USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl -165:sc= -7.64! (180deg=-6.75!) USER MOD Set 1.2: A 60 ASN : amide:sc= -3.29! C(o=-11!,f=-8.8!) USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 61 TYR OH : rot 49:sc= 0.0661 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.746 USER MOD Set 3.2: A 19 GLN : amide:sc= 0.881 K(o=1.6,f=0.45) USER MOD Set 4.1: A 8 TYR OH : rot -174:sc= 1.25 USER MOD Set 4.2: A 82 HIS : no HD1:sc= 1 K(o=2.2,f=-2) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 6:sc= 0.703 USER MOD Single : A 21 HIS : no HE2:sc= 0.797 K(o=0.8,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -134:sc= 0 (180deg=-0.0267) USER MOD Single : A 30 TYR OH : rot 112:sc= 1.13 USER MOD Single : A 32 THR OG1 : rot -161:sc= 1.33 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.04 K(o=-1,f=-6.6!) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 39 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= -0.0325 X(o=-0.032,f=-0.032) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -3.82! K(o=-3.8!,f=-2.3) USER MOD Single : A 52 SER OG : rot -35:sc= 0.938 USER MOD Single : A 53 HIS : no HE2:sc= 0.267 K(o=0.27,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -130:sc= -0.0693 USER MOD Single : A 67 THR OG1 : rot -30:sc= 0.171 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 1.06 (180deg=1.06) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -5.244 -12.483 -7.331 1.00 0.00 N ATOM 36 CA ILE A 5 -4.933 -11.621 -6.203 1.00 0.00 C ATOM 37 C ILE A 5 -6.128 -10.763 -5.804 1.00 0.00 C ATOM 38 O ILE A 5 -6.199 -10.310 -4.668 1.00 0.00 O ATOM 39 CB ILE A 5 -3.710 -10.745 -6.541 1.00 0.00 C ATOM 40 CG1 ILE A 5 -3.902 -9.891 -7.813 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.451 -11.618 -6.668 1.00 0.00 C ATOM 42 CD1 ILE A 5 -2.808 -8.838 -7.968 1.00 0.00 C ATOM 0 HA ILE A 5 -4.694 -12.250 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.591 -10.044 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.906 -10.541 -8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.875 -9.400 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.594 -10.988 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.270 -12.135 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.595 -12.351 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.984 -8.261 -8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.821 -8.171 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.837 -9.329 -8.032 1.00 0.00 H new ATOM 54 N ASP A 6 -7.097 -10.577 -6.704 1.00 0.00 N ATOM 55 CA ASP A 6 -8.265 -9.716 -6.498 1.00 0.00 C ATOM 56 C ASP A 6 -9.068 -10.124 -5.271 1.00 0.00 C ATOM 57 O ASP A 6 -9.675 -9.279 -4.624 1.00 0.00 O ATOM 58 CB ASP A 6 -9.142 -9.776 -7.742 1.00 0.00 C ATOM 59 CG ASP A 6 -10.043 -8.554 -7.908 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.574 -7.537 -8.472 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.252 -8.614 -7.598 1.00 0.00 O ATOM 0 H ASP A 6 -7.091 -11.031 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.916 -8.698 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.506 -9.871 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.761 -10.672 -7.698 1.00 0.00 H new ATOM 66 N GLN A 7 -9.015 -11.406 -4.913 1.00 0.00 N ATOM 67 CA GLN A 7 -9.575 -11.954 -3.690 1.00 0.00 C ATOM 68 C GLN A 7 -9.100 -11.220 -2.430 1.00 0.00 C ATOM 69 O GLN A 7 -9.888 -11.065 -1.504 1.00 0.00 O ATOM 70 CB GLN A 7 -9.265 -13.457 -3.634 1.00 0.00 C ATOM 71 CG GLN A 7 -7.768 -13.812 -3.550 1.00 0.00 C ATOM 72 CD GLN A 7 -7.550 -15.289 -3.856 1.00 0.00 C ATOM 73 OE1 GLN A 7 -8.164 -16.154 -3.234 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.720 -15.601 -4.840 1.00 0.00 N ATOM 0 H GLN A 7 -8.563 -12.114 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.655 -11.806 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.773 -13.885 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.686 -13.933 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.204 -13.202 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.389 -13.581 -2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.223 -14.864 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.578 -16.578 -5.097 1.00 0.00 H new ATOM 83 N TYR A 8 -7.855 -10.734 -2.396 1.00 0.00 N ATOM 84 CA TYR A 8 -7.292 -10.018 -1.256 1.00 0.00 C ATOM 85 C TYR A 8 -7.607 -8.516 -1.316 1.00 0.00 C ATOM 86 O TYR A 8 -7.236 -7.802 -0.384 1.00 0.00 O ATOM 87 CB TYR A 8 -5.765 -10.244 -1.197 1.00 0.00 C ATOM 88 CG TYR A 8 -5.328 -11.684 -1.032 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.362 -12.281 0.240 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.904 -12.429 -2.150 1.00 0.00 C ATOM 91 CE1 TYR A 8 -5.022 -13.634 0.393 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.571 -13.789 -2.005 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.631 -14.398 -0.728 1.00 0.00 C ATOM 94 OH TYR A 8 -4.339 -15.716 -0.585 1.00 0.00 O ATOM 0 H TYR A 8 -7.203 -10.831 -3.174 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.752 -10.413 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.321 -9.850 -2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.360 -9.662 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.650 -11.697 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.834 -11.957 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.060 -14.092 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.270 -14.367 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.998 -16.069 -1.433 1.00 0.00 H new ATOM 104 N ALA A 9 -8.203 -8.002 -2.406 1.00 0.00 N ATOM 105 CA ALA A 9 -8.484 -6.586 -2.546 1.00 0.00 C ATOM 106 C ALA A 9 -9.653 -6.218 -1.644 1.00 0.00 C ATOM 107 O ALA A 9 -10.806 -6.470 -2.003 1.00 0.00 O ATOM 108 CB ALA A 9 -8.764 -6.209 -4.004 1.00 0.00 C ATOM 0 H ALA A 9 -8.497 -8.564 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.605 -6.019 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.970 -5.141 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.894 -6.449 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.627 -6.768 -4.365 1.00 0.00 H new ATOM 114 N LEU A 10 -9.358 -5.619 -0.490 1.00 0.00 N ATOM 115 CA LEU A 10 -10.377 -5.279 0.489 1.00 0.00 C ATOM 116 C LEU A 10 -11.170 -4.114 -0.087 1.00 0.00 C ATOM 117 O LEU A 10 -10.567 -3.121 -0.498 1.00 0.00 O ATOM 118 CB LEU A 10 -9.702 -4.920 1.830 1.00 0.00 C ATOM 119 CG LEU A 10 -8.906 -6.073 2.478 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.377 -5.641 3.848 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.731 -7.350 2.646 1.00 0.00 C ATOM 0 H LEU A 10 -8.411 -5.359 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.051 -6.112 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.030 -4.077 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.468 -4.587 2.530 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.083 -6.298 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.817 -6.461 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.723 -4.777 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.214 -5.377 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.116 -8.123 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.593 -7.146 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.073 -7.693 1.670 1.00 0.00 H new ATOM 133 N LYS A 11 -12.504 -4.155 -0.138 1.00 0.00 N ATOM 134 CA LYS A 11 -13.206 -2.934 -0.521 1.00 0.00 C ATOM 135 C LYS A 11 -12.974 -1.848 0.521 1.00 0.00 C ATOM 136 O LYS A 11 -12.968 -0.667 0.176 1.00 0.00 O ATOM 137 CB LYS A 11 -14.705 -3.156 -0.697 1.00 0.00 C ATOM 138 CG LYS A 11 -15.029 -4.060 -1.896 1.00 0.00 C ATOM 139 CD LYS A 11 -16.432 -3.769 -2.443 1.00 0.00 C ATOM 140 CE LYS A 11 -16.419 -2.446 -3.227 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.752 -1.833 -3.427 1.00 0.00 N ATOM 0 H LYS A 11 -13.087 -4.966 0.067 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.801 -2.622 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.112 -3.602 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.199 -2.193 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.290 -3.906 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.962 -5.106 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.756 -4.583 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.147 -3.710 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.782 -1.734 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.965 -2.622 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.650 -0.948 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.360 -2.490 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.183 -1.630 -2.503 1.00 0.00 H new ATOM 155 N GLU A 12 -12.748 -2.222 1.776 1.00 0.00 N ATOM 156 CA GLU A 12 -12.648 -1.290 2.878 1.00 0.00 C ATOM 157 C GLU A 12 -11.832 -1.897 4.003 1.00 0.00 C ATOM 158 O GLU A 12 -11.685 -3.115 4.082 1.00 0.00 O ATOM 159 CB GLU A 12 -14.056 -0.900 3.341 1.00 0.00 C ATOM 160 CG GLU A 12 -14.885 -2.039 3.965 1.00 0.00 C ATOM 161 CD GLU A 12 -16.374 -1.688 4.169 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.951 -0.913 3.373 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.012 -2.213 5.112 1.00 0.00 O ATOM 0 H GLU A 12 -12.628 -3.196 2.053 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.133 -0.385 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.970 -0.094 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.603 -0.501 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.813 -2.919 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.450 -2.307 4.928 1.00 0.00 H new ATOM 170 N PHE A 13 -11.301 -1.042 4.863 1.00 0.00 N ATOM 171 CA PHE A 13 -10.482 -1.411 6.010 1.00 0.00 C ATOM 172 C PHE A 13 -10.447 -0.278 7.044 1.00 0.00 C ATOM 173 O PHE A 13 -11.042 0.781 6.828 1.00 0.00 O ATOM 174 CB PHE A 13 -9.069 -1.777 5.526 1.00 0.00 C ATOM 175 CG PHE A 13 -8.310 -0.645 4.856 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.542 0.238 5.633 1.00 0.00 C ATOM 177 CD2 PHE A 13 -8.328 -0.500 3.457 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.747 1.221 5.024 1.00 0.00 C ATOM 179 CE2 PHE A 13 -7.569 0.513 2.845 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.768 1.367 3.627 1.00 0.00 C ATOM 0 H PHE A 13 -11.433 -0.034 4.779 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.919 -2.279 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.489 -2.130 6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.145 -2.609 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.564 0.160 6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.925 -1.167 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.122 1.863 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.600 0.636 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.171 2.133 3.154 1.00 0.00 H new ATOM 190 N THR A 14 -9.695 -0.468 8.132 1.00 0.00 N ATOM 191 CA THR A 14 -9.391 0.556 9.127 1.00 0.00 C ATOM 192 C THR A 14 -7.893 0.496 9.431 1.00 0.00 C ATOM 193 O THR A 14 -7.332 -0.601 9.519 1.00 0.00 O ATOM 194 CB THR A 14 -10.236 0.309 10.386 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.588 0.158 10.031 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.165 1.433 11.423 1.00 0.00 C ATOM 0 H THR A 14 -9.269 -1.369 8.348 1.00 0.00 H new ATOM 0 HA THR A 14 -9.635 1.551 8.755 1.00 0.00 H new ATOM 0 HB THR A 14 -9.819 -0.591 10.837 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.122 -0.000 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.790 1.178 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.134 1.560 11.752 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.521 2.362 10.978 1.00 0.00 H new ATOM 204 N ALA A 15 -7.232 1.648 9.575 1.00 0.00 N ATOM 205 CA ALA A 15 -5.847 1.742 10.020 1.00 0.00 C ATOM 206 C ALA A 15 -5.628 3.065 10.753 1.00 0.00 C ATOM 207 O ALA A 15 -6.257 4.072 10.424 1.00 0.00 O ATOM 208 CB ALA A 15 -4.899 1.609 8.821 1.00 0.00 C ATOM 0 H ALA A 15 -7.656 2.555 9.381 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.632 0.928 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.867 1.681 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.055 0.644 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.101 2.408 8.107 1.00 0.00 H new ATOM 214 N ASP A 16 -4.698 3.088 11.711 1.00 0.00 N ATOM 215 CA ASP A 16 -4.321 4.257 12.521 1.00 0.00 C ATOM 216 C ASP A 16 -5.543 5.034 13.023 1.00 0.00 C ATOM 217 O ASP A 16 -5.586 6.267 13.018 1.00 0.00 O ATOM 218 CB ASP A 16 -3.314 5.135 11.765 1.00 0.00 C ATOM 219 CG ASP A 16 -1.935 5.065 12.410 1.00 0.00 C ATOM 220 OD1 ASP A 16 -1.725 5.691 13.476 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.076 4.340 11.868 1.00 0.00 O ATOM 0 H ASP A 16 -4.161 2.256 11.957 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.821 3.899 13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.250 4.810 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.662 6.168 11.755 1.00 0.00 H new ATOM 226 N PHE A 17 -6.554 4.285 13.445 1.00 0.00 N ATOM 227 CA PHE A 17 -7.809 4.762 14.016 1.00 0.00 C ATOM 228 C PHE A 17 -8.560 5.667 13.023 1.00 0.00 C ATOM 229 O PHE A 17 -8.958 6.786 13.354 1.00 0.00 O ATOM 230 CB PHE A 17 -7.548 5.417 15.391 1.00 0.00 C ATOM 231 CG PHE A 17 -6.642 4.627 16.321 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.180 3.640 17.166 1.00 0.00 C ATOM 233 CD2 PHE A 17 -5.253 4.867 16.326 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.335 2.884 17.999 1.00 0.00 C ATOM 235 CE2 PHE A 17 -4.405 4.107 17.147 1.00 0.00 C ATOM 236 CZ PHE A 17 -4.946 3.111 17.981 1.00 0.00 C ATOM 0 H PHE A 17 -6.518 3.267 13.395 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.475 3.919 14.197 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.107 6.401 15.229 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.505 5.574 15.889 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.245 3.462 17.176 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.839 5.640 15.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.751 2.131 18.651 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.340 4.286 17.139 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.295 2.520 18.608 1.00 0.00 H new ATOM 246 N THR A 18 -8.717 5.220 11.775 1.00 0.00 N ATOM 247 CA THR A 18 -9.589 5.808 10.756 1.00 0.00 C ATOM 248 C THR A 18 -10.014 4.701 9.773 1.00 0.00 C ATOM 249 O THR A 18 -9.229 3.791 9.497 1.00 0.00 O ATOM 250 CB THR A 18 -8.819 6.934 10.042 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.505 7.982 10.947 1.00 0.00 O ATOM 252 CG2 THR A 18 -9.591 7.566 8.886 1.00 0.00 C ATOM 0 H THR A 18 -8.216 4.400 11.432 1.00 0.00 H new ATOM 0 HA THR A 18 -10.488 6.234 11.201 1.00 0.00 H new ATOM 0 HB THR A 18 -7.923 6.454 9.649 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.768 7.721 11.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.987 8.351 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.818 6.804 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.520 7.995 9.261 1.00 0.00 H new ATOM 260 N GLN A 19 -11.250 4.777 9.272 1.00 0.00 N ATOM 261 CA GLN A 19 -11.867 3.882 8.294 1.00 0.00 C ATOM 262 C GLN A 19 -11.539 4.354 6.869 1.00 0.00 C ATOM 263 O GLN A 19 -11.458 5.564 6.631 1.00 0.00 O ATOM 264 CB GLN A 19 -13.387 3.936 8.531 1.00 0.00 C ATOM 265 CG GLN A 19 -14.162 2.773 7.906 1.00 0.00 C ATOM 266 CD GLN A 19 -14.878 1.928 8.958 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.102 1.924 9.069 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.151 1.166 9.749 1.00 0.00 N ATOM 0 H GLN A 19 -11.889 5.518 9.560 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.492 2.865 8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.576 3.948 9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.773 4.873 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.892 3.164 7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.475 2.142 7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.135 1.164 9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.604 0.578 10.448 1.00 0.00 H new ATOM 277 N PHE A 20 -11.416 3.428 5.912 1.00 0.00 N ATOM 278 CA PHE A 20 -11.027 3.676 4.520 1.00 0.00 C ATOM 279 C PHE A 20 -11.744 2.745 3.558 1.00 0.00 C ATOM 280 O PHE A 20 -12.193 1.666 3.951 1.00 0.00 O ATOM 281 CB PHE A 20 -9.528 3.454 4.349 1.00 0.00 C ATOM 282 CG PHE A 20 -8.652 4.312 5.232 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.356 5.644 4.888 1.00 0.00 C ATOM 284 CD2 PHE A 20 -8.139 3.765 6.418 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.531 6.419 5.722 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.300 4.535 7.236 1.00 0.00 C ATOM 287 CZ PHE A 20 -7.001 5.864 6.899 1.00 0.00 C ATOM 0 H PHE A 20 -11.593 2.440 6.095 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.300 4.707 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.306 2.406 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.264 3.642 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.763 6.071 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.390 2.753 6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.305 7.441 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.881 4.102 8.132 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.367 6.457 7.541 1.00 0.00 H new ATOM 297 N HIS A 21 -11.781 3.145 2.285 1.00 0.00 N ATOM 298 CA HIS A 21 -12.386 2.420 1.180 1.00 0.00 C ATOM 299 C HIS A 21 -11.510 2.594 -0.066 1.00 0.00 C ATOM 300 O HIS A 21 -10.624 3.455 -0.092 1.00 0.00 O ATOM 301 CB HIS A 21 -13.811 2.947 0.928 1.00 0.00 C ATOM 302 CG HIS A 21 -14.634 3.110 2.186 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.601 4.207 3.016 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.488 2.197 2.738 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.371 3.941 4.085 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.942 2.726 3.955 1.00 0.00 N ATOM 0 H HIS A 21 -11.367 4.029 1.989 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.455 1.359 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.748 3.909 0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.327 2.263 0.254 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -14.083 5.070 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.763 1.242 2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.512 4.604 4.926 1.00 0.00 H new ATOM 314 N ILE A 22 -11.783 1.821 -1.123 1.00 0.00 N ATOM 315 CA ILE A 22 -11.154 2.017 -2.428 1.00 0.00 C ATOM 316 C ILE A 22 -11.499 3.439 -2.871 1.00 0.00 C ATOM 317 O ILE A 22 -12.679 3.777 -3.013 1.00 0.00 O ATOM 318 CB ILE A 22 -11.655 0.985 -3.466 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.430 -0.489 -3.070 1.00 0.00 C ATOM 320 CG2 ILE A 22 -11.060 1.246 -4.864 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.973 -0.957 -3.026 1.00 0.00 C ATOM 0 H ILE A 22 -12.444 1.045 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.076 1.875 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.734 1.135 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.873 -0.652 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.973 -1.120 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.436 0.500 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.350 2.241 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.973 1.182 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.937 -2.007 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.522 -0.836 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.421 -0.361 -2.299 1.00 0.00 H new ATOM 333 N GLY A 23 -10.487 4.261 -3.124 1.00 0.00 N ATOM 334 CA GLY A 23 -10.669 5.611 -3.624 1.00 0.00 C ATOM 335 C GLY A 23 -10.808 6.663 -2.526 1.00 0.00 C ATOM 336 O GLY A 23 -11.065 7.818 -2.864 1.00 0.00 O ATOM 0 H GLY A 23 -9.510 4.003 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.821 5.871 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.558 5.638 -4.254 1.00 0.00 H new ATOM 340 N ASP A 24 -10.639 6.313 -1.248 1.00 0.00 N ATOM 341 CA ASP A 24 -10.340 7.309 -0.211 1.00 0.00 C ATOM 342 C ASP A 24 -8.844 7.680 -0.288 1.00 0.00 C ATOM 343 O ASP A 24 -8.145 7.235 -1.202 1.00 0.00 O ATOM 344 CB ASP A 24 -10.766 6.793 1.177 1.00 0.00 C ATOM 345 CG ASP A 24 -12.240 7.072 1.478 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.664 8.252 1.419 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.960 6.119 1.850 1.00 0.00 O ATOM 0 H ASP A 24 -10.703 5.354 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.916 8.219 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.584 5.720 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.147 7.263 1.941 1.00 0.00 H new ATOM 352 N THR A 25 -8.314 8.463 0.655 1.00 0.00 N ATOM 353 CA THR A 25 -6.900 8.819 0.767 1.00 0.00 C ATOM 354 C THR A 25 -6.385 8.387 2.141 1.00 0.00 C ATOM 355 O THR A 25 -7.076 8.572 3.149 1.00 0.00 O ATOM 356 CB THR A 25 -6.669 10.338 0.582 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.786 11.071 0.118 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.544 10.620 -0.403 1.00 0.00 C ATOM 0 H THR A 25 -8.883 8.883 1.391 1.00 0.00 H new ATOM 0 HA THR A 25 -6.357 8.304 -0.026 1.00 0.00 H new ATOM 0 HB THR A 25 -6.433 10.667 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.545 12.017 0.034 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.412 11.697 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.619 10.175 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.794 10.191 -1.373 1.00 0.00 H new ATOM 366 N VAL A 26 -5.163 7.856 2.206 1.00 0.00 N ATOM 367 CA VAL A 26 -4.483 7.633 3.482 1.00 0.00 C ATOM 368 C VAL A 26 -4.112 8.984 4.118 1.00 0.00 C ATOM 369 O VAL A 26 -4.018 9.986 3.409 1.00 0.00 O ATOM 370 CB VAL A 26 -3.235 6.742 3.287 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.609 5.349 2.773 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.177 7.354 2.356 1.00 0.00 C ATOM 0 H VAL A 26 -4.624 7.572 1.388 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.158 7.108 4.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.793 6.663 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.705 4.752 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.270 4.862 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.119 5.440 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.331 6.672 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.612 7.521 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.836 8.304 2.768 1.00 0.00 H new ATOM 382 N PRO A 27 -3.855 9.032 5.437 1.00 0.00 N ATOM 383 CA PRO A 27 -3.132 10.136 6.052 1.00 0.00 C ATOM 384 C PRO A 27 -1.666 10.116 5.618 1.00 0.00 C ATOM 385 O PRO A 27 -1.143 9.081 5.189 1.00 0.00 O ATOM 386 CB PRO A 27 -3.230 9.880 7.558 1.00 0.00 C ATOM 387 CG PRO A 27 -3.315 8.365 7.656 1.00 0.00 C ATOM 388 CD PRO A 27 -4.138 8.001 6.423 1.00 0.00 C ATOM 0 HA PRO A 27 -3.543 11.104 5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.361 10.268 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.108 10.360 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.329 7.901 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.801 8.044 8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.864 7.015 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.202 7.968 6.659 1.00 0.00 H new ATOM 396 N ALA A 28 -0.968 11.222 5.886 1.00 0.00 N ATOM 397 CA ALA A 28 0.450 11.401 5.604 1.00 0.00 C ATOM 398 C ALA A 28 1.311 10.312 6.256 1.00 0.00 C ATOM 399 O ALA A 28 2.386 9.993 5.751 1.00 0.00 O ATOM 400 CB ALA A 28 0.886 12.794 6.064 1.00 0.00 C ATOM 0 H ALA A 28 -1.392 12.042 6.320 1.00 0.00 H new ATOM 0 HA ALA A 28 0.599 11.311 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.947 12.931 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.310 13.550 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.712 12.894 7.135 1.00 0.00 H new ATOM 406 N MET A 29 0.790 9.692 7.322 1.00 0.00 N ATOM 407 CA MET A 29 1.405 8.600 8.072 1.00 0.00 C ATOM 408 C MET A 29 1.771 7.393 7.210 1.00 0.00 C ATOM 409 O MET A 29 2.545 6.547 7.648 1.00 0.00 O ATOM 410 CB MET A 29 0.480 8.105 9.193 1.00 0.00 C ATOM 411 CG MET A 29 -0.165 9.241 9.983 1.00 0.00 C ATOM 412 SD MET A 29 -0.363 8.913 11.753 1.00 0.00 S ATOM 413 CE MET A 29 1.363 9.087 12.285 1.00 0.00 C ATOM 0 H MET A 29 -0.120 9.955 7.701 1.00 0.00 H new ATOM 0 HA MET A 29 2.322 9.027 8.479 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.302 7.481 8.761 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.051 7.475 9.875 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.439 10.140 9.859 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.145 9.453 9.555 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.626 8.259 12.943 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.015 9.079 11.412 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.486 10.028 12.821 1.00 0.00 H new ATOM 423 N TYR A 30 1.206 7.306 6.006 1.00 0.00 N ATOM 424 CA TYR A 30 1.473 6.235 5.050 1.00 0.00 C ATOM 425 C TYR A 30 2.074 6.722 3.727 1.00 0.00 C ATOM 426 O TYR A 30 2.376 5.888 2.875 1.00 0.00 O ATOM 427 CB TYR A 30 0.185 5.445 4.821 1.00 0.00 C ATOM 428 CG TYR A 30 -0.334 4.779 6.076 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.275 3.603 6.549 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.368 5.385 6.813 1.00 0.00 C ATOM 431 CE1 TYR A 30 -0.144 3.037 7.764 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.789 4.833 8.035 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.172 3.649 8.511 1.00 0.00 C ATOM 434 OH TYR A 30 -1.570 3.075 9.674 1.00 0.00 O ATOM 0 H TYR A 30 0.536 7.994 5.662 1.00 0.00 H new ATOM 0 HA TYR A 30 2.238 5.590 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.580 6.115 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.363 4.685 4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.064 3.136 5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.841 6.280 6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.321 2.132 8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.575 5.306 8.606 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.309 3.646 10.427 1.00 0.00 H new ATOM 444 N LEU A 31 2.270 8.034 3.541 1.00 0.00 N ATOM 445 CA LEU A 31 3.000 8.589 2.396 1.00 0.00 C ATOM 446 C LEU A 31 4.511 8.463 2.615 1.00 0.00 C ATOM 447 O LEU A 31 5.267 8.436 1.646 1.00 0.00 O ATOM 448 CB LEU A 31 2.648 10.078 2.176 1.00 0.00 C ATOM 449 CG LEU A 31 1.358 10.393 1.391 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.464 10.024 -0.091 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.127 9.705 1.956 1.00 0.00 C ATOM 0 H LEU A 31 1.924 8.744 4.186 1.00 0.00 H new ATOM 0 HA LEU A 31 2.705 8.021 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.573 10.554 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.482 10.548 1.656 1.00 0.00 H new ATOM 0 HG LEU A 31 1.244 11.472 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.528 10.267 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.279 10.586 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.661 8.956 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.745 9.969 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.270 8.625 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.029 10.027 2.986 1.00 0.00 H new ATOM 463 N THR A 32 4.947 8.379 3.869 1.00 0.00 N ATOM 464 CA THR A 32 6.335 8.363 4.321 1.00 0.00 C ATOM 465 C THR A 32 7.173 7.222 3.705 1.00 0.00 C ATOM 466 O THR A 32 6.651 6.147 3.375 1.00 0.00 O ATOM 467 CB THR A 32 6.368 8.384 5.875 1.00 0.00 C ATOM 468 OG1 THR A 32 7.540 7.819 6.431 1.00 0.00 O ATOM 469 CG2 THR A 32 5.201 7.621 6.487 1.00 0.00 C ATOM 0 H THR A 32 4.294 8.316 4.650 1.00 0.00 H new ATOM 0 HA THR A 32 6.823 9.265 3.953 1.00 0.00 H new ATOM 0 HB THR A 32 6.321 9.447 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.378 7.587 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.268 7.664 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.262 8.071 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.236 6.581 6.163 1.00 0.00 H new ATOM 477 N PRO A 33 8.505 7.415 3.616 1.00 0.00 N ATOM 478 CA PRO A 33 9.484 6.402 3.225 1.00 0.00 C ATOM 479 C PRO A 33 9.642 5.264 4.242 1.00 0.00 C ATOM 480 O PRO A 33 10.378 4.317 3.945 1.00 0.00 O ATOM 481 CB PRO A 33 10.806 7.170 3.107 1.00 0.00 C ATOM 482 CG PRO A 33 10.656 8.294 4.122 1.00 0.00 C ATOM 483 CD PRO A 33 9.191 8.661 3.945 1.00 0.00 C ATOM 0 HA PRO A 33 9.165 5.914 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.661 6.534 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.957 7.557 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.877 7.964 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.319 9.132 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.786 9.102 4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.066 9.398 3.151 1.00 0.00 H new ATOM 491 N GLU A 34 8.993 5.331 5.408 1.00 0.00 N ATOM 492 CA GLU A 34 8.991 4.276 6.418 1.00 0.00 C ATOM 493 C GLU A 34 8.429 2.997 5.796 1.00 0.00 C ATOM 494 O GLU A 34 9.148 2.007 5.636 1.00 0.00 O ATOM 495 CB GLU A 34 8.155 4.717 7.636 1.00 0.00 C ATOM 496 CG GLU A 34 8.929 5.685 8.541 1.00 0.00 C ATOM 497 CD GLU A 34 7.991 6.426 9.503 1.00 0.00 C ATOM 498 OE1 GLU A 34 7.459 7.492 9.111 1.00 0.00 O ATOM 499 OE2 GLU A 34 7.789 5.978 10.654 1.00 0.00 O ATOM 0 H GLU A 34 8.440 6.144 5.680 1.00 0.00 H new ATOM 0 HA GLU A 34 10.007 4.084 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.238 5.196 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.860 3.839 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.676 5.133 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.467 6.407 7.927 1.00 0.00 H new ATOM 506 N TYR A 35 7.156 3.053 5.401 1.00 0.00 N ATOM 507 CA TYR A 35 6.336 1.909 5.005 1.00 0.00 C ATOM 508 C TYR A 35 6.480 1.565 3.525 1.00 0.00 C ATOM 509 O TYR A 35 5.777 0.689 3.035 1.00 0.00 O ATOM 510 CB TYR A 35 4.868 2.201 5.350 1.00 0.00 C ATOM 511 CG TYR A 35 4.695 2.597 6.798 1.00 0.00 C ATOM 512 CD1 TYR A 35 4.631 1.615 7.799 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.717 3.956 7.151 1.00 0.00 C ATOM 514 CE1 TYR A 35 4.649 1.990 9.151 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.743 4.346 8.495 1.00 0.00 C ATOM 516 CZ TYR A 35 4.754 3.357 9.500 1.00 0.00 C ATOM 517 OH TYR A 35 4.882 3.741 10.795 1.00 0.00 O ATOM 0 H TYR A 35 6.647 3.935 5.346 1.00 0.00 H new ATOM 0 HA TYR A 35 6.687 1.038 5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.497 3.000 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.264 1.318 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.568 0.571 7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.714 4.709 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.583 1.237 9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.755 5.393 8.759 1.00 0.00 H new ATOM 0 HH TYR A 35 4.942 4.718 10.842 1.00 0.00 H new ATOM 527 N ASN A 36 7.348 2.280 2.810 1.00 0.00 N ATOM 528 CA ASN A 36 7.713 2.072 1.414 1.00 0.00 C ATOM 529 C ASN A 36 8.270 0.660 1.215 1.00 0.00 C ATOM 530 O ASN A 36 9.134 0.231 1.988 1.00 0.00 O ATOM 531 CB ASN A 36 8.771 3.132 1.093 1.00 0.00 C ATOM 532 CG ASN A 36 9.387 3.004 -0.289 1.00 0.00 C ATOM 533 OD1 ASN A 36 10.112 2.058 -0.575 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.199 4.005 -1.131 1.00 0.00 N ATOM 0 H ASN A 36 7.846 3.071 3.219 1.00 0.00 H new ATOM 0 HA ASN A 36 6.852 2.166 0.752 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.319 4.119 1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.564 3.073 1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.662 4.001 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.591 4.782 -0.872 1.00 0.00 H new ATOM 541 N ILE A 37 7.808 -0.065 0.196 1.00 0.00 N ATOM 542 CA ILE A 37 8.179 -1.449 -0.068 1.00 0.00 C ATOM 543 C ILE A 37 8.850 -1.512 -1.447 1.00 0.00 C ATOM 544 O ILE A 37 8.255 -1.927 -2.446 1.00 0.00 O ATOM 545 CB ILE A 37 6.966 -2.406 0.086 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.009 -2.107 1.269 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.503 -3.844 0.192 1.00 0.00 C ATOM 548 CD1 ILE A 37 6.606 -2.289 2.658 1.00 0.00 C ATOM 0 H ILE A 37 7.147 0.308 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 37 8.897 -1.800 0.673 1.00 0.00 H new ATOM 0 HB ILE A 37 6.347 -2.255 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.655 -1.080 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.136 -2.754 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.669 -4.537 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.064 -4.090 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.158 -3.925 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.854 -2.054 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.933 -3.322 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.459 -1.622 2.778 1.00 0.00 H new ATOM 560 N LYS A 38 10.137 -1.148 -1.512 1.00 0.00 N ATOM 561 CA LYS A 38 10.962 -1.280 -2.721 1.00 0.00 C ATOM 562 C LYS A 38 10.924 -2.700 -3.292 1.00 0.00 C ATOM 563 O LYS A 38 11.141 -2.899 -4.491 1.00 0.00 O ATOM 564 CB LYS A 38 12.436 -0.929 -2.426 1.00 0.00 C ATOM 565 CG LYS A 38 12.725 0.467 -1.863 1.00 0.00 C ATOM 566 CD LYS A 38 12.317 1.606 -2.807 1.00 0.00 C ATOM 567 CE LYS A 38 12.557 2.994 -2.198 1.00 0.00 C ATOM 568 NZ LYS A 38 13.981 3.287 -1.953 1.00 0.00 N ATOM 0 H LYS A 38 10.640 -0.750 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 38 10.543 -0.586 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.824 -1.664 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.002 -1.044 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.198 0.584 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.790 0.549 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.878 1.520 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.262 1.502 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.147 3.752 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.011 3.069 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.075 4.244 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.367 2.595 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.506 3.229 -2.849 1.00 0.00 H new ATOM 582 N GLN A 39 10.725 -3.708 -2.446 1.00 0.00 N ATOM 583 CA GLN A 39 10.966 -5.111 -2.756 1.00 0.00 C ATOM 584 C GLN A 39 9.894 -5.739 -3.656 1.00 0.00 C ATOM 585 O GLN A 39 10.015 -6.923 -3.954 1.00 0.00 O ATOM 586 CB GLN A 39 11.121 -5.935 -1.461 1.00 0.00 C ATOM 587 CG GLN A 39 12.100 -5.352 -0.430 1.00 0.00 C ATOM 588 CD GLN A 39 11.402 -4.377 0.509 1.00 0.00 C ATOM 589 OE1 GLN A 39 11.406 -3.166 0.295 1.00 0.00 O ATOM 590 NE2 GLN A 39 10.750 -4.862 1.541 1.00 0.00 N ATOM 0 H GLN A 39 10.381 -3.564 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 39 11.896 -5.135 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.142 -6.035 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.452 -6.939 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.546 -6.161 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.914 -4.843 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.748 -5.867 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.246 -4.234 2.167 1.00 0.00 H new ATOM 599 N TRP A 40 8.859 -5.013 -4.094 1.00 0.00 N ATOM 600 CA TRP A 40 7.652 -5.577 -4.705 1.00 0.00 C ATOM 601 C TRP A 40 7.859 -6.405 -5.986 1.00 0.00 C ATOM 602 O TRP A 40 6.878 -6.936 -6.483 1.00 0.00 O ATOM 603 CB TRP A 40 6.605 -4.468 -4.942 1.00 0.00 C ATOM 604 CG TRP A 40 6.933 -3.460 -6.006 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.433 -2.225 -5.775 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.837 -3.586 -7.464 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.684 -1.594 -6.975 1.00 0.00 N ATOM 608 CE2 TRP A 40 7.388 -2.405 -8.046 1.00 0.00 C ATOM 609 CE3 TRP A 40 6.375 -4.571 -8.369 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.549 -2.246 -9.430 1.00 0.00 C ATOM 611 CZ3 TRP A 40 6.618 -4.457 -9.749 1.00 0.00 C ATOM 612 CH2 TRP A 40 7.204 -3.302 -10.283 1.00 0.00 C ATOM 0 H TRP A 40 8.838 -3.995 -4.032 1.00 0.00 H new ATOM 0 HA TRP A 40 7.293 -6.303 -3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.658 -4.941 -5.200 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.451 -3.936 -4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.609 -1.798 -4.799 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.045 -0.643 -7.058 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.828 -5.423 -7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.934 -1.321 -9.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.349 -5.271 -10.406 1.00 0.00 H new ATOM 0 HH2 TRP A 40 7.388 -3.226 -11.344 1.00 0.00 H new ATOM 623 N GLN A 41 9.060 -6.554 -6.557 1.00 0.00 N ATOM 624 CA GLN A 41 9.248 -7.281 -7.816 1.00 0.00 C ATOM 625 C GLN A 41 8.696 -8.716 -7.767 1.00 0.00 C ATOM 626 O GLN A 41 8.124 -9.167 -8.755 1.00 0.00 O ATOM 627 CB GLN A 41 10.735 -7.287 -8.229 1.00 0.00 C ATOM 628 CG GLN A 41 10.976 -6.681 -9.623 1.00 0.00 C ATOM 629 CD GLN A 41 10.234 -7.397 -10.751 1.00 0.00 C ATOM 630 OE1 GLN A 41 9.400 -6.798 -11.428 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.532 -8.662 -11.000 1.00 0.00 N ATOM 0 H GLN A 41 9.922 -6.177 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 41 8.671 -6.747 -8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.313 -6.729 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.106 -8.312 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.672 -5.634 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.045 -6.700 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.226 -9.144 -10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.068 -9.155 -11.763 1.00 0.00 H new ATOM 640 N GLN A 42 8.876 -9.443 -6.656 1.00 0.00 N ATOM 641 CA GLN A 42 8.541 -10.848 -6.530 1.00 0.00 C ATOM 642 C GLN A 42 7.869 -11.116 -5.180 1.00 0.00 C ATOM 643 O GLN A 42 8.361 -11.904 -4.367 1.00 0.00 O ATOM 644 CB GLN A 42 9.832 -11.652 -6.688 1.00 0.00 C ATOM 645 CG GLN A 42 10.414 -11.640 -8.102 1.00 0.00 C ATOM 646 CD GLN A 42 10.927 -13.027 -8.473 1.00 0.00 C ATOM 647 OE1 GLN A 42 11.780 -13.610 -7.809 1.00 0.00 O ATOM 648 NE2 GLN A 42 10.369 -13.640 -9.498 1.00 0.00 N ATOM 0 H GLN A 42 9.270 -9.049 -5.802 1.00 0.00 H new ATOM 0 HA GLN A 42 7.831 -11.147 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.578 -11.258 -5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.641 -12.684 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.652 -11.324 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.226 -10.916 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.660 -13.162 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.646 -14.592 -9.735 1.00 0.00 H new ATOM 657 N ARG A 43 6.780 -10.407 -4.887 1.00 0.00 N ATOM 658 CA ARG A 43 6.047 -10.490 -3.616 1.00 0.00 C ATOM 659 C ARG A 43 4.541 -10.499 -3.868 1.00 0.00 C ATOM 660 O ARG A 43 3.782 -9.938 -3.071 1.00 0.00 O ATOM 661 CB ARG A 43 6.463 -9.366 -2.645 1.00 0.00 C ATOM 662 CG ARG A 43 7.978 -9.297 -2.478 1.00 0.00 C ATOM 663 CD ARG A 43 8.470 -8.463 -1.298 1.00 0.00 C ATOM 664 NE ARG A 43 8.274 -9.091 0.018 1.00 0.00 N ATOM 665 CZ ARG A 43 8.997 -10.101 0.521 1.00 0.00 C ATOM 666 NH1 ARG A 43 9.812 -10.804 -0.251 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.911 -10.423 1.805 1.00 0.00 N ATOM 0 H ARG A 43 6.369 -9.741 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 43 6.310 -11.431 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.094 -8.410 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.997 -9.533 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.361 -10.312 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.409 -8.891 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.532 -8.256 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.955 -7.503 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 43 7.520 -8.725 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.896 -10.579 -1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.356 -11.570 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.289 -9.900 2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.467 -11.194 2.176 1.00 0.00 H new ATOM 681 N ASN A 44 4.118 -11.127 -4.970 1.00 0.00 N ATOM 682 CA ASN A 44 2.748 -11.430 -5.392 1.00 0.00 C ATOM 683 C ASN A 44 1.989 -10.220 -5.926 1.00 0.00 C ATOM 684 O ASN A 44 1.203 -10.345 -6.867 1.00 0.00 O ATOM 685 CB ASN A 44 1.950 -12.074 -4.252 1.00 0.00 C ATOM 686 CG ASN A 44 2.639 -13.313 -3.717 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.595 -13.258 -2.946 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.203 -14.463 -4.164 1.00 0.00 N ATOM 0 H ASN A 44 4.793 -11.469 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 44 2.849 -12.134 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.821 -11.352 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.954 -12.336 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.657 -15.329 -3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.409 -14.494 -4.803 1.00 0.00 H new ATOM 695 N LEU A 45 2.215 -9.051 -5.339 1.00 0.00 N ATOM 696 CA LEU A 45 1.608 -7.779 -5.696 1.00 0.00 C ATOM 697 C LEU A 45 1.915 -7.419 -7.159 1.00 0.00 C ATOM 698 O LEU A 45 2.994 -7.764 -7.661 1.00 0.00 O ATOM 699 CB LEU A 45 2.168 -6.682 -4.777 1.00 0.00 C ATOM 700 CG LEU A 45 1.839 -6.906 -3.289 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.841 -6.149 -2.430 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.421 -6.451 -2.960 1.00 0.00 C ATOM 0 H LEU A 45 2.864 -8.963 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 45 0.527 -7.859 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.250 -6.633 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.768 -5.717 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 45 1.904 -7.973 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.609 -6.307 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.847 -6.513 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.785 -5.085 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.220 -6.623 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.319 -5.389 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.291 -7.016 -3.561 1.00 0.00 H new ATOM 714 N PRO A 46 1.024 -6.687 -7.841 1.00 0.00 N ATOM 715 CA PRO A 46 1.312 -6.122 -9.147 1.00 0.00 C ATOM 716 C PRO A 46 2.296 -4.956 -9.056 1.00 0.00 C ATOM 717 O PRO A 46 2.511 -4.367 -7.992 1.00 0.00 O ATOM 718 CB PRO A 46 -0.044 -5.663 -9.710 1.00 0.00 C ATOM 719 CG PRO A 46 -1.005 -5.620 -8.525 1.00 0.00 C ATOM 720 CD PRO A 46 -0.289 -6.300 -7.365 1.00 0.00 C ATOM 0 HA PRO A 46 1.789 -6.857 -9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.041 -4.682 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.401 -6.352 -10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.264 -4.592 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.936 -6.134 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.206 -5.624 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.848 -7.172 -7.026 1.00 0.00 H new ATOM 728 N ALA A 47 2.849 -4.580 -10.208 1.00 0.00 N ATOM 729 CA ALA A 47 3.562 -3.323 -10.362 1.00 0.00 C ATOM 730 C ALA A 47 2.574 -2.182 -10.122 1.00 0.00 C ATOM 731 O ALA A 47 1.406 -2.325 -10.491 1.00 0.00 O ATOM 732 CB ALA A 47 4.162 -3.218 -11.767 1.00 0.00 C ATOM 0 H ALA A 47 2.813 -5.142 -11.059 1.00 0.00 H new ATOM 0 HA ALA A 47 4.380 -3.268 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.693 -2.271 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.857 -4.042 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.364 -3.266 -12.508 1.00 0.00 H new ATOM 738 N PRO A 48 2.998 -1.064 -9.518 1.00 0.00 N ATOM 739 CA PRO A 48 2.127 0.077 -9.282 1.00 0.00 C ATOM 740 C PRO A 48 1.779 0.796 -10.597 1.00 0.00 C ATOM 741 O PRO A 48 2.341 0.495 -11.657 1.00 0.00 O ATOM 742 CB PRO A 48 2.911 0.958 -8.308 1.00 0.00 C ATOM 743 CG PRO A 48 4.373 0.658 -8.614 1.00 0.00 C ATOM 744 CD PRO A 48 4.339 -0.814 -9.011 1.00 0.00 C ATOM 0 HA PRO A 48 1.160 -0.206 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.683 2.014 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.665 0.721 -7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.755 1.286 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.011 0.829 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.090 -1.030 -9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.558 -1.454 -8.156 1.00 0.00 H new ATOM 752 N ASP A 49 0.866 1.772 -10.536 1.00 0.00 N ATOM 753 CA ASP A 49 0.664 2.717 -11.634 1.00 0.00 C ATOM 754 C ASP A 49 1.773 3.766 -11.577 1.00 0.00 C ATOM 755 O ASP A 49 2.401 3.983 -10.536 1.00 0.00 O ATOM 756 CB ASP A 49 -0.712 3.408 -11.563 1.00 0.00 C ATOM 757 CG ASP A 49 -1.808 2.592 -12.248 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.412 1.693 -11.620 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.046 2.816 -13.459 1.00 0.00 O ATOM 0 H ASP A 49 0.255 1.926 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 49 0.696 2.166 -12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.981 3.570 -10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.647 4.390 -12.031 1.00 0.00 H new ATOM 764 N ALA A 50 1.979 4.464 -12.691 1.00 0.00 N ATOM 765 CA ALA A 50 2.917 5.565 -12.821 1.00 0.00 C ATOM 766 C ALA A 50 2.570 6.688 -11.835 1.00 0.00 C ATOM 767 O ALA A 50 1.599 7.424 -12.052 1.00 0.00 O ATOM 768 CB ALA A 50 2.858 6.069 -14.261 1.00 0.00 C ATOM 0 H ALA A 50 1.477 4.268 -13.557 1.00 0.00 H new ATOM 0 HA ALA A 50 3.927 5.228 -12.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.555 6.898 -14.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.130 5.261 -14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.847 6.408 -14.487 1.00 0.00 H new ATOM 774 N GLY A 51 3.375 6.858 -10.788 1.00 0.00 N ATOM 775 CA GLY A 51 3.215 7.874 -9.754 1.00 0.00 C ATOM 776 C GLY A 51 2.642 7.305 -8.466 1.00 0.00 C ATOM 777 O GLY A 51 2.006 8.053 -7.724 1.00 0.00 O ATOM 0 H GLY A 51 4.191 6.266 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.182 8.333 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.560 8.663 -10.122 1.00 0.00 H new ATOM 781 N SER A 52 2.778 6.001 -8.223 1.00 0.00 N ATOM 782 CA SER A 52 2.240 5.365 -7.036 1.00 0.00 C ATOM 783 C SER A 52 3.135 4.220 -6.578 1.00 0.00 C ATOM 784 O SER A 52 4.004 3.771 -7.334 1.00 0.00 O ATOM 785 CB SER A 52 0.796 4.943 -7.331 1.00 0.00 C ATOM 786 OG SER A 52 0.703 3.999 -8.383 1.00 0.00 O ATOM 0 H SER A 52 3.266 5.361 -8.849 1.00 0.00 H new ATOM 0 HA SER A 52 2.221 6.060 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.355 4.519 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.210 5.825 -7.588 1.00 0.00 H new ATOM 0 HG SER A 52 1.393 4.187 -9.053 1.00 0.00 H new ATOM 792 N HIS A 53 2.919 3.731 -5.357 1.00 0.00 N ATOM 793 CA HIS A 53 3.765 2.735 -4.726 1.00 0.00 C ATOM 794 C HIS A 53 3.002 1.958 -3.657 1.00 0.00 C ATOM 795 O HIS A 53 1.996 2.435 -3.127 1.00 0.00 O ATOM 796 CB HIS A 53 4.952 3.472 -4.119 1.00 0.00 C ATOM 797 CG HIS A 53 6.037 2.570 -3.611 1.00 0.00 C ATOM 798 ND1 HIS A 53 6.822 1.744 -4.383 1.00 0.00 N ATOM 799 CD2 HIS A 53 6.378 2.387 -2.300 1.00 0.00 C ATOM 800 CE1 HIS A 53 7.611 1.048 -3.548 1.00 0.00 C ATOM 801 NE2 HIS A 53 7.383 1.418 -2.281 1.00 0.00 N ATOM 0 H HIS A 53 2.136 4.025 -4.774 1.00 0.00 H new ATOM 0 HA HIS A 53 4.101 2.004 -5.461 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.372 4.142 -4.869 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.598 4.095 -3.298 1.00 0.00 H new ATOM 0 HD1 HIS A 53 6.807 1.673 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.953 2.893 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.326 0.298 -3.854 1.00 0.00 H new ATOM 809 N TRP A 54 3.477 0.751 -3.342 1.00 0.00 N ATOM 810 CA TRP A 54 2.879 -0.069 -2.299 1.00 0.00 C ATOM 811 C TRP A 54 3.482 0.321 -0.964 1.00 0.00 C ATOM 812 O TRP A 54 4.709 0.336 -0.835 1.00 0.00 O ATOM 813 CB TRP A 54 3.098 -1.561 -2.552 1.00 0.00 C ATOM 814 CG TRP A 54 2.345 -2.073 -3.742 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.819 -2.234 -5.000 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.929 -2.433 -3.796 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.806 -2.711 -5.807 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.607 -2.788 -5.134 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.123 -2.476 -2.853 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.694 -3.132 -5.520 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.438 -2.833 -3.223 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.720 -3.146 -4.562 1.00 0.00 C ATOM 0 H TRP A 54 4.280 0.322 -3.801 1.00 0.00 H new ATOM 0 HA TRP A 54 1.803 0.106 -2.297 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.162 -1.746 -2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.793 -2.122 -1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.828 -2.023 -5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.930 -2.975 -6.784 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.084 -2.229 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.907 -3.385 -6.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.222 -2.865 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.728 -3.398 -4.856 1.00 0.00 H new ATOM 833 N THR A 55 2.640 0.562 0.033 1.00 0.00 N ATOM 834 CA THR A 55 3.072 0.804 1.394 1.00 0.00 C ATOM 835 C THR A 55 2.368 -0.188 2.320 1.00 0.00 C ATOM 836 O THR A 55 1.319 -0.741 1.971 1.00 0.00 O ATOM 837 CB THR A 55 2.907 2.290 1.770 1.00 0.00 C ATOM 838 OG1 THR A 55 1.564 2.654 1.996 1.00 0.00 O ATOM 839 CG2 THR A 55 3.436 3.213 0.674 1.00 0.00 C ATOM 0 H THR A 55 1.628 0.594 -0.087 1.00 0.00 H new ATOM 0 HA THR A 55 4.141 0.621 1.505 1.00 0.00 H new ATOM 0 HB THR A 55 3.480 2.406 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.518 3.604 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.302 4.251 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.496 3.016 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.888 3.031 -0.251 1.00 0.00 H new ATOM 847 N TYR A 56 2.969 -0.484 3.473 1.00 0.00 N ATOM 848 CA TYR A 56 2.333 -1.305 4.494 1.00 0.00 C ATOM 849 C TYR A 56 1.358 -0.410 5.268 1.00 0.00 C ATOM 850 O TYR A 56 1.791 0.445 6.044 1.00 0.00 O ATOM 851 CB TYR A 56 3.391 -1.972 5.401 1.00 0.00 C ATOM 852 CG TYR A 56 3.234 -3.474 5.586 1.00 0.00 C ATOM 853 CD1 TYR A 56 1.960 -4.048 5.754 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.371 -4.306 5.593 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.813 -5.441 5.857 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.233 -5.701 5.722 1.00 0.00 C ATOM 857 CZ TYR A 56 2.947 -6.281 5.829 1.00 0.00 C ATOM 858 OH TYR A 56 2.785 -7.629 5.936 1.00 0.00 O ATOM 0 H TYR A 56 3.905 -0.162 3.721 1.00 0.00 H new ATOM 0 HA TYR A 56 1.775 -2.127 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.379 -1.775 4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.358 -1.496 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.088 -3.412 5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.355 -3.871 5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.828 -5.871 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.111 -6.330 5.739 1.00 0.00 H new ATOM 0 HH TYR A 56 3.661 -8.068 5.899 1.00 0.00 H new ATOM 868 N MET A 57 0.052 -0.564 5.037 1.00 0.00 N ATOM 869 CA MET A 57 -0.982 0.001 5.902 1.00 0.00 C ATOM 870 C MET A 57 -1.104 -0.876 7.164 1.00 0.00 C ATOM 871 O MET A 57 -0.165 -1.570 7.547 1.00 0.00 O ATOM 872 CB MET A 57 -2.308 0.181 5.131 1.00 0.00 C ATOM 873 CG MET A 57 -2.890 -1.147 4.647 1.00 0.00 C ATOM 874 SD MET A 57 -4.683 -1.267 4.496 1.00 0.00 S ATOM 875 CE MET A 57 -5.091 -1.363 6.249 1.00 0.00 C ATOM 0 H MET A 57 -0.317 -1.086 4.242 1.00 0.00 H new ATOM 0 HA MET A 57 -0.707 1.004 6.228 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.034 0.679 5.774 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.141 0.834 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.455 -1.369 3.672 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.557 -1.929 5.330 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.119 -1.706 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.417 -2.063 6.742 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.985 -0.377 6.702 1.00 0.00 H new ATOM 885 N GLY A 58 -2.284 -0.852 7.786 1.00 0.00 N ATOM 886 CA GLY A 58 -2.817 -1.649 8.879 1.00 0.00 C ATOM 887 C GLY A 58 -2.802 -3.137 8.586 1.00 0.00 C ATOM 888 O GLY A 58 -3.857 -3.758 8.515 1.00 0.00 O ATOM 0 H GLY A 58 -2.983 -0.172 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.236 -1.455 9.780 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.840 -1.335 9.086 1.00 0.00 H new ATOM 892 N GLY A 59 -1.616 -3.693 8.398 1.00 0.00 N ATOM 893 CA GLY A 59 -1.350 -5.095 8.237 1.00 0.00 C ATOM 894 C GLY A 59 -1.631 -5.633 6.843 1.00 0.00 C ATOM 895 O GLY A 59 -1.473 -6.831 6.608 1.00 0.00 O ATOM 0 H GLY A 59 -0.765 -3.132 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.305 -5.284 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.952 -5.651 8.956 1.00 0.00 H new ATOM 899 N ASN A 60 -1.950 -4.743 5.907 1.00 0.00 N ATOM 900 CA ASN A 60 -2.192 -5.040 4.507 1.00 0.00 C ATOM 901 C ASN A 60 -1.256 -4.154 3.701 1.00 0.00 C ATOM 902 O ASN A 60 -0.748 -3.156 4.216 1.00 0.00 O ATOM 903 CB ASN A 60 -3.658 -4.754 4.140 1.00 0.00 C ATOM 904 CG ASN A 60 -4.628 -5.249 5.210 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.698 -6.436 5.483 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.317 -4.343 5.883 1.00 0.00 N ATOM 0 H ASN A 60 -2.050 -3.750 6.119 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.007 -6.093 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.793 -3.682 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.893 -5.233 3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.924 -4.631 6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.241 -3.357 5.635 1.00 0.00 H new ATOM 913 N TYR A 61 -1.064 -4.450 2.425 1.00 0.00 N ATOM 914 CA TYR A 61 -0.331 -3.575 1.530 1.00 0.00 C ATOM 915 C TYR A 61 -1.366 -2.718 0.802 1.00 0.00 C ATOM 916 O TYR A 61 -2.322 -3.281 0.270 1.00 0.00 O ATOM 917 CB TYR A 61 0.485 -4.435 0.559 1.00 0.00 C ATOM 918 CG TYR A 61 1.472 -5.369 1.241 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.661 -4.850 1.791 1.00 0.00 C ATOM 920 CD2 TYR A 61 1.193 -6.749 1.353 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.598 -5.707 2.396 1.00 0.00 C ATOM 922 CE2 TYR A 61 2.126 -7.609 1.959 1.00 0.00 C ATOM 923 CZ TYR A 61 3.328 -7.093 2.490 1.00 0.00 C ATOM 924 OH TYR A 61 4.236 -7.938 3.059 1.00 0.00 O ATOM 0 H TYR A 61 -1.412 -5.301 1.984 1.00 0.00 H new ATOM 0 HA TYR A 61 0.367 -2.927 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.199 -5.027 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.030 -3.780 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.854 -3.788 1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.262 -7.144 0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.522 -5.308 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.922 -8.668 2.018 1.00 0.00 H new ATOM 0 HH TYR A 61 4.527 -7.573 3.921 1.00 0.00 H new ATOM 934 N VAL A 62 -1.204 -1.393 0.721 1.00 0.00 N ATOM 935 CA VAL A 62 -2.048 -0.559 -0.141 1.00 0.00 C ATOM 936 C VAL A 62 -1.180 0.139 -1.163 1.00 0.00 C ATOM 937 O VAL A 62 -0.019 0.443 -0.911 1.00 0.00 O ATOM 938 CB VAL A 62 -2.910 0.455 0.633 1.00 0.00 C ATOM 939 CG1 VAL A 62 -4.110 -0.237 1.294 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.058 1.272 1.609 1.00 0.00 C ATOM 0 H VAL A 62 -0.496 -0.875 1.242 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.756 -1.221 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.327 1.174 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.703 0.501 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.726 -0.707 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.754 -0.997 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.693 1.980 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.581 0.602 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.292 1.816 1.056 1.00 0.00 H new ATOM 950 N LEU A 63 -1.772 0.377 -2.322 1.00 0.00 N ATOM 951 CA LEU A 63 -1.207 1.159 -3.401 1.00 0.00 C ATOM 952 C LEU A 63 -1.721 2.576 -3.246 1.00 0.00 C ATOM 953 O LEU A 63 -2.934 2.795 -3.295 1.00 0.00 O ATOM 954 CB LEU A 63 -1.624 0.575 -4.751 1.00 0.00 C ATOM 955 CG LEU A 63 -1.108 1.406 -5.938 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.418 1.528 -5.948 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.573 0.740 -7.236 1.00 0.00 C ATOM 0 H LEU A 63 -2.699 0.013 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.118 1.145 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.247 -0.444 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.711 0.517 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.511 2.415 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.730 2.124 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.750 2.012 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.862 0.535 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.216 1.317 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.173 -0.272 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.662 0.701 -7.255 1.00 0.00 H new ATOM 969 N ILE A 64 -0.807 3.521 -3.063 1.00 0.00 N ATOM 970 CA ILE A 64 -1.100 4.926 -2.824 1.00 0.00 C ATOM 971 C ILE A 64 -0.250 5.767 -3.778 1.00 0.00 C ATOM 972 O ILE A 64 0.856 5.360 -4.130 1.00 0.00 O ATOM 973 CB ILE A 64 -0.880 5.253 -1.328 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.561 4.980 -0.838 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.903 4.501 -0.458 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.323 6.268 -0.531 1.00 0.00 C ATOM 0 H ILE A 64 0.193 3.322 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.143 5.163 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.033 6.327 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.526 4.359 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.100 4.414 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.735 4.742 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.912 4.800 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.788 3.427 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.329 6.023 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.383 6.879 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.801 6.822 0.249 1.00 0.00 H new ATOM 988 N THR A 65 -0.768 6.906 -4.242 1.00 0.00 N ATOM 989 CA THR A 65 -0.010 7.810 -5.109 1.00 0.00 C ATOM 990 C THR A 65 0.971 8.651 -4.314 1.00 0.00 C ATOM 991 O THR A 65 0.672 9.088 -3.205 1.00 0.00 O ATOM 992 CB THR A 65 -0.927 8.768 -5.882 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.094 9.040 -5.136 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.335 8.217 -7.240 1.00 0.00 C ATOM 0 H THR A 65 -1.713 7.225 -4.031 1.00 0.00 H new ATOM 0 HA THR A 65 0.525 7.169 -5.809 1.00 0.00 H new ATOM 0 HB THR A 65 -0.354 9.681 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.883 8.905 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.983 8.934 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.445 8.044 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.870 7.277 -7.105 1.00 0.00 H new ATOM 1002 N ASP A 66 2.045 9.048 -4.981 1.00 0.00 N ATOM 1003 CA ASP A 66 2.928 10.104 -4.477 1.00 0.00 C ATOM 1004 C ASP A 66 2.219 11.467 -4.457 1.00 0.00 C ATOM 1005 O ASP A 66 2.438 12.274 -3.551 1.00 0.00 O ATOM 1006 CB ASP A 66 4.224 10.198 -5.301 1.00 0.00 C ATOM 1007 CG ASP A 66 5.432 9.686 -4.516 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.811 10.315 -3.498 1.00 0.00 O ATOM 1009 OD2 ASP A 66 5.994 8.642 -4.901 1.00 0.00 O ATOM 0 H ASP A 66 2.332 8.656 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 66 3.190 9.835 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.115 9.620 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.394 11.234 -5.595 1.00 0.00 H new ATOM 1014 N THR A 67 1.338 11.740 -5.427 1.00 0.00 N ATOM 1015 CA THR A 67 0.730 13.053 -5.635 1.00 0.00 C ATOM 1016 C THR A 67 -0.538 13.236 -4.787 1.00 0.00 C ATOM 1017 O THR A 67 -1.079 14.345 -4.721 1.00 0.00 O ATOM 1018 CB THR A 67 0.526 13.287 -7.154 1.00 0.00 C ATOM 1019 OG1 THR A 67 0.004 14.575 -7.416 1.00 0.00 O ATOM 1020 CG2 THR A 67 -0.397 12.258 -7.823 1.00 0.00 C ATOM 0 H THR A 67 1.024 11.040 -6.099 1.00 0.00 H new ATOM 0 HA THR A 67 1.403 13.834 -5.280 1.00 0.00 H new ATOM 0 HB THR A 67 1.523 13.180 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.552 14.862 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.490 12.489 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.024 11.260 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.381 12.294 -7.356 1.00 0.00 H new ATOM 1028 N GLU A 68 -1.029 12.187 -4.112 1.00 0.00 N ATOM 1029 CA GLU A 68 -2.128 12.354 -3.162 1.00 0.00 C ATOM 1030 C GLU A 68 -2.199 11.302 -2.078 1.00 0.00 C ATOM 1031 O GLU A 68 -2.572 11.609 -0.950 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.490 12.467 -3.864 1.00 0.00 C ATOM 1033 CG GLU A 68 -3.834 11.493 -4.996 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.146 11.791 -5.740 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.701 12.911 -5.650 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.626 10.879 -6.450 1.00 0.00 O ATOM 0 H GLU A 68 -0.687 11.231 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.896 13.295 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.261 12.367 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.568 13.477 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.017 11.496 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.890 10.486 -4.583 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.861 10.067 -2.396 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.048 8.961 -1.491 1.00 0.00 C ATOM 1045 C GLY A 69 -3.425 8.323 -1.615 1.00 0.00 C ATOM 1046 O GLY A 69 -3.887 7.667 -0.679 1.00 0.00 O ATOM 0 H GLY A 69 -1.449 9.807 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.285 8.207 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.904 9.307 -0.467 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.112 8.527 -2.746 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.400 7.886 -2.961 1.00 0.00 C ATOM 1052 C LYS A 70 -5.208 6.380 -2.957 1.00 0.00 C ATOM 1053 O LYS A 70 -4.296 5.885 -3.620 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.060 8.360 -4.259 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.246 9.309 -4.023 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.558 8.777 -4.593 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.534 8.470 -6.098 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.141 9.628 -6.931 1.00 0.00 N ATOM 0 H LYS A 70 -3.797 9.123 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.074 8.167 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.315 8.865 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.404 7.492 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.363 9.476 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.026 10.276 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.828 7.868 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.344 9.507 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.842 7.649 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.522 8.129 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.096 9.339 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.843 10.388 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.208 9.973 -6.628 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.061 5.703 -2.203 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.126 4.278 -1.948 1.00 0.00 C ATOM 1074 C ILE A 71 -6.579 3.616 -3.250 1.00 0.00 C ATOM 1075 O ILE A 71 -7.767 3.358 -3.453 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.071 4.062 -0.735 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.506 4.829 0.487 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.261 2.581 -0.371 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.368 4.789 1.741 1.00 0.00 C ATOM 0 H ILE A 71 -6.802 6.194 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.174 3.823 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.053 4.443 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.525 4.420 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.357 5.871 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.932 2.500 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.690 2.050 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.296 2.142 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.882 5.356 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.343 5.228 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.498 3.755 2.060 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.629 3.387 -4.162 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.912 2.795 -5.466 1.00 0.00 C ATOM 1093 C LEU A 72 -6.335 1.354 -5.268 1.00 0.00 C ATOM 1094 O LEU A 72 -7.346 0.922 -5.822 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.702 2.833 -6.424 1.00 0.00 C ATOM 1096 CG LEU A 72 -4.216 4.238 -6.799 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -3.047 4.243 -7.799 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.380 5.065 -7.371 1.00 0.00 C ATOM 0 H LEU A 72 -4.644 3.608 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.705 3.387 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.876 2.290 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.964 2.300 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.844 4.684 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.758 5.271 -8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.198 3.711 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.355 3.750 -8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.024 6.061 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.773 4.573 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.169 5.147 -6.624 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.537 0.610 -4.500 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.758 -0.782 -4.183 1.00 0.00 C ATOM 1112 C LYS A 73 -5.272 -1.030 -2.763 1.00 0.00 C ATOM 1113 O LYS A 73 -4.527 -0.240 -2.187 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.005 -1.686 -5.178 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.586 -1.670 -6.600 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.931 -2.740 -7.485 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.608 -2.300 -8.128 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.821 -1.399 -9.280 1.00 0.00 N ATOM 0 H LYS A 73 -4.691 0.984 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.819 -1.018 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.962 -1.373 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.016 -2.710 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.662 -1.840 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.436 -0.686 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.752 -3.632 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.629 -3.021 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.994 -1.795 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.054 -3.180 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.902 -1.127 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.385 -1.888 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.326 -0.546 -8.965 1.00 0.00 H new ATOM 1132 N VAL A 74 -5.641 -2.191 -2.270 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.256 -2.950 -1.099 1.00 0.00 C ATOM 1134 C VAL A 74 -5.048 -4.367 -1.594 1.00 0.00 C ATOM 1135 O VAL A 74 -5.717 -4.770 -2.546 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.317 -2.807 0.026 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -7.699 -2.841 -0.545 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.173 -3.835 1.155 1.00 0.00 C ATOM 0 H VAL A 74 -6.350 -2.718 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.338 -2.590 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.135 -1.835 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.428 -2.739 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.821 -2.020 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.857 -3.789 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.951 -3.668 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.272 -4.841 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.194 -3.728 1.622 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.148 -5.089 -0.942 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.184 -6.532 -0.826 1.00 0.00 C ATOM 1150 C TYR A 75 -3.759 -6.864 0.609 1.00 0.00 C ATOM 1151 O TYR A 75 -2.755 -6.312 1.070 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.280 -7.180 -1.881 1.00 0.00 C ATOM 1153 CG TYR A 75 -3.701 -6.951 -3.330 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.899 -7.503 -3.820 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -2.914 -6.173 -4.199 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.306 -7.284 -5.144 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.312 -5.956 -5.532 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.525 -6.492 -6.007 1.00 0.00 C ATOM 1159 OH TYR A 75 -4.934 -6.239 -7.282 1.00 0.00 O ATOM 0 H TYR A 75 -3.349 -4.670 -0.466 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.181 -6.931 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.267 -6.800 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.245 -8.254 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.514 -8.104 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.994 -5.737 -3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.224 -7.725 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.685 -5.376 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.271 -5.675 -7.732 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.516 -7.708 1.325 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.127 -8.204 2.659 1.00 0.00 C ATOM 1171 C ASP A 76 -2.717 -8.794 2.594 1.00 0.00 C ATOM 1172 O ASP A 76 -2.340 -9.357 1.565 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.138 -9.226 3.213 1.00 0.00 C ATOM 1174 CG ASP A 76 -4.838 -9.676 4.657 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -3.768 -10.254 4.937 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -5.666 -9.442 5.558 1.00 0.00 O ATOM 0 H ASP A 76 -5.413 -8.067 0.999 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.129 -7.363 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.137 -8.791 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.148 -10.102 2.564 1.00 0.00 H new ATOM 1181 N GLY A 77 -1.936 -8.666 3.671 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.608 -9.248 3.792 1.00 0.00 C ATOM 1183 C GLY A 77 -0.569 -10.744 3.446 1.00 0.00 C ATOM 1184 O GLY A 77 0.460 -11.207 2.959 1.00 0.00 O ATOM 0 H GLY A 77 -2.222 -8.142 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.078 -8.712 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.249 -9.108 4.811 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.672 -11.486 3.606 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.828 -12.891 3.230 1.00 0.00 C ATOM 1190 C GLU A 78 -1.486 -13.137 1.752 1.00 0.00 C ATOM 1191 O GLU A 78 -1.071 -14.246 1.404 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.269 -13.363 3.507 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.565 -13.622 4.992 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.988 -14.156 5.222 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -5.970 -13.676 4.607 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.161 -15.071 6.062 1.00 0.00 O ATOM 0 H GLU A 78 -2.520 -11.101 4.022 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.127 -13.463 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.965 -12.612 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.456 -14.278 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.843 -14.339 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.432 -12.697 5.553 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.593 -12.124 0.882 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.236 -12.232 -0.528 1.00 0.00 C ATOM 1205 C ILE A 79 0.213 -12.702 -0.693 1.00 0.00 C ATOM 1206 O ILE A 79 0.518 -13.427 -1.640 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.493 -10.884 -1.240 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.457 -11.114 -2.763 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.478 -9.789 -0.831 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.856 -9.895 -3.592 1.00 0.00 C ATOM 0 H ILE A 79 -1.934 -11.200 1.146 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.867 -12.986 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.474 -10.520 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.451 -11.420 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.123 -11.941 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.707 -8.865 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.542 -9.616 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.531 -10.114 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.804 -10.143 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.874 -9.600 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.175 -9.071 -3.378 1.00 0.00 H new ATOM 1222 N PHE A 80 1.096 -12.313 0.234 1.00 0.00 N ATOM 1223 CA PHE A 80 2.533 -12.557 0.217 1.00 0.00 C ATOM 1224 C PHE A 80 2.874 -14.057 0.235 1.00 0.00 C ATOM 1225 O PHE A 80 4.018 -14.424 -0.044 1.00 0.00 O ATOM 1226 CB PHE A 80 3.139 -11.815 1.424 1.00 0.00 C ATOM 1227 CG PHE A 80 4.596 -12.100 1.725 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.589 -11.987 0.733 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.936 -12.606 2.992 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.873 -12.498 0.980 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.232 -13.070 3.253 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.199 -13.040 2.236 1.00 0.00 C ATOM 0 H PHE A 80 0.805 -11.791 1.060 1.00 0.00 H new ATOM 0 HA PHE A 80 2.960 -12.181 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.027 -10.744 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.552 -12.064 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.365 -11.511 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.190 -12.637 3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.618 -12.475 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.486 -13.449 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.189 -13.431 2.417 1.00 0.00 H new ATOM 1242 N TYR A 81 1.916 -14.940 0.534 1.00 0.00 N ATOM 1243 CA TYR A 81 2.150 -16.376 0.636 1.00 0.00 C ATOM 1244 C TYR A 81 1.544 -17.163 -0.525 1.00 0.00 C ATOM 1245 O TYR A 81 1.867 -18.342 -0.675 1.00 0.00 O ATOM 1246 CB TYR A 81 1.653 -16.882 1.988 1.00 0.00 C ATOM 1247 CG TYR A 81 2.229 -16.130 3.168 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.445 -16.537 3.740 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.571 -14.991 3.661 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.998 -15.817 4.811 1.00 0.00 C ATOM 1251 CE2 TYR A 81 2.122 -14.254 4.718 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.331 -14.675 5.315 1.00 0.00 C ATOM 1253 OH TYR A 81 3.873 -13.953 6.336 1.00 0.00 O ATOM 0 H TYR A 81 0.949 -14.671 0.713 1.00 0.00 H new ATOM 0 HA TYR A 81 3.225 -16.544 0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.566 -16.808 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.903 -17.939 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.957 -17.407 3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.634 -14.681 3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.932 -16.135 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.623 -13.365 5.076 1.00 0.00 H new ATOM 0 HH TYR A 81 3.283 -13.202 6.555 1.00 0.00 H new ATOM 1263 N HIS A 82 0.745 -16.525 -1.381 1.00 0.00 N ATOM 1264 CA HIS A 82 0.021 -17.123 -2.504 1.00 0.00 C ATOM 1265 C HIS A 82 0.950 -17.300 -3.732 1.00 0.00 C ATOM 1266 O HIS A 82 0.563 -17.006 -4.866 1.00 0.00 O ATOM 1267 CB HIS A 82 -1.191 -16.200 -2.760 1.00 0.00 C ATOM 1268 CG HIS A 82 -2.353 -16.814 -3.502 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -3.522 -17.238 -2.914 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -2.507 -16.957 -4.856 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -4.354 -17.640 -3.886 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -3.768 -17.511 -5.089 1.00 0.00 N ATOM 0 H HIS A 82 0.576 -15.522 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.329 -18.132 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.553 -15.836 -1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.847 -15.331 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.782 -16.689 -5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.354 -18.015 -3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.165 -17.767 -5.993 1.00 0.00 H new ATOM 1280 N ARG A 83 2.235 -17.603 -3.506 1.00 0.00 N ATOM 1281 CA ARG A 83 3.348 -17.347 -4.413 1.00 0.00 C ATOM 1282 C ARG A 83 3.508 -18.456 -5.425 1.00 0.00 C ATOM 1283 O ARG A 83 3.091 -18.240 -6.580 1.00 0.00 O ATOM 1284 CB ARG A 83 4.593 -17.074 -3.552 1.00 0.00 C ATOM 1285 CG ARG A 83 5.647 -16.207 -4.235 1.00 0.00 C ATOM 1286 CD ARG A 83 6.464 -16.945 -5.303 1.00 0.00 C ATOM 1287 NE ARG A 83 7.719 -16.240 -5.625 1.00 0.00 N ATOM 1288 CZ ARG A 83 8.812 -16.177 -4.851 1.00 0.00 C ATOM 1289 NH1 ARG A 83 8.854 -16.703 -3.633 1.00 0.00 N ATOM 1290 NH2 ARG A 83 9.913 -15.579 -5.283 1.00 0.00 N ATOM 0 H ARG A 83 2.535 -18.055 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 83 3.165 -16.466 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.282 -16.588 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.046 -18.026 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.155 -15.350 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.327 -15.815 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.693 -17.951 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.866 -17.051 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 83 7.759 -15.755 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.034 -17.177 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.706 -16.633 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.935 -15.161 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.739 -15.537 -4.685 1.00 0.00 H new