.099 1.00 0.00 H new ATOM 0 HA SER A 9 -11.207 -1.518 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.812 -3.998 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.339 -3.669 -2.742 1.00 0.00 H new ATOM 0 HG SER A 9 -13.513 -1.787 -4.214 1.00 0.00 H new ATOM 135 N GLN A 10 -12.563 -1.001 -0.376 1.00 0.00 N ATOM 136 CA GLN A 10 -13.479 -0.202 0.431 1.00 0.00 C ATOM 137 C GLN A 10 -13.519 1.241 -0.061 1.00 0.00 C ATOM 138 O GLN A 10 -12.894 1.583 -1.064 1.00 0.00 O ATOM 139 CB GLN A 10 -13.058 -0.242 1.899 1.00 0.00 C ATOM 140 CG GLN A 10 -13.695 -1.378 2.676 1.00 0.00 C ATOM 141 CD GLN A 10 -14.789 -0.906 3.616 1.00 0.00 C ATOM 142 OE1 GLN A 10 -15.064 0.289 3.716 1.00 0.00 O ATOM 143 NE2 GLN A 10 -15.417 -1.846 4.311 1.00 0.00 N ATOM 0 H GLN A 10 -11.696 -1.255 0.097 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.478 -0.626 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.974 -0.335 1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.322 0.704 2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.111 -2.102 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.926 -1.895 3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.156 -2.825 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.161 -1.589 4.960 1.00 0.00 H new ATOM 152 N ALA A 11 -14.258 2.084 0.655 1.00 0.00 N ATOM 153 CA ALA A 11 -14.380 3.491 0.292 1.00 0.00 C ATOM 154 C ALA A 11 -13.011 4.168 0.245 1.00 0.00 C ATOM 155 O ALA A 11 -12.376 4.372 1.281 1.00 0.00 O ATOM 156 CB ALA A 11 -15.289 4.210 1.278 1.00 0.00 C ATOM 0 H ALA A 11 -14.781 1.817 1.489 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.819 3.548 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.373 5.260 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.277 3.751 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.869 4.135 2.281 1.00 0.00 H new ATOM 162 N PRO A 12 -12.531 4.528 -0.961 1.00 0.00 N ATOM 163 CA PRO A 12 -11.230 5.182 -1.135 1.00 0.00 C ATOM 164 C PRO A 12 -10.981 6.289 -0.114 1.00 0.00 C ATOM 165 O PRO A 12 -11.907 6.755 0.550 1.00 0.00 O ATOM 166 CB PRO A 12 -11.336 5.760 -2.541 1.00 0.00 C ATOM 167 CG PRO A 12 -12.177 4.769 -3.257 1.00 0.00 C ATOM 168 CD PRO A 12 -13.212 4.326 -2.256 1.00 0.00 C ATOM 0 HA PRO A 12 -10.398 4.492 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.796 6.748 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.356 5.867 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.645 5.213 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.580 3.926 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.124 4.919 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.497 3.284 -2.404 1.00 0.00 H new ATOM 176 N THR A 13 -9.725 6.705 0.004 1.00 0.00 N ATOM 177 CA THR A 13 -9.354 7.757 0.944 1.00 0.00 C ATOM 178 C THR A 13 -8.018 8.383 0.559 1.00 0.00 C ATOM 179 O THR A 13 -7.010 7.689 0.430 1.00 0.00 O ATOM 180 CB THR A 13 -9.277 7.196 2.365 1.00 0.00 C ATOM 181 OG1 THR A 13 -10.495 6.569 2.723 1.00 0.00 O ATOM 182 CG2 THR A 13 -8.977 8.249 3.409 1.00 0.00 C ATOM 0 H THR A 13 -8.947 6.330 -0.539 1.00 0.00 H new ATOM 0 HA THR A 13 -10.121 8.530 0.907 1.00 0.00 H new ATOM 0 HB THR A 13 -8.455 6.480 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.216 6.904 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.936 7.784 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.017 8.717 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.761 9.006 3.398 1.00 0.00 H new ATOM 190 N THR A 14 -8.017 9.699 0.376 1.00 0.00 N ATOM 191 CA THR A 14 -6.804 10.419 0.005 1.00 0.00 C ATOM 192 C THR A 14 -6.241 11.187 1.195 1.00 0.00 C ATOM 193 O THR A 14 -6.959 11.930 1.865 1.00 0.00 O ATOM 194 CB THR A 14 -7.090 11.380 -1.149 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.869 12.477 -0.706 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.824 10.731 -2.302 1.00 0.00 C ATOM 0 H THR A 14 -8.843 10.289 0.479 1.00 0.00 H new ATOM 0 HA THR A 14 -6.061 9.688 -0.316 1.00 0.00 H new ATOM 0 HB THR A 14 -6.112 11.707 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.846 12.520 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.995 11.469 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.225 9.911 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.782 10.345 -1.953 1.00 0.00 H new ATOM 204 N LYS A 15 -4.949 11.005 1.452 1.00 0.00 N ATOM 205 CA LYS A 15 -4.288 11.682 2.561 1.00 0.00 C ATOM 206 C LYS A 15 -2.782 11.766 2.327 1.00 0.00 C ATOM 207 O LYS A 15 -2.268 11.239 1.342 1.00 0.00 O ATOM 208 CB LYS A 15 -4.572 10.950 3.875 1.00 0.00 C ATOM 209 CG LYS A 15 -4.789 11.883 5.056 1.00 0.00 C ATOM 210 CD LYS A 15 -3.917 11.499 6.242 1.00 0.00 C ATOM 211 CE LYS A 15 -4.450 10.261 6.947 1.00 0.00 C ATOM 212 NZ LYS A 15 -5.277 10.612 8.135 1.00 0.00 N ATOM 0 H LYS A 15 -4.340 10.395 0.907 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.685 12.695 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.456 10.325 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.739 10.283 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.566 12.907 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.838 11.858 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.898 11.315 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.872 12.330 6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.048 9.675 6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.615 9.633 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.621 9.741 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.700 11.150 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.088 11.190 7.835 1.00 0.00 H new ATOM 226 N THR A 16 -2.083 12.434 3.239 1.00 0.00 N ATOM 227 CA THR A 16 -0.637 12.587 3.130 1.00 0.00 C ATOM 228 C THR A 16 0.038 12.358 4.479 1.00 0.00 C ATOM 229 O THR A 16 -0.604 12.430 5.527 1.00 0.00 O ATOM 230 CB THR A 16 -0.289 13.980 2.604 1.00 0.00 C ATOM 231 OG1 THR A 16 1.115 14.150 2.522 1.00 0.00 O ATOM 232 CG2 THR A 16 -0.837 15.100 3.462 1.00 0.00 C ATOM 0 H THR A 16 -2.494 12.877 4.061 1.00 0.00 H new ATOM 0 HA THR A 16 -0.270 11.838 2.428 1.00 0.00 H new ATOM 0 HB THR A 16 -0.752 14.039 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.421 13.918 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.553 16.060 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.924 15.028 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.429 15.019 4.470 1.00 0.00 H new ATOM 240 N CYS A 17 1.338 12.080 4.445 1.00 0.00 N ATOM 241 CA CYS A 17 2.101 11.840 5.664 1.00 0.00 C ATOM 242 C CYS A 17 2.931 13.064 6.038 1.00 0.00 C ATOM 243 O CYS A 17 3.187 13.931 5.202 1.00 0.00 O ATOM 244 CB CYS A 17 3.014 10.626 5.489 1.00 0.00 C ATOM 245 SG CYS A 17 2.164 9.140 4.864 1.00 0.00 S ATOM 0 H CYS A 17 1.884 12.016 3.586 1.00 0.00 H new ATOM 0 HA CYS A 17 1.395 11.642 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.819 10.887 4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.476 10.391 6.448 1.00 0.00 H new ATOM 250 N SER A 18 3.348 13.126 7.297 1.00 0.00 N ATOM 251 CA SER A 18 4.151 14.243 7.783 1.00 0.00 C ATOM 252 C SER A 18 5.536 13.771 8.214 1.00 0.00 C ATOM 253 O SER A 18 5.698 13.182 9.282 1.00 0.00 O ATOM 254 CB SER A 18 3.447 14.932 8.955 1.00 0.00 C ATOM 255 OG SER A 18 2.509 14.063 9.568 1.00 0.00 O ATOM 0 H SER A 18 3.144 12.416 8.000 1.00 0.00 H new ATOM 0 HA SER A 18 4.268 14.956 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.186 15.252 9.690 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.939 15.830 8.602 1.00 0.00 H new ATOM 0 HG SER A 18 2.074 14.525 10.315 1.00 0.00 H new ATOM 261 N GLY A 19 6.533 14.033 7.374 1.00 0.00 N ATOM 262 CA GLY A 19 7.891 13.628 7.685 1.00 0.00 C ATOM 263 C GLY A 19 8.395 12.539 6.759 1.00 0.00 C ATOM 264 O GLY A 19 9.578 12.503 6.418 1.00 0.00 O ATOM 0 H GLY A 19 6.424 14.519 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.550 14.493 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.935 13.275 8.715 1.00 0.00 H new ATOM 268 N GLU A 20 7.498 11.647 6.353 1.00 0.00 N ATOM 269 CA GLU A 20 7.856 10.551 5.463 1.00 0.00 C ATOM 270 C GLU A 20 8.169 11.069 4.063 1.00 0.00 C ATOM 271 O GLU A 20 7.600 12.067 3.618 1.00 0.00 O ATOM 272 CB GLU A 20 6.723 9.528 5.402 1.00 0.00 C ATOM 273 CG GLU A 20 6.756 8.521 6.540 1.00 0.00 C ATOM 274 CD GLU A 20 5.519 8.587 7.415 1.00 0.00 C ATOM 275 OE1 GLU A 20 5.168 9.699 7.864 1.00 0.00 O ATOM 276 OE2 GLU A 20 4.901 7.528 7.652 1.00 0.00 O ATOM 0 H GLU A 20 6.516 11.663 6.627 1.00 0.00 H new ATOM 0 HA GLU A 20 8.749 10.068 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.768 10.053 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.776 8.994 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.852 7.516 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.640 8.700 7.153 1.00 0.00 H new ATOM 283 N THR A 21 9.080 10.390 3.373 1.00 0.00 N ATOM 284 CA THR A 21 9.470 10.790 2.025 1.00 0.00 C ATOM 285 C THR A 21 9.143 9.702 1.005 1.00 0.00 C ATOM 286 O THR A 21 8.881 9.995 -0.162 1.00 0.00 O ATOM 287 CB THR A 21 10.965 11.111 1.982 1.00 0.00 C ATOM 288 OG1 THR A 21 11.365 11.794 3.156 1.00 0.00 O ATOM 289 CG2 THR A 21 11.359 11.965 0.797 1.00 0.00 C ATOM 0 H THR A 21 9.561 9.562 3.724 1.00 0.00 H new ATOM 0 HA THR A 21 8.901 11.682 1.764 1.00 0.00 H new ATOM 0 HB THR A 21 11.466 10.146 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.324 11.989 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.432 12.156 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.109 11.443 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.821 12.912 0.836 1.00 0.00 H new ATOM 297 N ASN A 22 9.166 8.446 1.444 1.00 0.00 N ATOM 298 CA ASN A 22 8.876 7.323 0.556 1.00 0.00 C ATOM 299 C ASN A 22 7.591 6.609 0.964 1.00 0.00 C ATOM 300 O ASN A 22 7.248 6.547 2.144 1.00 0.00 O ATOM 301 CB ASN A 22 10.036 6.321 0.540 1.00 0.00 C ATOM 302 CG ASN A 22 10.992 6.508 1.700 1.00 0.00 C ATOM 303 OD1 ASN A 22 10.576 6.770 2.828 1.00 0.00 O ATOM 304 ND2 ASN A 22 12.280 6.371 1.425 1.00 0.00 N ATOM 0 H ASN A 22 9.381 8.181 2.405 1.00 0.00 H new ATOM 0 HA ASN A 22 8.745 7.732 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.635 5.308 0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.585 6.423 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.974 6.483 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.578 6.153 0.474 1.00 0.00 H new ATOM 311 N CYS A 23 6.893 6.058 -0.025 1.00 0.00 N ATOM 312 CA CYS A 23 5.658 5.332 0.214 1.00 0.00 C ATOM 313 C CYS A 23 5.794 3.908 -0.306 1.00 0.00 C ATOM 314 O CYS A 23 6.854 3.520 -0.796 1.00 0.00 O ATOM 315 CB CYS A 23 4.492 6.027 -0.481 1.00 0.00 C ATOM 316 SG CYS A 23 3.642 7.266 0.549 1.00 0.00 S ATOM 0 H CYS A 23 7.168 6.104 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 23 5.463 5.310 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.859 6.513 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.769 5.274 -0.795 1.00 0.00 H new ATOM 321 N TYR A 24 4.726 3.132 -0.206 1.00 0.00 N ATOM 322 CA TYR A 24 4.757 1.758 -0.683 1.00 0.00 C ATOM 323 C TYR A 24 3.358 1.203 -0.910 1.00 0.00 C ATOM 324 O TYR A 24 2.355 1.871 -0.659 1.00 0.00 O ATOM 325 CB TYR A 24 5.517 0.861 0.295 1.00 0.00 C ATOM 326 CG TYR A 24 4.894 0.784 1.671 1.00 0.00 C ATOM 327 CD1 TYR A 24 3.937 -0.180 1.969 1.00 0.00 C ATOM 328 CD2 TYR A 24 5.266 1.669 2.675 1.00 0.00 C ATOM 329 CE1 TYR A 24 3.371 -0.258 3.227 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.704 1.596 3.936 1.00 0.00 C ATOM 331 CZ TYR A 24 3.758 0.631 4.205 1.00 0.00 C ATOM 332 OH TYR A 24 3.196 0.556 5.460 1.00 0.00 O ATOM 0 H TYR A 24 3.836 3.426 0.197 1.00 0.00 H new ATOM 0 HA TYR A 24 5.276 1.766 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.577 -0.144 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.539 1.229 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.631 -0.879 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.007 2.427 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.629 -1.012 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.005 2.291 4.706 1.00 0.00 H new ATOM 0 HH TYR A 24 3.579 1.254 6.032 1.00 0.00 H new ATOM 342 N LYS A 25 3.314 -0.036 -1.376 1.00 0.00 N ATOM 343 CA LYS A 25 2.060 -0.728 -1.638 1.00 0.00 C ATOM 344 C LYS A 25 2.271 -2.229 -1.541 1.00 0.00 C ATOM 345 O LYS A 25 3.170 -2.778 -2.180 1.00 0.00 O ATOM 346 CB LYS A 25 1.519 -0.371 -3.023 1.00 0.00 C ATOM 347 CG LYS A 25 0.017 -0.553 -3.151 1.00 0.00 C ATOM 348 CD LYS A 25 -0.419 -0.578 -4.608 1.00 0.00 C ATOM 349 CE LYS A 25 -1.631 -1.473 -4.814 1.00 0.00 C ATOM 350 NZ LYS A 25 -2.872 -0.685 -5.059 1.00 0.00 N ATOM 0 H LYS A 25 4.145 -0.590 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 25 1.331 -0.413 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.772 0.665 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.017 -0.990 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.281 -1.482 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.494 0.257 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.654 0.435 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.404 -0.931 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.451 -2.138 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.769 -2.104 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.511 -0.782 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.627 0.317 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.345 -1.040 -5.914 1.00 0.00 H new ATOM 364 N LYS A 26 1.453 -2.892 -0.739 1.00 0.00 N ATOM 365 CA LYS A 26 1.575 -4.331 -0.570 1.00 0.00 C ATOM 366 C LYS A 26 0.297 -5.047 -0.945 1.00 0.00 C ATOM 367 O LYS A 26 -0.781 -4.462 -0.960 1.00 0.00 O ATOM 368 CB LYS A 26 1.941 -4.686 0.867 1.00 0.00 C ATOM 369 CG LYS A 26 1.117 -3.961 1.919 1.00 0.00 C ATOM 370 CD LYS A 26 1.996 -3.381 3.015 1.00 0.00 C ATOM 371 CE LYS A 26 2.643 -4.475 3.850 1.00 0.00 C ATOM 372 NZ LYS A 26 1.674 -5.549 4.207 1.00 0.00 N ATOM 0 H LYS A 26 0.703 -2.461 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 26 2.371 -4.658 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.821 -5.761 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.995 -4.459 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.546 -3.161 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.396 -4.651 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.770 -2.757 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.398 -2.736 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.477 -4.908 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.055 -4.041 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.069 -6.133 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.782 -5.120 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.494 -6.145 3.374 1.00 0.00 H new ATOM 386 N TRP A 27 0.434 -6.328 -1.231 1.00 0.00 N ATOM 387 CA TRP A 27 -0.706 -7.152 -1.584 1.00 0.00 C ATOM 388 C TRP A 27 -0.395 -8.620 -1.402 1.00 0.00 C ATOM 389 O TRP A 27 0.761 -9.040 -1.455 1.00 0.00 O ATOM 390 CB TRP A 27 -1.156 -6.908 -3.018 1.00 0.00 C ATOM 391 CG TRP A 27 -0.061 -6.965 -4.018 1.00 0.00 C ATOM 392 CD1 TRP A 27 0.232 -8.027 -4.791 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.867 -5.928 -4.373 1.00 0.00 C ATOM 394 NE1 TRP A 27 1.291 -7.741 -5.605 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.703 -6.458 -5.370 1.00 0.00 C ATOM 396 CE3 TRP A 27 1.080 -4.610 -3.948 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.734 -5.724 -5.952 1.00 0.00 C ATOM 398 CZ3 TRP A 27 2.103 -3.882 -4.527 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.919 -4.440 -5.518 1.00 0.00 C ATOM 0 H TRP A 27 1.327 -6.822 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.516 -6.870 -0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -1.911 -7.649 -3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.634 -5.930 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.294 -8.970 -4.771 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.708 -8.382 -6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.457 -4.171 -3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.364 -6.153 -6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.276 -2.864 -4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.711 -3.845 -5.949 1.00 0.00 H new ATOM 410 N TRP A 28 -1.441 -9.394 -1.188 1.00 0.00 N ATOM 411 CA TRP A 28 -1.299 -10.827 -0.993 1.00 0.00 C ATOM 412 C TRP A 28 -2.549 -11.560 -1.466 1.00 0.00 C ATOM 413 O TRP A 28 -3.471 -10.947 -2.008 1.00 0.00 O ATOM 414 CB TRP A 28 -1.042 -11.119 0.480 1.00 0.00 C ATOM 415 CG TRP A 28 -2.087 -10.545 1.360 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.169 -11.194 1.848 1.00 0.00 C ATOM 417 CD2 TRP A 28 -2.158 -9.202 1.854 1.00 0.00 C ATOM 418 NE1 TRP A 28 -3.914 -10.345 2.612 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.317 -9.117 2.639 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.355 -8.065 1.711 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.700 -7.944 3.282 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.735 -6.899 2.351 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.898 -6.848 3.130 1.00 0.00 C ATOM 0 H TRP A 28 -2.402 -9.055 -1.144 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.453 -11.181 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.996 -12.197 0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.070 -10.715 0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.407 -12.231 1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.782 -10.589 3.089 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.456 -8.097 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.599 -7.901 3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.125 -6.014 2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.166 -5.924 3.620 1.00 0.00 H new ATOM 434 N SER A 29 -2.575 -12.872 -1.262 1.00 0.00 N ATOM 435 CA SER A 29 -3.714 -13.684 -1.675 1.00 0.00 C ATOM 436 C SER A 29 -4.170 -14.612 -0.553 1.00 0.00 C ATOM 437 O SER A 29 -3.408 -15.456 -0.082 1.00 0.00 O ATOM 438 CB SER A 29 -3.359 -14.503 -2.917 1.00 0.00 C ATOM 439 OG SER A 29 -4.426 -14.502 -3.850 1.00 0.00 O ATOM 0 H SER A 29 -1.823 -13.395 -0.814 1.00 0.00 H new ATOM 0 HA SER A 29 -4.536 -13.009 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.463 -14.093 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.126 -15.528 -2.627 1.00 0.00 H new ATOM 0 HG SER A 29 -4.174 -15.031 -4.636 1.00 0.00 H new ATOM 445 N ASP A 30 -5.424 -14.455 -0.140 1.00 0.00 N ATOM 446 CA ASP A 30 -5.995 -15.282 0.917 1.00 0.00 C ATOM 447 C ASP A 30 -7.515 -15.264 0.855 1.00 0.00 C ATOM 448 O ASP A 30 -8.110 -14.372 0.252 1.00 0.00 O ATOM 449 CB ASP A 30 -5.531 -14.809 2.296 1.00 0.00 C ATOM 450 CG ASP A 30 -5.474 -13.297 2.408 1.00 0.00 C ATOM 451 OD1 ASP A 30 -6.086 -12.616 1.559 1.00 0.00 O ATOM 452 OD2 ASP A 30 -4.818 -12.795 3.344 1.00 0.00 O ATOM 0 H ASP A 30 -6.065 -13.760 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.645 -16.302 0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.207 -15.200 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.544 -15.222 2.504 1.00 0.00 H new ATOM 457 N HIS A 31 -8.133 -16.257 1.485 1.00 0.00 N ATOM 458 CA HIS A 31 -9.592 -16.374 1.512 1.00 0.00 C ATOM 459 C HIS A 31 -10.203 -16.025 0.155 1.00 0.00 C ATOM 460 O HIS A 31 -10.754 -14.939 -0.024 1.00 0.00 O ATOM 461 CB HIS A 31 -10.180 -15.468 2.597 1.00 0.00 C ATOM 462 CG HIS A 31 -9.639 -14.071 2.577 1.00 0.00 C ATOM 463 ND1 HIS A 31 -10.061 -13.114 1.679 1.00 0.00 N ATOM 464 CD2 HIS A 31 -8.709 -13.470 3.356 1.00 0.00 C ATOM 465 CE1 HIS A 31 -9.413 -11.985 1.906 1.00 0.00 C ATOM 466 NE2 HIS A 31 -8.588 -12.174 2.919 1.00 0.00 N ATOM 0 H HIS A 31 -7.645 -16.998 1.988 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.837 -17.411 1.740 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.263 -15.430 2.478 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.982 -15.910 3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.763 -13.255 0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.164 -13.925 4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.537 -11.064 1.356 1.00 0.00 H new ATOM 475 N ARG A 32 -10.109 -16.965 -0.788 1.00 0.00 N ATOM 476 CA ARG A 32 -10.646 -16.802 -2.133 1.00 0.00 C ATOM 477 C ARG A 32 -10.727 -15.333 -2.553 1.00 0.00 C ATOM 478 O ARG A 32 -11.782 -14.854 -2.971 1.00 0.00 O ATOM 479 CB ARG A 32 -12.022 -17.453 -2.214 1.00 0.00 C ATOM 480 CG ARG A 32 -12.222 -18.611 -1.243 1.00 0.00 C ATOM 481 CD ARG A 32 -13.683 -19.028 -1.163 1.00 0.00 C ATOM 482 NE ARG A 32 -14.289 -18.651 0.113 1.00 0.00 N ATOM 483 CZ ARG A 32 -14.927 -17.501 0.326 1.00 0.00 C ATOM 484 NH1 ARG A 32 -15.051 -16.607 -0.648 1.00 0.00 N ATOM 485 NH2 ARG A 32 -15.445 -17.244 1.519 1.00 0.00 N ATOM 0 H ARG A 32 -9.654 -17.865 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.962 -17.292 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.782 -16.696 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.182 -17.813 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.617 -19.461 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.871 -18.321 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.238 -18.565 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.760 -20.107 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.219 -19.310 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.656 -16.798 -1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.541 -15.729 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.355 -17.926 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.934 -16.364 1.684 1.00 0.00 H new ATOM 499 N GLY A 33 -9.607 -14.625 -2.440 1.00 0.00 N ATOM 500 CA GLY A 33 -9.576 -13.223 -2.811 1.00 0.00 C ATOM 501 C GLY A 33 -8.196 -12.610 -2.666 1.00 0.00 C ATOM 502 O GLY A 33 -7.261 -13.269 -2.211 1.00 0.00 O ATOM 0 H GLY A 33 -8.721 -14.998 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.910 -13.117 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.281 -12.671 -2.190 1.00 0.00 H new ATOM 506 N THR A 34 -8.070 -11.344 -3.055 1.00 0.00 N ATOM 507 CA THR A 34 -6.796 -10.637 -2.968 1.00 0.00 C ATOM 508 C THR A 34 -6.955 -9.333 -2.193 1.00 0.00 C ATOM 509 O THR A 34 -8.044 -8.762 -2.138 1.00 0.00 O ATOM 510 CB THR A 34 -6.255 -10.347 -4.369 1.00 0.00 C ATOM 511 OG1 THR A 34 -6.601 -11.387 -5.264 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.751 -10.187 -4.409 1.00 0.00 C ATOM 0 H THR A 34 -8.836 -10.786 -3.434 1.00 0.00 H new ATOM 0 HA THR A 34 -6.088 -11.273 -2.437 1.00 0.00 H new ATOM 0 HB THR A 34 -6.712 -9.403 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.248 -11.183 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.434 -9.983 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.456 -9.358 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.278 -11.104 -4.058 1.00 0.00 H new ATOM 520 N ILE A 35 -5.864 -8.865 -1.594 1.00 0.00 N ATOM 521 CA ILE A 35 -5.893 -7.626 -0.823 1.00 0.00 C ATOM 522 C ILE A 35 -4.685 -6.748 -1.137 1.00 0.00 C ATOM 523 O ILE A 35 -3.600 -7.251 -1.421 1.00 0.00 O ATOM 524 CB ILE A 35 -5.931 -7.909 0.691 1.00 0.00 C ATOM 525 CG1 ILE A 35 -7.023 -8.930 1.012 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.158 -6.619 1.465 1.00 0.00 C ATOM 527 CD1 ILE A 35 -7.076 -9.318 2.474 1.00 0.00 C ATOM 0 H ILE A 35 -4.953 -9.322 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.802 -7.098 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.970 -8.326 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.990 -8.521 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.860 -9.825 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.182 -6.835 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.348 -5.921 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.107 -6.175 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.873 -10.045 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.123 -9.757 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.270 -8.432 3.079 1.00 0.00 H new ATOM 539 N ILE A 36 -4.887 -5.434 -1.084 1.00 0.00 N ATOM 540 CA ILE A 36 -3.820 -4.478 -1.364 1.00 0.00 C ATOM 541 C ILE A 36 -3.900 -3.278 -0.416 1.00 0.00 C ATOM 542 O ILE A 36 -4.961 -2.670 -0.272 1.00 0.00 O ATOM 543 CB ILE A 36 -3.896 -3.971 -2.822 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.204 -3.207 -3.057 1.00 0.00 C ATOM 545 CG2 ILE A 36 -3.775 -5.133 -3.799 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.398 -2.759 -4.490 1.00 0.00 C ATOM 0 H ILE A 36 -5.783 -5.006 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.874 -4.997 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.063 -3.289 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.042 -3.841 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.226 -2.333 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.831 -4.757 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.820 -5.636 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.588 -5.839 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.344 -2.226 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.580 -2.098 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.409 -3.630 -5.145 1.00 0.00 H new ATOM 558 N GLU A 37 -2.787 -2.936 0.236 1.00 0.00 N ATOM 559 CA GLU A 37 -2.773 -1.807 1.162 1.00 0.00 C ATOM 560 C GLU A 37 -1.645 -0.832 0.837 1.00 0.00 C ATOM 561 O GLU A 37 -0.720 -1.159 0.091 1.00 0.00 O ATOM 562 CB GLU A 37 -2.649 -2.296 2.607 1.00 0.00 C ATOM 563 CG GLU A 37 -2.114 -3.711 2.732 1.00 0.00 C ATOM 564 CD GLU A 37 -1.607 -4.023 4.127 1.00 0.00 C ATOM 565 OE1 GLU A 37 -2.441 -4.321 5.007 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.378 -3.970 4.337 1.00 0.00 O ATOM 0 H GLU A 37 -1.894 -3.420 0.140 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.719 -1.278 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.992 -1.620 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.628 -2.244 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.901 -4.417 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.305 -3.854 2.015 1.00 0.00 H new ATOM 573 N ARG A 38 -1.735 0.370 1.401 1.00 0.00 N ATOM 574 CA ARG A 38 -0.731 1.404 1.174 1.00 0.00 C ATOM 575 C ARG A 38 0.012 1.729 2.467 1.00 0.00 C ATOM 576 O ARG A 38 -0.127 1.025 3.468 1.00 0.00 O ATOM 577 CB ARG A 38 -1.382 2.681 0.624 1.00 0.00 C ATOM 578 CG ARG A 38 -2.625 2.440 -0.222 1.00 0.00 C ATOM 579 CD ARG A 38 -2.306 2.473 -1.707 1.00 0.00 C ATOM 580 NE ARG A 38 -3.465 2.119 -2.522 1.00 0.00 N ATOM 581 CZ ARG A 38 -3.972 0.890 -2.594 1.00 0.00 C ATOM 582 NH1 ARG A 38 -3.419 -0.103 -1.907 1.00 0.00 N ATOM 583 NH2 ARG A 38 -5.032 0.654 -3.353 1.00 0.00 N ATOM 0 H ARG A 38 -2.495 0.652 2.020 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.020 1.022 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.646 3.328 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.648 3.219 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.060 1.474 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.374 3.198 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.960 3.469 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.489 1.783 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.912 2.856 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.603 0.074 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.810 -1.043 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.460 1.414 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.420 -0.288 -3.408 1.00 0.00 H new ATOM 597 N GLY A 39 0.800 2.800 2.441 1.00 0.00 N ATOM 598 CA GLY A 39 1.547 3.200 3.619 1.00 0.00 C ATOM 599 C GLY A 39 2.608 4.237 3.307 1.00 0.00 C ATOM 600 O GLY A 39 2.681 4.744 2.188 1.00 0.00 O ATOM 0 H GLY A 39 0.934 3.397 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.859 3.601 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.019 2.323 4.061 1.00 0.00 H new ATOM 604 N CYS A 40 3.430 4.557 4.302 1.00 0.00 N ATOM 605 CA CYS A 40 4.491 5.542 4.131 1.00 0.00 C ATOM 606 C CYS A 40 5.827 5.001 4.633 1.00 0.00 C ATOM 607 O CYS A 40 6.143 5.104 5.818 1.00 0.00 O ATOM 608 CB CYS A 40 4.136 6.834 4.870 1.00 0.00 C ATOM 609 SG CYS A 40 3.590 8.187 3.779 1.00 0.00 S ATOM 0 H CYS A 40 3.381 4.148 5.235 1.00 0.00 H new ATOM 0 HA CYS A 40 4.588 5.755 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.347 6.622 5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.006 7.167 5.437 1.00 0.00 H new ATOM 614 N GLY A 41 6.605 4.424 3.723 1.00 0.00 N ATOM 615 CA GLY A 41 7.897 3.874 4.090 1.00 0.00 C ATOM 616 C GLY A 41 8.395 2.854 3.084 1.00 0.00 C ATOM 617 O GLY A 41 8.070 2.931 1.900 1.00 0.00 O ATOM 0 H GLY A 41 6.363 4.327 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.623 4.683 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.825 3.407 5.072 1.00 0.00 H new ATOM 621 N CYS A 42 9.185 1.896 3.555 1.00 0.00 N ATOM 622 CA CYS A 42 9.724 0.857 2.687 1.00 0.00 C ATOM 623 C CYS A 42 10.173 -0.358 3.499 1.00 0.00 C ATOM 624 O CYS A 42 11.348 -0.724 3.489 1.00 0.00 O ATOM 625 CB CYS A 42 10.893 1.404 1.863 1.00 0.00 C ATOM 626 SG CYS A 42 11.524 0.239 0.612 1.00 0.00 S ATOM 0 H CYS A 42 9.466 1.818 4.532 1.00 0.00 H new ATOM 0 HA CYS A 42 8.932 0.540 2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.576 2.320 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.706 1.673 2.538 1.00 0.00 H new ATOM 631 N PRO A 43 9.236 -0.999 4.219 1.00 0.00 N ATOM 632 CA PRO A 43 9.535 -2.173 5.042 1.00 0.00 C ATOM 633 C PRO A 43 9.624 -3.456 4.220 1.00 0.00 C ATOM 634 O PRO A 43 9.669 -3.415 2.990 1.00 0.00 O ATOM 635 CB PRO A 43 8.343 -2.231 5.994 1.00 0.00 C ATOM 636 CG PRO A 43 7.211 -1.665 5.207 1.00 0.00 C ATOM 637 CD PRO A 43 7.809 -0.626 4.292 1.00 0.00 C ATOM 0 HA PRO A 43 10.502 -2.093 5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.136 -3.254 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.528 -1.650 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.708 -2.444 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.464 -1.220 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.341 -0.643 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.679 0.380 4.690 1.00 0.00 H new ATOM 645 N LYS A 44 9.650 -4.593 4.908 1.00 0.00 N ATOM 646 CA LYS A 44 9.733 -5.891 4.243 1.00 0.00 C ATOM 647 C LYS A 44 8.387 -6.610 4.286 1.00 0.00 C ATOM 648 O LYS A 44 7.380 -6.038 4.702 1.00 0.00 O ATOM 649 CB LYS A 44 10.812 -6.754 4.900 1.00 0.00 C ATOM 650 CG LYS A 44 12.111 -6.809 4.112 1.00 0.00 C ATOM 651 CD LYS A 44 12.887 -5.506 4.225 1.00 0.00 C ATOM 652 CE LYS A 44 14.385 -5.755 4.299 1.00 0.00 C ATOM 653 NZ LYS A 44 14.793 -6.297 5.625 1.00 0.00 N ATOM 0 H LYS A 44 9.615 -4.643 5.926 1.00 0.00 H new ATOM 0 HA LYS A 44 10.000 -5.724 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.018 -6.366 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.429 -7.767 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.725 -7.632 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.894 -7.014 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.664 -4.873 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.563 -4.964 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.676 -6.455 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.918 -4.823 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.829 -6.263 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.364 -5.725 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.471 -7.282 5.711 1.00 0.00 H new ATOM 667 N VAL A 45 8.377 -7.867 3.852 1.00 0.00 N ATOM 668 CA VAL A 45 7.152 -8.661 3.842 1.00 0.00 C ATOM 669 C VAL A 45 7.442 -10.134 4.112 1.00 0.00 C ATOM 670 O VAL A 45 8.574 -10.593 3.963 1.00 0.00 O ATOM 671 CB VAL A 45 6.410 -8.537 2.496 1.00 0.00 C ATOM 672 CG1 VAL A 45 5.657 -7.218 2.420 1.00 0.00 C ATOM 673 CG2 VAL A 45 7.383 -8.672 1.333 1.00 0.00 C ATOM 0 H VAL A 45 9.201 -8.357 3.503 1.00 0.00 H new ATOM 0 HA VAL A 45 6.519 -8.267 4.637 1.00 0.00 H new ATOM 0 HB VAL A 45 5.684 -9.347 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.140 -7.149 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.930 -7.167 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.361 -6.391 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.840 -8.582 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.135 -7.886 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.871 -9.645 1.378 1.00 0.00 H new ATOM 683 N LYS A 46 6.409 -10.866 4.517 1.00 0.00 N ATOM 684 CA LYS A 46 6.540 -12.280 4.817 1.00 0.00 C ATOM 685 C LYS A 46 6.536 -13.115 3.538 1.00 0.00 C ATOM 686 O LYS A 46 6.142 -12.635 2.476 1.00 0.00 O ATOM 687 CB LYS A 46 5.404 -12.727 5.739 1.00 0.00 C ATOM 688 CG LYS A 46 5.648 -12.410 7.206 1.00 0.00 C ATOM 689 CD LYS A 46 6.753 -13.278 7.790 1.00 0.00 C ATOM 690 CE LYS A 46 6.195 -14.332 8.733 1.00 0.00 C ATOM 691 NZ LYS A 46 6.961 -15.606 8.657 1.00 0.00 N ATOM 0 H LYS A 46 5.467 -10.496 4.644 1.00 0.00 H new ATOM 0 HA LYS A 46 7.494 -12.435 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.479 -12.246 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.259 -13.802 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.916 -11.359 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.728 -12.563 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.300 -13.764 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.466 -12.650 8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.219 -13.954 9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.150 -14.522 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.549 -16.298 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.917 -15.980 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.953 -15.431 8.915 1.00 0.00 H new ATOM 705 N PRO A 47 6.974 -14.385 3.622 1.00 0.00 N ATOM 706 CA PRO A 47 7.012 -15.269 2.466 1.00 0.00 C ATOM 707 C PRO A 47 5.617 -15.560 1.921 1.00 0.00 C ATOM 708 O PRO A 47 4.982 -16.544 2.300 1.00 0.00 O ATOM 709 CB PRO A 47 7.664 -16.558 2.976 1.00 0.00 C ATOM 710 CG PRO A 47 7.942 -16.386 4.423 1.00 0.00 C ATOM 711 CD PRO A 47 7.459 -15.033 4.847 1.00 0.00 C ATOM 0 HA PRO A 47 7.563 -14.814 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.004 -17.410 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.586 -16.760 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.441 -17.164 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.010 -16.484 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.664 -15.115 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.262 -14.455 5.304 1.00 0.00 H new ATOM 719 N GLY A 48 5.148 -14.694 1.029 1.00 0.00 N ATOM 720 CA GLY A 48 3.833 -14.865 0.440 1.00 0.00 C ATOM 721 C GLY A 48 3.244 -13.552 -0.026 1.00 0.00 C ATOM 722 O GLY A 48 2.879 -13.399 -1.192 1.00 0.00 O ATOM 0 H GLY A 48 5.658 -13.873 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.901 -15.551 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.166 -15.322 1.170 1.00 0.00 H new ATOM 726 N VAL A 49 3.158 -12.602 0.894 1.00 0.00 N ATOM 727 CA VAL A 49 2.621 -11.286 0.595 1.00 0.00 C ATOM 728 C VAL A 49 3.667 -10.417 -0.100 1.00 0.00 C ATOM 729 O VAL A 49 4.811 -10.331 0.346 1.00 0.00 O ATOM 730 CB VAL A 49 2.140 -10.593 1.884 1.00 0.00 C ATOM 731 CG1 VAL A 49 3.231 -10.610 2.941 1.00 0.00 C ATOM 732 CG2 VAL A 49 1.679 -9.170 1.605 1.00 0.00 C ATOM 0 H VAL A 49 3.457 -12.722 1.862 1.00 0.00 H new ATOM 0 HA VAL A 49 1.772 -11.415 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 49 1.285 -11.151 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.871 -10.116 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.496 -11.641 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.109 -10.085 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.345 -8.707 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.506 -8.595 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.855 -9.188 0.892 1.00 0.00 H new ATOM 742 N ASN A 50 3.270 -9.785 -1.201 1.00 0.00 N ATOM 743 CA ASN A 50 4.176 -8.934 -1.965 1.00 0.00 C ATOM 744 C ASN A 50 4.133 -7.490 -1.475 1.00 0.00 C ATOM 745 O ASN A 50 3.179 -7.071 -0.820 1.00 0.00 O ATOM 746 CB ASN A 50 3.824 -8.987 -3.452 1.00 0.00 C ATOM 747 CG ASN A 50 3.610 -10.405 -3.947 1.00 0.00 C ATOM 748 OD1 ASN A 50 4.567 -11.144 -4.180 1.00 0.00 O ATOM 749 ND2 ASN A 50 2.350 -10.791 -4.110 1.00 0.00 N ATOM 0 H ASN A 50 2.327 -9.846 -1.584 1.00 0.00 H new ATOM 0 HA ASN A 50 5.188 -9.312 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.921 -8.403 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.623 -8.521 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.144 -11.734 -4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.588 -10.145 -3.904 1.00 0.00 H new ATOM 756 N LEU A 51 5.178 -6.737 -1.801 1.00 0.00 N ATOM 757 CA LEU A 51 5.279 -5.339 -1.406 1.00 0.00 C ATOM 758 C LEU A 51 6.281 -4.607 -2.296 1.00 0.00 C ATOM 759 O LEU A 51 7.260 -5.197 -2.754 1.00 0.00 O ATOM 760 CB LEU A 51 5.703 -5.245 0.061 1.00 0.00 C ATOM 761 CG LEU A 51 6.151 -3.859 0.529 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.946 -2.969 0.780 1.00 0.00 C ATOM 763 CD2 LEU A 51 7.004 -3.980 1.781 1.00 0.00 C ATOM 0 H LEU A 51 5.973 -7.076 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 51 4.304 -4.866 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.869 -5.568 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.518 -5.948 0.231 1.00 0.00 H new ATOM 0 HG LEU A 51 6.753 -3.400 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.282 -1.987 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.373 -2.864 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.317 -3.417 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.317 -2.988 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.423 -4.454 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.884 -4.586 1.565 1.00 0.00 H new ATOM 775 N ASN A 52 6.038 -3.322 -2.538 1.00 0.00 N ATOM 776 CA ASN A 52 6.933 -2.528 -3.376 1.00 0.00 C ATOM 777 C ASN A 52 6.909 -1.052 -2.980 1.00 0.00 C ATOM 778 O ASN A 52 5.848 -0.428 -2.926 1.00 0.00 O ATOM 779 CB ASN A 52 6.563 -2.693 -4.856 1.00 0.00 C ATOM 780 CG ASN A 52 5.440 -1.770 -5.299 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.580 -1.028 -6.271 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.320 -1.811 -4.587 1.00 0.00 N ATOM 0 H ASN A 52 5.236 -2.811 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 52 7.948 -2.895 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.445 -2.501 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.268 -3.727 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.533 -1.212 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.246 -2.441 -3.788 1.00 0.00 H new ATOM 789 N CYS A 53 8.089 -0.500 -2.709 1.00 0.00 N ATOM 790 CA CYS A 53 8.219 0.897 -2.324 1.00 0.00 C ATOM 791 C CYS A 53 8.335 1.790 -3.556 1.00 0.00 C ATOM 792 O CYS A 53 8.793 1.352 -4.611 1.00 0.00 O ATOM 793 CB CYS A 53 9.448 1.085 -1.434 1.00 0.00 C ATOM 794 SG CYS A 53 9.855 -0.350 -0.382 1.00 0.00 S ATOM 0 H CYS A 53 8.974 -1.006 -2.750 1.00 0.00 H new ATOM 0 HA CYS A 53 7.325 1.182 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.307 1.310 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.287 1.953 -0.795 1.00 0.00 H new ATOM 799 N CYS A 54 7.921 3.045 -3.413 1.00 0.00 N ATOM 800 CA CYS A 54 7.985 4.002 -4.511 1.00 0.00 C ATOM 801 C CYS A 54 7.930 5.422 -4.004 1.00 0.00 C ATOM 802 O CYS A 54 7.423 5.701 -2.918 1.00 0.00 O ATOM 803 CB CYS A 54 6.860 3.762 -5.519 1.00 0.00 C ATOM 804 SG CYS A 54 5.265 3.305 -4.765 1.00 0.00 S ATOM 0 H CYS A 54 7.537 3.423 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 54 8.940 3.852 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.722 4.665 -6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.165 2.971 -6.205 1.00 0.00 H new ATOM 809 N ARG A 55 8.493 6.306 -4.800 1.00 0.00 N ATOM 810 CA ARG A 55 8.568 7.704 -4.467 1.00 0.00 C ATOM 811 C ARG A 55 7.875 8.562 -5.523 1.00 0.00 C ATOM 812 O ARG A 55 8.301 9.682 -5.803 1.00 0.00 O ATOM 813 CB ARG A 55 10.037 8.094 -4.343 1.00 0.00 C ATOM 814 CG ARG A 55 11.010 6.937 -4.538 1.00 0.00 C ATOM 815 CD ARG A 55 12.432 7.332 -4.166 1.00 0.00 C ATOM 816 NE ARG A 55 12.984 6.469 -3.126 1.00 0.00 N ATOM 817 CZ ARG A 55 14.286 6.358 -2.867 1.00 0.00 C ATOM 818 NH1 ARG A 55 15.170 7.054 -3.571 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.704 5.551 -1.903 1.00 0.00 N ATOM 0 H ARG A 55 8.912 6.069 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 55 8.054 7.877 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.259 8.868 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.203 8.532 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.696 6.090 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.983 6.609 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.065 7.283 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.443 8.366 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 55 12.334 5.918 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.853 7.677 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.166 6.966 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.029 5.014 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.701 5.466 -1.705 1.00 0.00 H new ATOM 833 N THR A 56 6.806 8.030 -6.107 1.00 0.00 N ATOM 834 CA THR A 56 6.057 8.749 -7.130 1.00 0.00 C ATOM 835 C THR A 56 4.634 9.035 -6.664 1.00 0.00 C ATOM 836 O THR A 56 4.074 8.293 -5.855 1.00 0.00 O ATOM 837 CB THR A 56 6.027 7.944 -8.430 1.00 0.00 C ATOM 838 OG1 THR A 56 7.133 7.061 -8.499 1.00 0.00 O ATOM 839 CG2 THR A 56 6.054 8.810 -9.672 1.00 0.00 C ATOM 0 H THR A 56 6.439 7.103 -5.889 1.00 0.00 H new ATOM 0 HA THR A 56 6.559 9.700 -7.310 1.00 0.00 H new ATOM 0 HB THR A 56 5.085 7.397 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.095 6.554 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.031 8.176 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.186 9.469 -9.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.965 9.409 -9.678 1.00 0.00 H new ATOM 847 N ASP A 57 4.053 10.114 -7.178 1.00 0.00 N ATOM 848 CA ASP A 57 2.695 10.497 -6.812 1.00 0.00 C ATOM 849 C ASP A 57 1.695 9.438 -7.264 1.00 0.00 C ATOM 850 O ASP A 57 1.644 9.080 -8.441 1.00 0.00 O ATOM 851 CB ASP A 57 2.338 11.850 -7.430 1.00 0.00 C ATOM 852 CG ASP A 57 1.493 12.701 -6.505 1.00 0.00 C ATOM 853 OD1 ASP A 57 0.455 12.202 -6.022 1.00 0.00 O ATOM 854 OD2 ASP A 57 1.868 13.868 -6.264 1.00 0.00 O ATOM 0 H ASP A 57 4.501 10.738 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 57 2.646 10.580 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.254 12.387 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.800 11.689 -8.364 1.00 0.00 H new ATOM 859 N ARG A 58 0.901 8.939 -6.322 1.00 0.00 N ATOM 860 CA ARG A 58 -0.097 7.919 -6.624 1.00 0.00 C ATOM 861 C ARG A 58 0.567 6.651 -7.151 1.00 0.00 C ATOM 862 O ARG A 58 -0.017 5.921 -7.953 1.00 0.00 O ATOM 863 CB ARG A 58 -1.101 8.446 -7.650 1.00 0.00 C ATOM 864 CG ARG A 58 -1.847 9.688 -7.189 1.00 0.00 C ATOM 865 CD ARG A 58 -2.935 10.082 -8.174 1.00 0.00 C ATOM 866 NE ARG A 58 -4.013 10.828 -7.529 1.00 0.00 N ATOM 867 CZ ARG A 58 -5.222 10.992 -8.060 1.00 0.00 C ATOM 868 NH1 ARG A 58 -5.514 10.460 -9.242 1.00 0.00 N ATOM 869 NH2 ARG A 58 -6.144 11.687 -7.407 1.00 0.00 N ATOM 0 H ARG A 58 0.929 9.224 -5.343 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.625 7.677 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.575 8.672 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.823 7.661 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.290 9.505 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.145 10.513 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.501 10.687 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.343 9.186 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.828 11.248 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.810 9.922 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.443 10.589 -9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.926 12.096 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.071 11.813 -7.814 1.00 0.00 H new ATOM 883 N CYS A 59 1.790 6.396 -6.700 1.00 0.00 N ATOM 884 CA CYS A 59 2.533 5.220 -7.125 1.00 0.00 C ATOM 885 C CYS A 59 1.880 3.941 -6.605 1.00 0.00 C ATOM 886 O CYS A 59 1.983 2.883 -7.228 1.00 0.00 O ATOM 887 CB CYS A 59 3.978 5.316 -6.633 1.00 0.00 C ATOM 888 SG CYS A 59 4.188 5.023 -4.845 1.00 0.00 S ATOM 0 H CYS A 59 2.288 6.991 -6.038 1.00 0.00 H new ATOM 0 HA CYS A 59 2.526 5.181 -8.214 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.584 4.594 -7.180 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.366 6.306 -6.874 1.00 0.00 H new ATOM 893 N ASN A 60 1.214 4.045 -5.460 1.00 0.00 N ATOM 894 CA ASN A 60 0.548 2.898 -4.854 1.00 0.00 C ATOM 895 C ASN A 60 -0.942 2.888 -5.182 1.00 0.00 C ATOM 896 O ASN A 60 -1.747 2.328 -4.438 1.00 0.00 O ATOM 897 CB ASN A 60 0.746 2.916 -3.337 1.00 0.00 C ATOM 898 CG ASN A 60 0.290 4.218 -2.710 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.399 5.019 -3.342 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.676 4.438 -1.459 1.00 0.00 N ATOM 0 H ASN A 60 1.121 4.913 -4.932 1.00 0.00 H new ATOM 0 HA ASN A 60 0.994 1.993 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.194 2.088 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.800 2.756 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.402 5.298 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.247 3.747 -0.972 1.00 0.00 H new ATOM 907 N ASN A 61 -1.306 3.510 -6.300 1.00 0.00 N ATOM 908 CA ASN A 61 -2.698 3.569 -6.721 1.00 0.00 C ATOM 909 C ASN A 61 -3.233 2.174 -7.041 1.00 0.00 C ATOM 910 O ASN A 61 -2.425 1.222 -7.061 1.00 0.00 O ATOM 911 CB ASN A 61 -2.844 4.497 -7.933 1.00 0.00 C ATOM 912 CG ASN A 61 -2.555 3.810 -9.258 1.00 0.00 C ATOM 913 OD1 ASN A 61 -3.226 4.063 -10.259 1.00 0.00 O ATOM 914 ND2 ASN A 61 -1.556 2.938 -9.270 1.00 0.00 N ATOM 915 OXT ASN A 61 -4.454 2.047 -7.270 1.00 0.00 O ATOM 0 H ASN A 61 -0.655 3.980 -6.929 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.289 3.972 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.857 4.898 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.168 5.344 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.318 2.447 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.026 2.758 -8.417 1.00 0.00 H new TER 922 ASN A 61