USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 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 37 LYS NZ :NH3+ -164:sc= 0.289 (180deg=-0.772) USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -2.66! F(o=-6.5,f=-2.4!) USER MOD Set 2.1: A 40 HIS :FLIP no HD1:sc= 0.278 F(o=0,f=0.64) USER MOD Set 2.2: A 74 SER OG : rot 122:sc= 0.363 USER MOD Set 3.1: A 2 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 21 TYR OH : rot 113:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc=-0.00468 (180deg=-0.156) USER MOD Single : A 7 MET CE :methyl -123:sc= -1.32 (180deg=-2.57!) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0412 (180deg=-0.651) USER MOD Single : A 12 ASN : amide:sc= -0.468! X(o=-0.47!,f=-0.94) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.0863 (180deg=-0.248) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.579 F(o=-2.8!,f=-0.58) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 45 CYS SG : rot 30:sc= -0.659! USER MOD Single : A 47 GLN :FLIP amide:sc= -3.34! C(o=-6.3!,f=-3.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.48! C(o=-9.5!,f=-0.48!) USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= -0.24 (180deg=-1.4!) USER MOD Single : A 68 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.58) USER MOD Single : A 70 THR OG1 : rot 117:sc= -5.26! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.333 USER MOD Single : A 80 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -165:sc= -3.85! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= -2.29 (180deg=-7.02!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= 0.933 (180deg=-0.465!) USER MOD Single : A 103 THR OG1 : rot -143:sc= -0.355! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.377! USER MOD Single : A 110 ASN :FLIP amide:sc= -11.3! C(o=-19!,f=-11!) USER MOD Single : A 111 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.57) USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= -0.378 (180deg=-0.483) USER MOD Single : A 118 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.176 -9.559 84.000 1.00 0.00 N ATOM 2 CA MET A 1 -12.799 -10.167 85.309 1.00 0.00 C ATOM 3 C MET A 1 -11.763 -11.272 85.083 1.00 0.00 C ATOM 4 O MET A 1 -12.048 -12.443 85.232 1.00 0.00 O ATOM 5 CB MET A 1 -14.046 -10.759 85.978 1.00 0.00 C ATOM 6 CG MET A 1 -13.752 -11.051 87.451 1.00 0.00 C ATOM 7 SD MET A 1 -15.237 -11.732 88.231 1.00 0.00 S ATOM 8 CE MET A 1 -14.444 -12.341 89.739 1.00 0.00 C ATOM 0 H1 MET A 1 -13.879 -8.809 84.155 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.331 -9.153 83.549 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.581 -10.290 83.381 1.00 0.00 H new ATOM 0 HA MET A 1 -12.372 -9.400 85.955 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.880 -10.062 85.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.344 -11.675 85.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.926 -11.757 87.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.445 -10.138 87.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.191 -12.809 90.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.680 -13.073 89.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.982 -11.508 90.269 1.00 0.00 H new ATOM 20 N CYS A 2 -10.561 -10.907 84.730 1.00 0.00 N ATOM 21 CA CYS A 2 -9.502 -11.933 84.500 1.00 0.00 C ATOM 22 C CYS A 2 -8.128 -11.265 84.562 1.00 0.00 C ATOM 23 O CYS A 2 -7.261 -11.678 85.301 1.00 0.00 O ATOM 24 CB CYS A 2 -9.689 -12.566 83.122 1.00 0.00 C ATOM 25 SG CYS A 2 -8.631 -14.032 82.988 1.00 0.00 S ATOM 0 H CYS A 2 -10.265 -9.941 84.590 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.574 -12.704 85.267 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.733 -12.842 82.975 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.436 -11.848 82.342 1.00 0.00 H new ATOM 0 HG CYS A 2 -8.788 -14.575 81.817 1.00 0.00 H new ATOM 31 N ASP A 3 -7.927 -10.234 83.788 1.00 0.00 N ATOM 32 CA ASP A 3 -6.611 -9.533 83.796 1.00 0.00 C ATOM 33 C ASP A 3 -6.238 -9.156 85.227 1.00 0.00 C ATOM 34 O ASP A 3 -5.157 -9.444 85.698 1.00 0.00 O ATOM 35 CB ASP A 3 -6.712 -8.261 82.952 1.00 0.00 C ATOM 36 CG ASP A 3 -8.050 -7.570 83.234 1.00 0.00 C ATOM 37 OD1 ASP A 3 -9.075 -8.150 82.912 1.00 0.00 O ATOM 38 OD2 ASP A 3 -8.027 -6.473 83.766 1.00 0.00 O ATOM 0 H ASP A 3 -8.620 -9.845 83.148 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.848 -10.193 83.383 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.886 -7.589 83.186 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.633 -8.506 81.893 1.00 0.00 H new ATOM 43 N LYS A 4 -7.125 -8.504 85.913 1.00 0.00 N ATOM 44 CA LYS A 4 -6.844 -8.092 87.313 1.00 0.00 C ATOM 45 C LYS A 4 -6.263 -9.274 88.089 1.00 0.00 C ATOM 46 O LYS A 4 -5.126 -9.252 88.518 1.00 0.00 O ATOM 47 CB LYS A 4 -8.150 -7.640 87.968 1.00 0.00 C ATOM 48 CG LYS A 4 -8.746 -6.484 87.163 1.00 0.00 C ATOM 49 CD LYS A 4 -9.937 -5.903 87.918 1.00 0.00 C ATOM 50 CE LYS A 4 -10.481 -4.693 87.158 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.158 -5.154 85.911 1.00 0.00 N ATOM 0 H LYS A 4 -8.044 -8.235 85.562 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.125 -7.273 87.320 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.855 -8.470 88.011 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.965 -7.326 88.995 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.993 -5.713 87.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.060 -6.835 86.180 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.716 -6.658 88.027 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.636 -5.609 88.923 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.183 -4.142 87.784 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.669 -4.009 86.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.700 -4.368 85.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.444 -5.478 85.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.803 -5.939 86.136 1.00 0.00 H new ATOM 65 N GLU A 5 -7.039 -10.304 88.270 1.00 0.00 N ATOM 66 CA GLU A 5 -6.552 -11.496 89.019 1.00 0.00 C ATOM 67 C GLU A 5 -5.145 -11.881 88.551 1.00 0.00 C ATOM 68 O GLU A 5 -4.294 -12.232 89.343 1.00 0.00 O ATOM 69 CB GLU A 5 -7.511 -12.663 88.766 1.00 0.00 C ATOM 70 CG GLU A 5 -7.209 -13.802 89.740 1.00 0.00 C ATOM 71 CD GLU A 5 -7.972 -15.054 89.305 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.423 -15.819 88.529 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.096 -15.222 89.750 1.00 0.00 O ATOM 0 H GLU A 5 -7.998 -10.373 87.929 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.514 -11.263 90.083 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.542 -12.331 88.888 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.409 -13.014 87.739 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.138 -14.004 89.761 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.500 -13.518 90.751 1.00 0.00 H new ATOM 80 N PHE A 6 -4.898 -11.826 87.273 1.00 0.00 N ATOM 81 CA PHE A 6 -3.551 -12.198 86.750 1.00 0.00 C ATOM 82 C PHE A 6 -2.503 -11.194 87.236 1.00 0.00 C ATOM 83 O PHE A 6 -1.580 -11.547 87.943 1.00 0.00 O ATOM 84 CB PHE A 6 -3.592 -12.211 85.214 1.00 0.00 C ATOM 85 CG PHE A 6 -2.191 -12.321 84.651 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.364 -13.389 85.023 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.725 -11.359 83.747 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.070 -13.491 84.496 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.433 -11.460 83.218 1.00 0.00 C ATOM 90 CZ PHE A 6 0.394 -12.527 83.592 1.00 0.00 C ATOM 0 H PHE A 6 -5.572 -11.539 86.564 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.281 -13.188 87.116 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.197 -13.048 84.867 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.068 -11.301 84.849 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.724 -14.134 85.717 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.363 -10.538 83.457 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.569 -14.312 84.786 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.074 -10.716 82.522 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.390 -12.606 83.183 1.00 0.00 H new ATOM 100 N MET A 7 -2.623 -9.952 86.855 1.00 0.00 N ATOM 101 CA MET A 7 -1.610 -8.947 87.288 1.00 0.00 C ATOM 102 C MET A 7 -1.665 -8.744 88.808 1.00 0.00 C ATOM 103 O MET A 7 -0.645 -8.666 89.469 1.00 0.00 O ATOM 104 CB MET A 7 -1.853 -7.613 86.563 1.00 0.00 C ATOM 105 CG MET A 7 -2.867 -6.760 87.325 1.00 0.00 C ATOM 106 SD MET A 7 -3.363 -5.354 86.296 1.00 0.00 S ATOM 107 CE MET A 7 -4.240 -6.285 85.018 1.00 0.00 C ATOM 0 H MET A 7 -3.373 -9.591 86.266 1.00 0.00 H new ATOM 0 HA MET A 7 -0.618 -9.317 87.028 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.913 -7.070 86.466 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.216 -7.803 85.553 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.739 -7.359 87.587 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.432 -6.406 88.259 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.803 -6.066 84.044 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.155 -7.352 85.222 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.292 -5.998 85.016 1.00 0.00 H new ATOM 117 N TRP A 8 -2.839 -8.636 89.371 1.00 0.00 N ATOM 118 CA TRP A 8 -2.940 -8.409 90.845 1.00 0.00 C ATOM 119 C TRP A 8 -2.089 -9.418 91.618 1.00 0.00 C ATOM 120 O TRP A 8 -1.882 -9.278 92.808 1.00 0.00 O ATOM 121 CB TRP A 8 -4.397 -8.548 91.287 1.00 0.00 C ATOM 122 CG TRP A 8 -4.561 -7.898 92.623 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.415 -8.518 93.818 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.891 -6.510 92.917 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.633 -7.595 94.827 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.932 -6.344 94.321 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.158 -5.390 92.105 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.223 -5.108 94.903 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.454 -4.143 92.686 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.488 -4.004 94.083 1.00 0.00 C ATOM 0 H TRP A 8 -3.730 -8.695 88.878 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.574 -7.405 91.058 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.059 -8.082 90.557 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.675 -9.600 91.343 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.169 -9.560 93.961 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.579 -7.812 95.822 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.135 -5.489 91.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.244 -5.004 95.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.656 -3.290 92.055 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.718 -3.046 94.525 1.00 0.00 H new ATOM 141 N ALA A 9 -1.610 -10.440 90.967 1.00 0.00 N ATOM 142 CA ALA A 9 -0.795 -11.461 91.686 1.00 0.00 C ATOM 143 C ALA A 9 0.690 -11.066 91.696 1.00 0.00 C ATOM 144 O ALA A 9 1.333 -11.068 92.728 1.00 0.00 O ATOM 145 CB ALA A 9 -0.964 -12.821 91.006 1.00 0.00 C ATOM 0 H ALA A 9 -1.746 -10.614 89.971 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.142 -11.520 92.718 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.368 -13.567 91.532 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.014 -13.112 91.031 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.630 -12.754 89.971 1.00 0.00 H new ATOM 151 N LEU A 10 1.237 -10.726 90.562 1.00 0.00 N ATOM 152 CA LEU A 10 2.676 -10.329 90.511 1.00 0.00 C ATOM 153 C LEU A 10 2.879 -9.121 91.420 1.00 0.00 C ATOM 154 O LEU A 10 3.971 -8.610 91.582 1.00 0.00 O ATOM 155 CB LEU A 10 3.045 -9.933 89.075 1.00 0.00 C ATOM 156 CG LEU A 10 2.791 -11.109 88.115 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.445 -10.929 87.403 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.899 -11.159 87.059 1.00 0.00 C ATOM 0 H LEU A 10 0.750 -10.705 89.666 1.00 0.00 H new ATOM 0 HA LEU A 10 3.302 -11.161 90.835 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.457 -9.069 88.766 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.093 -9.638 89.030 1.00 0.00 H new ATOM 0 HG LEU A 10 2.779 -12.033 88.692 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.276 -11.767 86.727 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.645 -10.892 88.142 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.456 -10.000 86.834 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.717 -11.992 86.380 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.906 -10.226 86.495 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.863 -11.294 87.549 1.00 0.00 H new ATOM 170 N LYS A 11 1.802 -8.648 91.968 1.00 0.00 N ATOM 171 CA LYS A 11 1.832 -7.438 92.832 1.00 0.00 C ATOM 172 C LYS A 11 2.065 -7.780 94.309 1.00 0.00 C ATOM 173 O LYS A 11 3.105 -7.496 94.870 1.00 0.00 O ATOM 174 CB LYS A 11 0.471 -6.768 92.689 1.00 0.00 C ATOM 175 CG LYS A 11 0.316 -5.653 93.712 1.00 0.00 C ATOM 176 CD LYS A 11 -0.936 -4.857 93.359 1.00 0.00 C ATOM 177 CE LYS A 11 -1.326 -3.966 94.532 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.101 -3.344 95.105 1.00 0.00 N ATOM 0 H LYS A 11 0.876 -9.059 91.851 1.00 0.00 H new ATOM 0 HA LYS A 11 2.654 -6.794 92.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.362 -6.364 91.683 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.320 -7.506 92.824 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.233 -6.067 94.717 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.193 -5.006 93.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.754 -4.249 92.473 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.754 -5.536 93.118 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.020 -3.193 94.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.841 -4.552 95.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.363 -2.493 95.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.369 -4.022 95.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.547 -3.081 94.335 1.00 0.00 H new ATOM 192 N ASN A 12 1.072 -8.329 94.949 1.00 0.00 N ATOM 193 CA ASN A 12 1.179 -8.633 96.403 1.00 0.00 C ATOM 194 C ASN A 12 1.878 -9.971 96.647 1.00 0.00 C ATOM 195 O ASN A 12 1.825 -10.514 97.735 1.00 0.00 O ATOM 196 CB ASN A 12 -0.234 -8.679 96.981 1.00 0.00 C ATOM 197 CG ASN A 12 -0.181 -8.476 98.495 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.425 -7.388 98.983 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.135 -9.480 99.265 1.00 0.00 N ATOM 0 H ASN A 12 0.181 -8.583 94.522 1.00 0.00 H new ATOM 0 HA ASN A 12 1.775 -7.859 96.887 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.850 -7.905 96.522 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.701 -9.636 96.749 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.178 -9.353 100.276 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.339 -10.392 98.856 1.00 0.00 H new ATOM 206 N GLY A 13 2.545 -10.503 95.665 1.00 0.00 N ATOM 207 CA GLY A 13 3.252 -11.788 95.874 1.00 0.00 C ATOM 208 C GLY A 13 2.258 -12.945 95.910 1.00 0.00 C ATOM 209 O GLY A 13 2.545 -13.996 96.448 1.00 0.00 O ATOM 0 H GLY A 13 2.630 -10.104 94.730 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.975 -11.947 95.074 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.813 -11.754 96.808 1.00 0.00 H new ATOM 213 N ASP A 14 1.100 -12.781 95.329 1.00 0.00 N ATOM 214 CA ASP A 14 0.131 -13.904 95.316 1.00 0.00 C ATOM 215 C ASP A 14 0.690 -14.955 94.377 1.00 0.00 C ATOM 216 O ASP A 14 0.054 -15.405 93.444 1.00 0.00 O ATOM 217 CB ASP A 14 -1.223 -13.433 94.818 1.00 0.00 C ATOM 218 CG ASP A 14 -1.454 -11.987 95.253 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.613 -11.157 94.947 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.461 -11.736 95.890 1.00 0.00 O ATOM 0 H ASP A 14 0.789 -11.926 94.868 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.008 -14.304 96.320 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.269 -13.508 93.732 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.011 -14.073 95.215 1.00 0.00 H new ATOM 225 N LEU A 15 1.903 -15.308 94.632 1.00 0.00 N ATOM 226 CA LEU A 15 2.626 -16.298 93.810 1.00 0.00 C ATOM 227 C LEU A 15 1.725 -17.505 93.525 1.00 0.00 C ATOM 228 O LEU A 15 1.852 -18.170 92.517 1.00 0.00 O ATOM 229 CB LEU A 15 3.882 -16.696 94.602 1.00 0.00 C ATOM 230 CG LEU A 15 4.737 -17.718 93.854 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.111 -19.110 93.963 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.871 -17.314 92.387 1.00 0.00 C ATOM 0 H LEU A 15 2.448 -14.936 95.410 1.00 0.00 H new ATOM 0 HA LEU A 15 2.911 -15.887 92.841 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.478 -15.806 94.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.586 -17.109 95.566 1.00 0.00 H new ATOM 0 HG LEU A 15 5.729 -17.745 94.304 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.729 -19.830 93.426 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.046 -19.399 95.012 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.112 -19.095 93.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.482 -18.048 91.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.882 -17.271 91.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.344 -16.334 92.321 1.00 0.00 H new ATOM 244 N ASP A 16 0.812 -17.784 94.401 1.00 0.00 N ATOM 245 CA ASP A 16 -0.105 -18.931 94.196 1.00 0.00 C ATOM 246 C ASP A 16 -1.037 -18.655 93.008 1.00 0.00 C ATOM 247 O ASP A 16 -1.468 -19.561 92.318 1.00 0.00 O ATOM 248 CB ASP A 16 -0.932 -19.112 95.467 1.00 0.00 C ATOM 249 CG ASP A 16 0.003 -19.373 96.651 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.993 -20.056 96.458 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.290 -18.883 97.731 1.00 0.00 O ATOM 0 H ASP A 16 0.659 -17.260 95.263 1.00 0.00 H new ATOM 0 HA ASP A 16 0.468 -19.833 93.984 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.532 -18.221 95.653 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.626 -19.944 95.347 1.00 0.00 H new ATOM 256 N GLU A 17 -1.367 -17.412 92.778 1.00 0.00 N ATOM 257 CA GLU A 17 -2.291 -17.072 91.652 1.00 0.00 C ATOM 258 C GLU A 17 -1.546 -17.096 90.306 1.00 0.00 C ATOM 259 O GLU A 17 -2.042 -17.636 89.335 1.00 0.00 O ATOM 260 CB GLU A 17 -2.887 -15.682 91.883 1.00 0.00 C ATOM 261 CG GLU A 17 -3.974 -15.757 92.960 1.00 0.00 C ATOM 262 CD GLU A 17 -5.261 -16.331 92.363 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.237 -16.713 91.205 1.00 0.00 O ATOM 264 OE2 GLU A 17 -6.251 -16.374 93.075 1.00 0.00 O ATOM 0 H GLU A 17 -1.037 -16.614 93.321 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.087 -17.816 91.620 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.105 -14.987 92.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.308 -15.298 90.954 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.636 -16.382 93.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.163 -14.764 93.368 1.00 0.00 H new ATOM 271 N VAL A 18 -0.363 -16.534 90.227 1.00 0.00 N ATOM 272 CA VAL A 18 0.382 -16.564 88.922 1.00 0.00 C ATOM 273 C VAL A 18 0.705 -18.017 88.612 1.00 0.00 C ATOM 274 O VAL A 18 0.665 -18.459 87.479 1.00 0.00 O ATOM 275 CB VAL A 18 1.721 -15.805 89.034 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.667 -14.478 88.272 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.044 -15.540 90.504 1.00 0.00 C ATOM 0 H VAL A 18 0.115 -16.062 90.995 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.230 -16.099 88.150 1.00 0.00 H new ATOM 0 HB VAL A 18 2.502 -16.424 88.592 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.624 -13.964 88.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.463 -14.671 87.219 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.876 -13.853 88.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.990 -15.004 90.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.251 -14.939 90.948 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.122 -16.488 91.036 1.00 0.00 H new ATOM 287 N LYS A 19 1.037 -18.749 89.632 1.00 0.00 N ATOM 288 CA LYS A 19 1.385 -20.181 89.469 1.00 0.00 C ATOM 289 C LYS A 19 0.268 -20.896 88.708 1.00 0.00 C ATOM 290 O LYS A 19 0.502 -21.820 87.957 1.00 0.00 O ATOM 291 CB LYS A 19 1.551 -20.792 90.862 1.00 0.00 C ATOM 292 CG LYS A 19 2.104 -22.212 90.756 1.00 0.00 C ATOM 293 CD LYS A 19 2.831 -22.565 92.059 1.00 0.00 C ATOM 294 CE LYS A 19 4.267 -22.034 92.013 1.00 0.00 C ATOM 295 NZ LYS A 19 5.181 -23.124 91.575 1.00 0.00 N ATOM 0 H LYS A 19 1.083 -18.407 90.592 1.00 0.00 H new ATOM 0 HA LYS A 19 2.311 -20.288 88.904 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.224 -20.176 91.459 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.591 -20.806 91.377 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.294 -22.918 90.574 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.789 -22.287 89.911 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.302 -22.135 92.909 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.838 -23.646 92.201 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.333 -21.190 91.326 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.563 -21.668 92.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.999 -22.714 91.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.510 -23.656 92.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.674 -23.765 90.932 1.00 0.00 H new ATOM 309 N ASP A 20 -0.941 -20.464 88.898 1.00 0.00 N ATOM 310 CA ASP A 20 -2.089 -21.098 88.197 1.00 0.00 C ATOM 311 C ASP A 20 -2.033 -20.771 86.696 1.00 0.00 C ATOM 312 O ASP A 20 -2.143 -21.642 85.850 1.00 0.00 O ATOM 313 CB ASP A 20 -3.390 -20.557 88.795 1.00 0.00 C ATOM 314 CG ASP A 20 -4.578 -21.335 88.228 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.519 -22.552 88.235 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.531 -20.698 87.808 1.00 0.00 O ATOM 0 H ASP A 20 -1.188 -19.690 89.515 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.044 -22.180 88.322 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.368 -20.648 89.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.494 -19.497 88.566 1.00 0.00 H new ATOM 321 N TYR A 21 -1.880 -19.520 86.363 1.00 0.00 N ATOM 322 CA TYR A 21 -1.838 -19.114 84.926 1.00 0.00 C ATOM 323 C TYR A 21 -0.708 -19.834 84.185 1.00 0.00 C ATOM 324 O TYR A 21 -0.940 -20.493 83.194 1.00 0.00 O ATOM 325 CB TYR A 21 -1.610 -17.606 84.839 1.00 0.00 C ATOM 326 CG TYR A 21 -2.880 -16.879 85.215 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.875 -16.660 84.253 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.069 -16.425 86.526 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.053 -15.986 84.602 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.247 -15.751 86.873 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.239 -15.534 85.911 1.00 0.00 C ATOM 332 OH TYR A 21 -6.398 -14.874 86.254 1.00 0.00 O ATOM 0 H TYR A 21 -1.781 -18.753 87.029 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.786 -19.385 84.461 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.799 -17.312 85.506 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.307 -17.331 83.828 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.734 -17.011 83.241 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.305 -16.595 87.271 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.818 -15.816 83.859 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.389 -15.399 87.884 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.914 -15.423 86.881 1.00 0.00 H new ATOM 342 N VAL A 22 0.511 -19.704 84.636 1.00 0.00 N ATOM 343 CA VAL A 22 1.638 -20.374 83.929 1.00 0.00 C ATOM 344 C VAL A 22 1.447 -21.894 83.983 1.00 0.00 C ATOM 345 O VAL A 22 2.008 -22.623 83.188 1.00 0.00 O ATOM 346 CB VAL A 22 2.971 -19.945 84.568 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.588 -21.089 85.373 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.951 -19.527 83.472 1.00 0.00 C ATOM 0 H VAL A 22 0.774 -19.164 85.461 1.00 0.00 H new ATOM 0 HA VAL A 22 1.655 -20.076 82.881 1.00 0.00 H new ATOM 0 HB VAL A 22 2.773 -19.110 85.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.529 -20.758 85.813 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.902 -21.388 86.165 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.774 -21.938 84.715 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.895 -19.223 83.924 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.125 -20.367 82.800 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.533 -18.692 82.909 1.00 0.00 H new ATOM 358 N ALA A 23 0.633 -22.380 84.888 1.00 0.00 N ATOM 359 CA ALA A 23 0.393 -23.848 84.946 1.00 0.00 C ATOM 360 C ALA A 23 -0.128 -24.278 83.581 1.00 0.00 C ATOM 361 O ALA A 23 0.044 -25.399 83.155 1.00 0.00 O ATOM 362 CB ALA A 23 -0.669 -24.165 86.005 1.00 0.00 C ATOM 0 H ALA A 23 0.130 -21.826 85.582 1.00 0.00 H new ATOM 0 HA ALA A 23 1.314 -24.372 85.203 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.838 -25.241 86.040 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.325 -23.820 86.980 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.600 -23.660 85.749 1.00 0.00 H new ATOM 368 N LYS A 24 -0.751 -23.367 82.886 1.00 0.00 N ATOM 369 CA LYS A 24 -1.281 -23.681 81.537 1.00 0.00 C ATOM 370 C LYS A 24 -0.139 -24.188 80.654 1.00 0.00 C ATOM 371 O LYS A 24 0.065 -25.377 80.500 1.00 0.00 O ATOM 372 CB LYS A 24 -1.862 -22.399 80.928 1.00 0.00 C ATOM 373 CG LYS A 24 -3.200 -22.057 81.597 1.00 0.00 C ATOM 374 CD LYS A 24 -4.340 -22.756 80.851 1.00 0.00 C ATOM 375 CE LYS A 24 -5.534 -22.945 81.793 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.699 -23.480 81.028 1.00 0.00 N ATOM 0 H LYS A 24 -0.915 -22.411 83.201 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.055 -24.446 81.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.160 -21.575 81.058 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.006 -22.529 79.855 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.188 -22.372 82.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.356 -20.978 81.592 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.638 -22.164 79.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.003 -23.723 80.476 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.269 -23.631 82.598 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.797 -21.995 82.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.507 -23.607 81.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.957 -22.811 80.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.446 -24.396 80.605 1.00 0.00 H new ATOM 390 N GLY A 25 0.608 -23.291 80.074 1.00 0.00 N ATOM 391 CA GLY A 25 1.739 -23.717 79.202 1.00 0.00 C ATOM 392 C GLY A 25 2.655 -22.528 78.897 1.00 0.00 C ATOM 393 O GLY A 25 2.431 -21.782 77.967 1.00 0.00 O ATOM 0 H GLY A 25 0.485 -22.283 80.165 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.308 -24.506 79.693 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.353 -24.134 78.272 1.00 0.00 H new ATOM 397 N GLU A 26 3.683 -22.367 79.682 1.00 0.00 N ATOM 398 CA GLU A 26 4.659 -21.247 79.485 1.00 0.00 C ATOM 399 C GLU A 26 3.969 -19.988 78.941 1.00 0.00 C ATOM 400 O GLU A 26 3.690 -19.876 77.766 1.00 0.00 O ATOM 401 CB GLU A 26 5.788 -21.677 78.537 1.00 0.00 C ATOM 402 CG GLU A 26 5.230 -22.454 77.340 1.00 0.00 C ATOM 403 CD GLU A 26 6.349 -22.673 76.319 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.233 -23.466 76.598 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.301 -22.046 75.273 1.00 0.00 O ATOM 0 H GLU A 26 3.896 -22.977 80.471 1.00 0.00 H new ATOM 0 HA GLU A 26 5.083 -21.006 80.460 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.328 -20.798 78.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.505 -22.297 79.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.828 -23.412 77.668 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.408 -21.903 76.884 1.00 0.00 H new ATOM 412 N ASP A 27 3.726 -19.029 79.794 1.00 0.00 N ATOM 413 CA ASP A 27 3.081 -17.754 79.355 1.00 0.00 C ATOM 414 C ASP A 27 3.786 -16.599 80.064 1.00 0.00 C ATOM 415 O ASP A 27 3.171 -15.651 80.505 1.00 0.00 O ATOM 416 CB ASP A 27 1.601 -17.771 79.747 1.00 0.00 C ATOM 417 CG ASP A 27 0.937 -19.027 79.177 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.123 -20.086 79.757 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.257 -18.911 78.171 1.00 0.00 O ATOM 0 H ASP A 27 3.949 -19.074 80.788 1.00 0.00 H new ATOM 0 HA ASP A 27 3.159 -17.639 78.274 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.501 -17.754 80.832 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.103 -16.879 79.367 1.00 0.00 H new ATOM 424 N VAL A 28 5.082 -16.691 80.196 1.00 0.00 N ATOM 425 CA VAL A 28 5.849 -15.626 80.899 1.00 0.00 C ATOM 426 C VAL A 28 6.553 -14.732 79.878 1.00 0.00 C ATOM 427 O VAL A 28 7.754 -14.549 79.918 1.00 0.00 O ATOM 428 CB VAL A 28 6.869 -16.306 81.810 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.109 -17.191 82.798 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.819 -17.180 80.974 1.00 0.00 C ATOM 0 H VAL A 28 5.645 -17.465 79.844 1.00 0.00 H new ATOM 0 HA VAL A 28 5.182 -14.999 81.491 1.00 0.00 H new ATOM 0 HB VAL A 28 7.455 -15.554 82.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.817 -17.688 83.461 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.430 -16.577 83.389 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.537 -17.940 82.250 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.543 -17.661 81.631 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.244 -17.942 80.448 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.344 -16.557 80.250 1.00 0.00 H new ATOM 440 N ASN A 29 5.809 -14.172 78.968 1.00 0.00 N ATOM 441 CA ASN A 29 6.405 -13.292 77.940 1.00 0.00 C ATOM 442 C ASN A 29 5.268 -12.647 77.148 1.00 0.00 C ATOM 443 O ASN A 29 5.399 -12.339 75.979 1.00 0.00 O ATOM 444 CB ASN A 29 7.288 -14.121 77.010 1.00 0.00 C ATOM 445 CG ASN A 29 6.592 -15.444 76.696 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.667 -16.428 77.549 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.971 -15.581 75.663 1.00 0.00 N flip ATOM 0 H ASN A 29 4.799 -14.292 78.896 1.00 0.00 H new ATOM 0 HA ASN A 29 7.018 -12.520 78.406 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.482 -13.572 76.089 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.254 -14.308 77.479 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.913 -14.811 74.997 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.507 -16.466 75.461 1.00 0.00 H new ATOM 454 N ARG A 30 4.149 -12.439 77.795 1.00 0.00 N ATOM 455 CA ARG A 30 2.980 -11.805 77.125 1.00 0.00 C ATOM 456 C ARG A 30 2.820 -10.381 77.660 1.00 0.00 C ATOM 457 O ARG A 30 3.148 -10.098 78.796 1.00 0.00 O ATOM 458 CB ARG A 30 1.714 -12.616 77.437 1.00 0.00 C ATOM 459 CG ARG A 30 1.978 -14.105 77.174 1.00 0.00 C ATOM 460 CD ARG A 30 0.674 -14.801 76.762 1.00 0.00 C ATOM 461 NE ARG A 30 0.972 -16.207 76.356 1.00 0.00 N ATOM 462 CZ ARG A 30 0.000 -17.070 76.195 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.242 -16.708 76.397 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.270 -18.297 75.836 1.00 0.00 N ATOM 0 H ARG A 30 3.997 -12.686 78.773 1.00 0.00 H new ATOM 0 HA ARG A 30 3.135 -11.780 76.046 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.421 -12.466 78.476 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.886 -12.269 76.819 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.725 -14.218 76.388 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.384 -14.575 78.070 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.034 -14.792 77.591 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.206 -14.263 75.937 1.00 0.00 H new ATOM 0 HE ARG A 30 1.938 -16.497 76.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.455 -15.752 76.681 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.997 -17.382 76.271 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.237 -18.582 75.681 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.486 -18.970 75.710 1.00 0.00 H new ATOM 478 N THR A 31 2.321 -9.483 76.862 1.00 0.00 N ATOM 479 CA THR A 31 2.142 -8.081 77.343 1.00 0.00 C ATOM 480 C THR A 31 1.204 -8.082 78.550 1.00 0.00 C ATOM 481 O THR A 31 0.001 -8.214 78.422 1.00 0.00 O ATOM 482 CB THR A 31 1.562 -7.204 76.227 1.00 0.00 C ATOM 483 OG1 THR A 31 2.078 -7.633 74.976 1.00 0.00 O ATOM 484 CG2 THR A 31 1.963 -5.746 76.468 1.00 0.00 C ATOM 0 H THR A 31 2.029 -9.654 75.900 1.00 0.00 H new ATOM 0 HA THR A 31 3.110 -7.673 77.632 1.00 0.00 H new ATOM 0 HB THR A 31 0.475 -7.288 76.223 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.707 -7.075 74.261 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.552 -5.120 75.676 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.573 -5.416 77.431 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.050 -5.663 76.469 1.00 0.00 H new ATOM 492 N LEU A 32 1.754 -7.943 79.720 1.00 0.00 N ATOM 493 CA LEU A 32 0.925 -7.945 80.960 1.00 0.00 C ATOM 494 C LEU A 32 -0.325 -7.064 80.788 1.00 0.00 C ATOM 495 O LEU A 32 -1.390 -7.545 80.458 1.00 0.00 O ATOM 496 CB LEU A 32 1.785 -7.418 82.121 1.00 0.00 C ATOM 497 CG LEU A 32 1.462 -8.167 83.419 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.349 -7.630 84.547 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.011 -7.951 83.785 1.00 0.00 C ATOM 0 H LEU A 32 2.755 -7.826 79.875 1.00 0.00 H new ATOM 0 HA LEU A 32 0.589 -8.961 81.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.841 -7.537 81.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.607 -6.351 82.257 1.00 0.00 H new ATOM 0 HG LEU A 32 1.648 -9.232 83.280 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.122 -8.160 85.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.397 -7.782 84.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.159 -6.565 84.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.239 -8.484 84.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.199 -6.886 83.925 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.644 -8.328 82.982 1.00 0.00 H new ATOM 511 N GLU A 33 -0.210 -5.784 81.036 1.00 0.00 N ATOM 512 CA GLU A 33 -1.396 -4.882 80.919 1.00 0.00 C ATOM 513 C GLU A 33 -1.634 -4.493 79.453 1.00 0.00 C ATOM 514 O GLU A 33 -2.639 -4.840 78.869 1.00 0.00 O ATOM 515 CB GLU A 33 -1.148 -3.628 81.769 1.00 0.00 C ATOM 516 CG GLU A 33 -2.094 -2.498 81.353 1.00 0.00 C ATOM 517 CD GLU A 33 -2.202 -1.484 82.493 1.00 0.00 C ATOM 518 OE1 GLU A 33 -2.716 -1.844 83.541 1.00 0.00 O ATOM 519 OE2 GLU A 33 -1.763 -0.360 82.303 1.00 0.00 O ATOM 0 H GLU A 33 0.656 -5.324 81.315 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.285 -5.401 81.278 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.294 -3.862 82.823 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.114 -3.304 81.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.723 -2.011 80.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.078 -2.901 81.115 1.00 0.00 H new ATOM 526 N GLY A 34 -0.724 -3.772 78.854 1.00 0.00 N ATOM 527 CA GLY A 34 -0.909 -3.368 77.428 1.00 0.00 C ATOM 528 C GLY A 34 0.454 -3.096 76.790 1.00 0.00 C ATOM 529 O GLY A 34 0.581 -2.966 75.589 1.00 0.00 O ATOM 0 H GLY A 34 0.139 -3.445 79.289 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.427 -4.156 76.881 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.533 -2.476 77.370 1.00 0.00 H new ATOM 533 N GLY A 35 1.475 -3.010 77.592 1.00 0.00 N ATOM 534 CA GLY A 35 2.839 -2.755 77.055 1.00 0.00 C ATOM 535 C GLY A 35 3.863 -3.157 78.118 1.00 0.00 C ATOM 536 O GLY A 35 5.022 -2.802 78.044 1.00 0.00 O ATOM 0 H GLY A 35 1.423 -3.106 78.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.999 -3.326 76.140 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.954 -1.702 76.798 1.00 0.00 H new ATOM 540 N ARG A 36 3.433 -3.890 79.115 1.00 0.00 N ATOM 541 CA ARG A 36 4.365 -4.313 80.206 1.00 0.00 C ATOM 542 C ARG A 36 4.539 -5.843 80.196 1.00 0.00 C ATOM 543 O ARG A 36 3.729 -6.565 79.652 1.00 0.00 O ATOM 544 CB ARG A 36 3.777 -3.887 81.562 1.00 0.00 C ATOM 545 CG ARG A 36 2.899 -2.640 81.393 1.00 0.00 C ATOM 546 CD ARG A 36 3.779 -1.426 81.075 1.00 0.00 C ATOM 547 NE ARG A 36 2.929 -0.265 80.694 1.00 0.00 N ATOM 548 CZ ARG A 36 3.414 0.945 80.783 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.628 1.127 81.227 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.683 1.971 80.441 1.00 0.00 N ATOM 0 H ARG A 36 2.472 -4.215 79.221 1.00 0.00 H new ATOM 0 HA ARG A 36 5.335 -3.841 80.048 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.187 -4.701 81.982 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.582 -3.680 82.267 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.177 -2.798 80.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.329 -2.459 82.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.389 -1.172 81.942 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.465 -1.667 80.263 1.00 0.00 H new ATOM 0 HE ARG A 36 1.975 -0.413 80.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.195 0.326 81.503 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.009 2.070 81.297 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.731 1.829 80.103 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.064 2.915 80.511 1.00 0.00 H new ATOM 564 N LYS A 37 5.577 -6.343 80.827 1.00 0.00 N ATOM 565 CA LYS A 37 5.793 -7.824 80.891 1.00 0.00 C ATOM 566 C LYS A 37 5.558 -8.268 82.351 1.00 0.00 C ATOM 567 O LYS A 37 5.585 -7.441 83.243 1.00 0.00 O ATOM 568 CB LYS A 37 7.227 -8.167 80.452 1.00 0.00 C ATOM 569 CG LYS A 37 8.129 -6.926 80.545 1.00 0.00 C ATOM 570 CD LYS A 37 8.301 -6.519 82.012 1.00 0.00 C ATOM 571 CE LYS A 37 9.069 -5.193 82.118 1.00 0.00 C ATOM 572 NZ LYS A 37 9.873 -4.960 80.884 1.00 0.00 N ATOM 0 H LYS A 37 6.287 -5.785 81.302 1.00 0.00 H new ATOM 0 HA LYS A 37 5.105 -8.342 80.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.626 -8.962 81.082 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.220 -8.543 79.429 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.101 -7.138 80.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.692 -6.104 79.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.324 -6.418 82.484 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.837 -7.300 82.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.369 -4.370 82.265 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.724 -5.213 82.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.583 -4.223 81.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.352 -5.842 80.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.245 -4.653 80.114 1.00 0.00 H new ATOM 586 N PRO A 38 5.297 -9.541 82.566 1.00 0.00 N ATOM 587 CA PRO A 38 5.012 -10.058 83.935 1.00 0.00 C ATOM 588 C PRO A 38 6.268 -10.125 84.849 1.00 0.00 C ATOM 589 O PRO A 38 6.330 -10.960 85.732 1.00 0.00 O ATOM 590 CB PRO A 38 4.484 -11.480 83.683 1.00 0.00 C ATOM 591 CG PRO A 38 4.882 -11.863 82.233 1.00 0.00 C ATOM 592 CD PRO A 38 5.244 -10.561 81.497 1.00 0.00 C ATOM 0 HA PRO A 38 4.318 -9.400 84.458 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.912 -12.182 84.398 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.402 -11.517 83.808 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.728 -12.550 82.236 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.059 -12.372 81.731 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.201 -10.648 80.982 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.498 -10.309 80.743 1.00 0.00 H new ATOM 600 N LEU A 39 7.265 -9.286 84.663 1.00 0.00 N ATOM 601 CA LEU A 39 8.491 -9.369 85.548 1.00 0.00 C ATOM 602 C LEU A 39 8.721 -8.041 86.287 1.00 0.00 C ATOM 603 O LEU A 39 9.456 -7.983 87.249 1.00 0.00 O ATOM 604 CB LEU A 39 9.723 -9.672 84.664 1.00 0.00 C ATOM 605 CG LEU A 39 10.961 -10.174 85.466 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.577 -10.878 86.775 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.741 -11.165 84.586 1.00 0.00 C ATOM 0 H LEU A 39 7.290 -8.557 83.950 1.00 0.00 H new ATOM 0 HA LEU A 39 8.342 -10.158 86.285 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.452 -10.424 83.923 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.997 -8.770 84.117 1.00 0.00 H new ATOM 0 HG LEU A 39 11.561 -9.302 85.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.480 -11.206 87.290 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.026 -10.186 87.412 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.952 -11.743 86.553 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.612 -11.528 85.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.098 -12.007 84.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.066 -10.664 83.674 1.00 0.00 H new ATOM 619 N HIS A 40 8.119 -6.975 85.842 1.00 0.00 N ATOM 620 CA HIS A 40 8.339 -5.657 86.517 1.00 0.00 C ATOM 621 C HIS A 40 7.635 -5.640 87.879 1.00 0.00 C ATOM 622 O HIS A 40 8.223 -5.294 88.885 1.00 0.00 O ATOM 623 CB HIS A 40 7.764 -4.541 85.645 1.00 0.00 C ATOM 624 CG HIS A 40 8.084 -3.200 86.253 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.216 -2.421 86.222 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 7.160 -2.490 87.004 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 8.998 -1.247 86.942 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 7.745 -1.342 87.391 1.00 0.00 N flip ATOM 0 H HIS A 40 7.485 -6.954 85.043 1.00 0.00 H new ATOM 0 HA HIS A 40 9.409 -5.505 86.662 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.179 -4.603 84.639 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.685 -4.660 85.552 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.153 -2.802 87.236 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.693 -0.436 87.102 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.286 -0.630 87.959 1.00 0.00 H new ATOM 636 N TYR A 41 6.388 -6.016 87.920 1.00 0.00 N ATOM 637 CA TYR A 41 5.649 -6.027 89.217 1.00 0.00 C ATOM 638 C TYR A 41 6.237 -7.110 90.108 1.00 0.00 C ATOM 639 O TYR A 41 6.371 -6.948 91.306 1.00 0.00 O ATOM 640 CB TYR A 41 4.179 -6.313 88.942 1.00 0.00 C ATOM 641 CG TYR A 41 3.759 -5.454 87.782 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.104 -5.823 86.476 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.056 -4.271 88.014 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.739 -5.008 85.400 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.685 -3.458 86.939 1.00 0.00 C ATOM 646 CZ TYR A 41 3.030 -3.826 85.631 1.00 0.00 C ATOM 647 OH TYR A 41 2.672 -3.024 84.568 1.00 0.00 O ATOM 0 H TYR A 41 5.846 -6.317 87.110 1.00 0.00 H new ATOM 0 HA TYR A 41 5.739 -5.063 89.718 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.031 -7.368 88.711 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.575 -6.091 89.822 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.652 -6.737 86.300 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.799 -3.984 89.023 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.005 -5.291 84.392 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.133 -2.547 87.116 1.00 0.00 H new ATOM 0 HH TYR A 41 2.183 -2.241 84.899 1.00 0.00 H new ATOM 657 N ALA A 42 6.623 -8.206 89.524 1.00 0.00 N ATOM 658 CA ALA A 42 7.242 -9.283 90.329 1.00 0.00 C ATOM 659 C ALA A 42 8.576 -8.752 90.827 1.00 0.00 C ATOM 660 O ALA A 42 8.808 -8.615 92.004 1.00 0.00 O ATOM 661 CB ALA A 42 7.467 -10.515 89.451 1.00 0.00 C ATOM 0 H ALA A 42 6.536 -8.400 88.526 1.00 0.00 H new ATOM 0 HA ALA A 42 6.602 -9.570 91.163 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.923 -11.307 90.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.511 -10.861 89.058 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.128 -10.256 88.624 1.00 0.00 H new ATOM 667 N ALA A 43 9.443 -8.414 89.928 1.00 0.00 N ATOM 668 CA ALA A 43 10.751 -7.856 90.337 1.00 0.00 C ATOM 669 C ALA A 43 10.511 -6.682 91.295 1.00 0.00 C ATOM 670 O ALA A 43 10.960 -6.680 92.421 1.00 0.00 O ATOM 671 CB ALA A 43 11.465 -7.340 89.087 1.00 0.00 C ATOM 0 H ALA A 43 9.303 -8.500 88.921 1.00 0.00 H new ATOM 0 HA ALA A 43 11.354 -8.619 90.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.433 -6.924 89.367 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.612 -8.162 88.387 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.860 -6.566 88.616 1.00 0.00 H new ATOM 677 N ASP A 44 9.812 -5.681 90.830 1.00 0.00 N ATOM 678 CA ASP A 44 9.535 -4.472 91.662 1.00 0.00 C ATOM 679 C ASP A 44 8.805 -4.814 92.976 1.00 0.00 C ATOM 680 O ASP A 44 8.974 -4.131 93.966 1.00 0.00 O ATOM 681 CB ASP A 44 8.681 -3.496 90.853 1.00 0.00 C ATOM 682 CG ASP A 44 8.641 -2.151 91.573 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.704 -1.614 91.843 1.00 0.00 O ATOM 684 OD2 ASP A 44 7.550 -1.686 91.852 1.00 0.00 O ATOM 0 H ASP A 44 9.414 -5.649 89.891 1.00 0.00 H new ATOM 0 HA ASP A 44 10.494 -4.027 91.927 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.095 -3.374 89.852 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.671 -3.889 90.734 1.00 0.00 H new ATOM 689 N CYS A 45 7.990 -5.839 93.009 1.00 0.00 N ATOM 690 CA CYS A 45 7.263 -6.170 94.277 1.00 0.00 C ATOM 691 C CYS A 45 6.731 -7.597 94.192 1.00 0.00 C ATOM 692 O CYS A 45 5.539 -7.833 94.239 1.00 0.00 O ATOM 693 CB CYS A 45 6.079 -5.214 94.451 1.00 0.00 C ATOM 694 SG CYS A 45 6.680 -3.600 95.013 1.00 0.00 S ATOM 0 H CYS A 45 7.797 -6.457 92.221 1.00 0.00 H new ATOM 0 HA CYS A 45 7.945 -6.073 95.122 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.544 -5.106 93.508 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.372 -5.622 95.173 1.00 0.00 H new ATOM 0 HG CYS A 45 7.877 -3.397 94.549 1.00 0.00 H new ATOM 700 N GLY A 46 7.602 -8.553 94.051 1.00 0.00 N ATOM 701 CA GLY A 46 7.144 -9.970 93.944 1.00 0.00 C ATOM 702 C GLY A 46 7.585 -10.772 95.169 1.00 0.00 C ATOM 703 O GLY A 46 7.783 -11.965 95.087 1.00 0.00 O ATOM 0 H GLY A 46 8.612 -8.418 94.005 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.058 -10.001 93.854 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.552 -10.422 93.040 1.00 0.00 H new ATOM 707 N GLN A 47 7.772 -10.139 96.294 1.00 0.00 N ATOM 708 CA GLN A 47 8.235 -10.902 97.485 1.00 0.00 C ATOM 709 C GLN A 47 9.503 -11.648 97.069 1.00 0.00 C ATOM 710 O GLN A 47 9.984 -12.546 97.733 1.00 0.00 O ATOM 711 CB GLN A 47 7.142 -11.874 97.938 1.00 0.00 C ATOM 712 CG GLN A 47 6.098 -11.105 98.756 1.00 0.00 C ATOM 713 CD GLN A 47 5.694 -9.825 98.016 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.327 -9.897 96.768 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.715 -8.748 98.581 1.00 0.00 N flip ATOM 0 H GLN A 47 7.626 -9.140 96.439 1.00 0.00 H new ATOM 0 HA GLN A 47 8.447 -10.241 98.326 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.672 -12.342 97.073 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.575 -12.675 98.538 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.221 -11.731 98.923 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.503 -10.856 99.737 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.002 -8.690 99.558 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.445 -7.903 98.078 1.00 0.00 H new ATOM 724 N LEU A 48 10.041 -11.224 95.956 1.00 0.00 N ATOM 725 CA LEU A 48 11.299 -11.799 95.400 1.00 0.00 C ATOM 726 C LEU A 48 11.156 -13.298 95.122 1.00 0.00 C ATOM 727 O LEU A 48 12.108 -13.971 94.775 1.00 0.00 O ATOM 728 CB LEU A 48 12.438 -11.533 96.380 1.00 0.00 C ATOM 729 CG LEU A 48 12.907 -10.053 96.322 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.069 -9.202 95.356 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.820 -9.435 97.719 1.00 0.00 C ATOM 0 H LEU A 48 9.643 -10.474 95.390 1.00 0.00 H new ATOM 0 HA LEU A 48 11.517 -11.320 94.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.112 -11.773 97.392 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.277 -12.191 96.151 1.00 0.00 H new ATOM 0 HG LEU A 48 13.934 -10.059 95.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.442 -8.178 95.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.143 -9.615 94.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.027 -9.209 95.675 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.149 -8.397 97.679 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.789 -9.476 98.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.460 -9.992 98.404 1.00 0.00 H new ATOM 743 N GLU A 49 9.970 -13.806 95.239 1.00 0.00 N ATOM 744 CA GLU A 49 9.721 -15.246 94.940 1.00 0.00 C ATOM 745 C GLU A 49 9.088 -15.335 93.554 1.00 0.00 C ATOM 746 O GLU A 49 9.344 -16.242 92.787 1.00 0.00 O ATOM 747 CB GLU A 49 8.759 -15.850 95.969 1.00 0.00 C ATOM 748 CG GLU A 49 7.745 -14.791 96.391 1.00 0.00 C ATOM 749 CD GLU A 49 6.698 -15.415 97.314 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.087 -15.964 98.332 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.527 -15.336 96.986 1.00 0.00 O ATOM 0 H GLU A 49 9.146 -13.282 95.533 1.00 0.00 H new ATOM 0 HA GLU A 49 10.661 -15.797 94.979 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.246 -16.712 95.543 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.313 -16.206 96.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.252 -13.972 96.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.261 -14.367 95.511 1.00 0.00 H new ATOM 758 N ILE A 50 8.237 -14.395 93.250 1.00 0.00 N ATOM 759 CA ILE A 50 7.540 -14.394 91.938 1.00 0.00 C ATOM 760 C ILE A 50 8.523 -14.200 90.786 1.00 0.00 C ATOM 761 O ILE A 50 8.364 -14.787 89.740 1.00 0.00 O ATOM 762 CB ILE A 50 6.501 -13.272 91.901 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.602 -13.373 93.161 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.693 -13.385 90.596 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.110 -13.329 92.809 1.00 0.00 C ATOM 0 H ILE A 50 7.993 -13.618 93.865 1.00 0.00 H new ATOM 0 HA ILE A 50 7.052 -15.362 91.821 1.00 0.00 H new ATOM 0 HB ILE A 50 6.979 -12.292 91.914 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.822 -14.300 93.690 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.838 -12.555 93.841 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.949 -12.590 90.559 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.365 -13.293 89.743 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.192 -14.352 90.561 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.519 -13.403 93.722 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.883 -12.390 92.304 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.867 -14.163 92.151 1.00 0.00 H new ATOM 777 N LEU A 51 9.524 -13.383 90.938 1.00 0.00 N ATOM 778 CA LEU A 51 10.455 -13.205 89.792 1.00 0.00 C ATOM 779 C LEU A 51 11.141 -14.545 89.483 1.00 0.00 C ATOM 780 O LEU A 51 11.104 -15.018 88.370 1.00 0.00 O ATOM 781 CB LEU A 51 11.506 -12.087 90.011 1.00 0.00 C ATOM 782 CG LEU A 51 11.727 -11.697 91.485 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.445 -11.137 92.116 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.235 -12.902 92.269 1.00 0.00 C ATOM 0 H LEU A 51 9.735 -12.845 91.778 1.00 0.00 H new ATOM 0 HA LEU A 51 9.857 -12.881 88.940 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.457 -12.412 89.588 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.196 -11.201 89.457 1.00 0.00 H new ATOM 0 HG LEU A 51 12.478 -10.908 91.522 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.637 -10.872 93.156 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.127 -10.250 91.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.659 -11.891 92.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.389 -12.620 93.310 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.501 -13.706 92.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.178 -13.243 91.842 1.00 0.00 H new ATOM 796 N GLU A 52 11.756 -15.173 90.448 1.00 0.00 N ATOM 797 CA GLU A 52 12.412 -16.484 90.172 1.00 0.00 C ATOM 798 C GLU A 52 11.403 -17.428 89.521 1.00 0.00 C ATOM 799 O GLU A 52 11.750 -18.262 88.712 1.00 0.00 O ATOM 800 CB GLU A 52 12.873 -17.157 91.474 1.00 0.00 C ATOM 801 CG GLU A 52 13.603 -16.176 92.387 1.00 0.00 C ATOM 802 CD GLU A 52 14.078 -16.929 93.635 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.599 -18.022 93.479 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.907 -16.403 94.722 1.00 0.00 O ATOM 0 H GLU A 52 11.833 -14.839 91.409 1.00 0.00 H new ATOM 0 HA GLU A 52 13.268 -16.295 89.524 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.009 -17.568 91.997 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.531 -17.994 91.238 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.452 -15.734 91.866 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.941 -15.357 92.669 1.00 0.00 H new ATOM 811 N PHE A 53 10.162 -17.334 89.913 1.00 0.00 N ATOM 812 CA PHE A 53 9.130 -18.259 89.378 1.00 0.00 C ATOM 813 C PHE A 53 8.982 -18.155 87.859 1.00 0.00 C ATOM 814 O PHE A 53 9.576 -18.904 87.117 1.00 0.00 O ATOM 815 CB PHE A 53 7.787 -17.942 90.027 1.00 0.00 C ATOM 816 CG PHE A 53 6.740 -18.886 89.479 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.848 -20.258 89.728 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.673 -18.393 88.719 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.891 -21.140 89.218 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.712 -19.276 88.209 1.00 0.00 C ATOM 821 CZ PHE A 53 4.823 -20.651 88.459 1.00 0.00 C ATOM 0 H PHE A 53 9.819 -16.649 90.587 1.00 0.00 H new ATOM 0 HA PHE A 53 9.450 -19.274 89.612 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.858 -18.046 91.110 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.505 -16.909 89.824 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.672 -20.636 90.315 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.591 -17.334 88.526 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.976 -22.199 89.410 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.887 -18.898 87.624 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.084 -21.333 88.065 1.00 0.00 H new ATOM 831 N LEU A 54 8.147 -17.276 87.396 1.00 0.00 N ATOM 832 CA LEU A 54 7.909 -17.178 85.930 1.00 0.00 C ATOM 833 C LEU A 54 9.221 -17.005 85.151 1.00 0.00 C ATOM 834 O LEU A 54 9.262 -17.218 83.956 1.00 0.00 O ATOM 835 CB LEU A 54 6.950 -16.016 85.633 1.00 0.00 C ATOM 836 CG LEU A 54 7.028 -14.940 86.719 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.473 -14.467 86.883 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.149 -13.756 86.306 1.00 0.00 C ATOM 0 H LEU A 54 7.616 -16.619 87.968 1.00 0.00 H new ATOM 0 HA LEU A 54 7.456 -18.113 85.599 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.195 -15.578 84.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.929 -16.392 85.563 1.00 0.00 H new ATOM 0 HG LEU A 54 6.680 -15.352 87.666 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.520 -13.701 87.658 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.102 -15.310 87.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.829 -14.051 85.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.197 -12.983 87.073 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.506 -13.351 85.359 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.118 -14.091 86.192 1.00 0.00 H new ATOM 850 N LEU A 55 10.291 -16.643 85.797 1.00 0.00 N ATOM 851 CA LEU A 55 11.578 -16.489 85.052 1.00 0.00 C ATOM 852 C LEU A 55 12.159 -17.878 84.769 1.00 0.00 C ATOM 853 O LEU A 55 12.621 -18.157 83.679 1.00 0.00 O ATOM 854 CB LEU A 55 12.566 -15.673 85.891 1.00 0.00 C ATOM 855 CG LEU A 55 13.721 -15.159 85.018 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.506 -14.112 85.813 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.662 -16.316 84.644 1.00 0.00 C ATOM 0 H LEU A 55 10.336 -16.448 86.797 1.00 0.00 H new ATOM 0 HA LEU A 55 11.399 -15.968 84.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.050 -14.831 86.354 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.960 -16.289 86.699 1.00 0.00 H new ATOM 0 HG LEU A 55 13.317 -14.723 84.104 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.330 -13.737 85.206 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.846 -13.286 86.078 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.902 -14.566 86.721 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.476 -15.938 84.025 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.072 -16.759 85.551 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.106 -17.072 84.090 1.00 0.00 H new ATOM 869 N LEU A 56 12.123 -18.755 85.740 1.00 0.00 N ATOM 870 CA LEU A 56 12.663 -20.131 85.520 1.00 0.00 C ATOM 871 C LEU A 56 11.833 -20.805 84.435 1.00 0.00 C ATOM 872 O LEU A 56 12.299 -21.664 83.712 1.00 0.00 O ATOM 873 CB LEU A 56 12.640 -20.948 86.826 1.00 0.00 C ATOM 874 CG LEU A 56 11.228 -21.482 87.127 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.095 -22.925 86.629 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.002 -21.468 88.640 1.00 0.00 C ATOM 0 H LEU A 56 11.745 -18.579 86.671 1.00 0.00 H new ATOM 0 HA LEU A 56 13.704 -20.072 85.201 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.338 -21.782 86.748 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.979 -20.325 87.653 1.00 0.00 H new ATOM 0 HG LEU A 56 10.494 -20.853 86.624 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.093 -23.294 86.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.268 -22.956 85.553 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.830 -23.553 87.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.004 -21.845 88.862 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.745 -22.101 89.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.096 -20.448 89.012 1.00 0.00 H new ATOM 888 N LYS A 57 10.612 -20.385 84.290 1.00 0.00 N ATOM 889 CA LYS A 57 9.749 -20.948 83.224 1.00 0.00 C ATOM 890 C LYS A 57 10.331 -20.444 81.903 1.00 0.00 C ATOM 891 O LYS A 57 11.288 -20.992 81.392 1.00 0.00 O ATOM 892 CB LYS A 57 8.316 -20.437 83.444 1.00 0.00 C ATOM 893 CG LYS A 57 7.373 -20.920 82.331 1.00 0.00 C ATOM 894 CD LYS A 57 7.362 -22.455 82.244 1.00 0.00 C ATOM 895 CE LYS A 57 7.144 -23.080 83.629 1.00 0.00 C ATOM 896 NZ LYS A 57 6.594 -24.456 83.459 1.00 0.00 N ATOM 0 H LYS A 57 10.172 -19.670 84.869 1.00 0.00 H new ATOM 0 HA LYS A 57 9.717 -22.038 83.226 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.949 -20.783 84.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.317 -19.347 83.475 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.363 -20.556 82.522 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.688 -20.501 81.375 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.573 -22.779 81.566 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.305 -22.806 81.826 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.085 -23.116 84.178 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.456 -22.469 84.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.443 -24.887 84.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.689 -24.407 82.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.266 -25.034 82.915 1.00 0.00 H new ATOM 910 N GLY A 58 9.820 -19.362 81.388 1.00 0.00 N ATOM 911 CA GLY A 58 10.409 -18.778 80.153 1.00 0.00 C ATOM 912 C GLY A 58 11.492 -17.802 80.614 1.00 0.00 C ATOM 913 O GLY A 58 12.415 -18.185 81.304 1.00 0.00 O ATOM 0 H GLY A 58 9.020 -18.857 81.769 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.832 -19.557 79.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.648 -18.265 79.564 1.00 0.00 H new ATOM 917 N ALA A 59 11.388 -16.541 80.294 1.00 0.00 N ATOM 918 CA ALA A 59 12.424 -15.591 80.795 1.00 0.00 C ATOM 919 C ALA A 59 12.294 -14.212 80.142 1.00 0.00 C ATOM 920 O ALA A 59 13.027 -13.872 79.239 1.00 0.00 O ATOM 921 CB ALA A 59 13.826 -16.161 80.538 1.00 0.00 C ATOM 0 H ALA A 59 10.649 -16.133 79.721 1.00 0.00 H new ATOM 0 HA ALA A 59 12.269 -15.467 81.867 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.576 -15.462 80.907 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.932 -17.114 81.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.966 -16.313 79.468 1.00 0.00 H new ATOM 927 N ASP A 60 11.397 -13.395 80.635 1.00 0.00 N ATOM 928 CA ASP A 60 11.259 -12.013 80.099 1.00 0.00 C ATOM 929 C ASP A 60 12.397 -11.190 80.712 1.00 0.00 C ATOM 930 O ASP A 60 12.449 -9.979 80.621 1.00 0.00 O ATOM 931 CB ASP A 60 9.906 -11.438 80.523 1.00 0.00 C ATOM 932 CG ASP A 60 9.785 -9.996 80.036 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.237 -9.113 80.745 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.237 -9.797 78.965 1.00 0.00 O ATOM 0 H ASP A 60 10.753 -13.631 81.390 1.00 0.00 H new ATOM 0 HA ASP A 60 11.310 -11.997 79.010 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.098 -12.041 80.109 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.808 -11.475 81.608 1.00 0.00 H new ATOM 939 N ILE A 61 13.294 -11.880 81.356 1.00 0.00 N ATOM 940 CA ILE A 61 14.459 -11.241 82.029 1.00 0.00 C ATOM 941 C ILE A 61 15.257 -10.396 81.038 1.00 0.00 C ATOM 942 O ILE A 61 16.000 -9.508 81.409 1.00 0.00 O ATOM 943 CB ILE A 61 15.342 -12.375 82.541 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.484 -11.826 83.390 1.00 0.00 C ATOM 945 CG2 ILE A 61 15.929 -13.120 81.340 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.470 -12.957 83.702 1.00 0.00 C ATOM 0 H ILE A 61 13.267 -12.896 81.447 1.00 0.00 H new ATOM 0 HA ILE A 61 14.123 -10.589 82.835 1.00 0.00 H new ATOM 0 HB ILE A 61 14.740 -13.045 83.154 1.00 0.00 H new ATOM 0 HG12 ILE A 61 16.992 -11.020 82.860 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.094 -11.402 84.315 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.563 -13.934 81.691 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.120 -13.526 80.733 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.523 -12.431 80.739 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.288 -12.569 84.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.956 -13.747 84.249 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.868 -13.360 82.771 1.00 0.00 H new ATOM 958 N ASN A 62 15.117 -10.683 79.783 1.00 0.00 N ATOM 959 CA ASN A 62 15.875 -9.933 78.746 1.00 0.00 C ATOM 960 C ASN A 62 14.924 -9.502 77.626 1.00 0.00 C ATOM 961 O ASN A 62 15.073 -8.451 77.038 1.00 0.00 O ATOM 962 CB ASN A 62 16.966 -10.851 78.169 1.00 0.00 C ATOM 963 CG ASN A 62 16.317 -12.117 77.599 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.319 -12.665 78.236 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 16.724 -12.610 76.566 1.00 0.00 N flip ATOM 0 H ASN A 62 14.503 -11.414 79.422 1.00 0.00 H new ATOM 0 HA ASN A 62 16.330 -9.047 79.189 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.520 -10.330 77.388 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.683 -11.115 78.946 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.504 -12.181 76.069 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.285 -13.453 76.196 1.00 0.00 H new ATOM 972 N ALA A 63 13.949 -10.314 77.337 1.00 0.00 N ATOM 973 CA ALA A 63 12.956 -10.003 76.251 1.00 0.00 C ATOM 974 C ALA A 63 12.843 -8.493 75.934 1.00 0.00 C ATOM 975 O ALA A 63 13.018 -8.108 74.792 1.00 0.00 O ATOM 976 CB ALA A 63 11.583 -10.535 76.647 1.00 0.00 C ATOM 0 H ALA A 63 13.788 -11.202 77.813 1.00 0.00 H new ATOM 0 HA ALA A 63 13.320 -10.492 75.347 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.864 -10.309 75.859 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.638 -11.614 76.789 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.264 -10.062 77.576 1.00 0.00 H new ATOM 982 N PRO A 64 12.566 -7.670 76.923 1.00 0.00 N ATOM 983 CA PRO A 64 12.423 -6.219 76.750 1.00 0.00 C ATOM 984 C PRO A 64 13.003 -5.687 75.438 1.00 0.00 C ATOM 985 O PRO A 64 14.082 -6.036 75.013 1.00 0.00 O ATOM 986 CB PRO A 64 13.138 -5.702 77.994 1.00 0.00 C ATOM 987 CG PRO A 64 12.941 -6.815 79.071 1.00 0.00 C ATOM 988 CD PRO A 64 12.390 -8.054 78.326 1.00 0.00 C ATOM 0 HA PRO A 64 11.388 -5.889 76.667 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.196 -5.528 77.797 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.715 -4.754 78.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.884 -7.047 79.566 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.247 -6.487 79.845 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.945 -8.959 78.574 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.345 -8.244 78.569 1.00 0.00 H new ATOM 996 N ASP A 65 12.242 -4.833 74.800 1.00 0.00 N ATOM 997 CA ASP A 65 12.653 -4.227 73.503 1.00 0.00 C ATOM 998 C ASP A 65 12.171 -2.775 73.477 1.00 0.00 C ATOM 999 O ASP A 65 12.907 -1.865 73.152 1.00 0.00 O ATOM 1000 CB ASP A 65 11.995 -5.009 72.362 1.00 0.00 C ATOM 1001 CG ASP A 65 12.731 -6.334 72.166 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.948 -6.311 72.125 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.064 -7.350 72.066 1.00 0.00 O ATOM 0 H ASP A 65 11.330 -4.525 75.136 1.00 0.00 H new ATOM 0 HA ASP A 65 13.736 -4.260 73.387 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.945 -5.193 72.591 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.023 -4.425 71.442 1.00 0.00 H new ATOM 1008 N LYS A 66 10.932 -2.557 73.830 1.00 0.00 N ATOM 1009 CA LYS A 66 10.377 -1.179 73.846 1.00 0.00 C ATOM 1010 C LYS A 66 10.721 -0.538 75.198 1.00 0.00 C ATOM 1011 O LYS A 66 10.793 0.667 75.336 1.00 0.00 O ATOM 1012 CB LYS A 66 8.856 -1.284 73.671 1.00 0.00 C ATOM 1013 CG LYS A 66 8.280 0.017 73.108 1.00 0.00 C ATOM 1014 CD LYS A 66 8.224 1.097 74.194 1.00 0.00 C ATOM 1015 CE LYS A 66 7.101 2.092 73.880 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.791 1.383 73.840 1.00 0.00 N ATOM 0 H LYS A 66 10.276 -3.286 74.111 1.00 0.00 H new ATOM 0 HA LYS A 66 10.793 -0.567 73.046 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.619 -2.111 73.002 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.390 -1.507 74.631 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.893 0.362 72.276 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.280 -0.162 72.714 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.054 0.638 75.168 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.179 1.619 74.250 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.077 2.877 74.636 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.291 2.578 72.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.042 2.018 74.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.582 1.095 72.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.834 0.540 74.448 1.00 0.00 H new ATOM 1030 N HIS A 67 10.953 -1.358 76.189 1.00 0.00 N ATOM 1031 CA HIS A 67 11.309 -0.853 77.544 1.00 0.00 C ATOM 1032 C HIS A 67 12.785 -0.478 77.572 1.00 0.00 C ATOM 1033 O HIS A 67 13.268 0.117 78.516 1.00 0.00 O ATOM 1034 CB HIS A 67 11.060 -1.964 78.562 1.00 0.00 C ATOM 1035 CG HIS A 67 9.593 -2.250 78.664 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.878 -3.408 78.499 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.667 -1.272 78.988 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 7.526 -3.158 78.717 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.454 -1.856 79.007 1.00 0.00 N flip ATOM 0 H HIS A 67 10.909 -2.374 76.113 1.00 0.00 H new ATOM 0 HA HIS A 67 10.704 0.022 77.784 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.594 -2.866 78.265 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.449 -1.669 79.536 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.879 -0.232 79.189 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.711 -3.864 78.663 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.586 -1.364 79.217 1.00 0.00 H new ATOM 1047 N HIS A 68 13.510 -0.818 76.548 1.00 0.00 N ATOM 1048 CA HIS A 68 14.954 -0.477 76.524 1.00 0.00 C ATOM 1049 C HIS A 68 15.591 -0.837 77.873 1.00 0.00 C ATOM 1050 O HIS A 68 16.624 -0.309 78.238 1.00 0.00 O ATOM 1051 CB HIS A 68 15.106 1.024 76.259 1.00 0.00 C ATOM 1052 CG HIS A 68 16.552 1.362 76.006 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.259 0.847 74.931 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.430 2.174 76.677 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.505 1.350 74.988 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.661 2.167 76.032 1.00 0.00 N ATOM 0 H HIS A 68 13.165 -1.317 75.728 1.00 0.00 H new ATOM 0 HA HIS A 68 15.455 -1.040 75.736 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.501 1.312 75.399 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.736 1.591 77.113 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.200 2.734 77.571 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.284 1.121 74.276 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.503 2.677 76.299 1.00 0.00 H new ATOM 1064 N ILE A 69 15.002 -1.745 78.619 1.00 0.00 N ATOM 1065 CA ILE A 69 15.614 -2.118 79.926 1.00 0.00 C ATOM 1066 C ILE A 69 15.186 -3.522 80.350 1.00 0.00 C ATOM 1067 O ILE A 69 14.184 -4.053 79.921 1.00 0.00 O ATOM 1068 CB ILE A 69 15.213 -1.100 81.011 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.472 -0.600 81.727 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.258 -1.728 82.036 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.180 -1.755 82.461 1.00 0.00 C ATOM 0 H ILE A 69 14.139 -2.234 78.381 1.00 0.00 H new ATOM 0 HA ILE A 69 16.697 -2.109 79.807 1.00 0.00 H new ATOM 0 HB ILE A 69 14.699 -0.269 80.529 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.153 -0.151 81.004 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.205 0.180 82.440 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.993 -0.986 82.789 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.355 -2.070 81.530 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.747 -2.575 82.518 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.071 -1.376 82.962 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.504 -2.185 83.200 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.467 -2.522 81.741 1.00 0.00 H new ATOM 1083 N THR A 70 15.957 -4.100 81.222 1.00 0.00 N ATOM 1084 CA THR A 70 15.660 -5.443 81.749 1.00 0.00 C ATOM 1085 C THR A 70 15.262 -5.259 83.215 1.00 0.00 C ATOM 1086 O THR A 70 15.520 -4.221 83.789 1.00 0.00 O ATOM 1087 CB THR A 70 16.906 -6.310 81.584 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.951 -7.291 82.600 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.140 -5.409 81.642 1.00 0.00 C ATOM 0 H THR A 70 16.806 -3.678 81.599 1.00 0.00 H new ATOM 0 HA THR A 70 14.847 -5.941 81.221 1.00 0.00 H new ATOM 0 HB THR A 70 16.881 -6.824 80.623 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.897 -8.182 82.197 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.039 -6.015 81.525 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.092 -4.673 80.839 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.171 -4.895 82.603 1.00 0.00 H new ATOM 1097 N PRO A 71 14.575 -6.214 83.769 1.00 0.00 N ATOM 1098 CA PRO A 71 14.054 -6.100 85.146 1.00 0.00 C ATOM 1099 C PRO A 71 15.139 -6.134 86.242 1.00 0.00 C ATOM 1100 O PRO A 71 14.861 -5.777 87.368 1.00 0.00 O ATOM 1101 CB PRO A 71 13.085 -7.292 85.266 1.00 0.00 C ATOM 1102 CG PRO A 71 12.942 -7.878 83.839 1.00 0.00 C ATOM 1103 CD PRO A 71 14.222 -7.480 83.110 1.00 0.00 C ATOM 0 HA PRO A 71 13.580 -5.132 85.306 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.472 -8.041 85.957 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.118 -6.970 85.653 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.827 -8.962 83.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.062 -7.478 83.336 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.005 -8.230 83.223 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.058 -7.350 82.040 1.00 0.00 H new ATOM 1111 N LEU A 72 16.354 -6.550 85.987 1.00 0.00 N ATOM 1112 CA LEU A 72 17.320 -6.538 87.126 1.00 0.00 C ATOM 1113 C LEU A 72 17.413 -5.111 87.676 1.00 0.00 C ATOM 1114 O LEU A 72 17.459 -4.903 88.874 1.00 0.00 O ATOM 1115 CB LEU A 72 18.751 -7.011 86.759 1.00 0.00 C ATOM 1116 CG LEU A 72 18.836 -7.869 85.480 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.689 -8.885 85.387 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.848 -6.962 84.250 1.00 0.00 C ATOM 0 H LEU A 72 16.706 -6.881 85.089 1.00 0.00 H new ATOM 0 HA LEU A 72 16.935 -7.246 87.859 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.388 -6.135 86.636 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.155 -7.585 87.593 1.00 0.00 H new ATOM 0 HG LEU A 72 19.764 -8.439 85.522 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.791 -9.466 84.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.725 -9.554 86.247 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.735 -8.357 85.378 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.908 -7.572 83.349 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.934 -6.369 84.226 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.711 -6.297 84.296 1.00 0.00 H new ATOM 1130 N LEU A 73 17.441 -4.123 86.824 1.00 0.00 N ATOM 1131 CA LEU A 73 17.532 -2.722 87.335 1.00 0.00 C ATOM 1132 C LEU A 73 16.212 -2.330 87.970 1.00 0.00 C ATOM 1133 O LEU A 73 16.140 -1.437 88.788 1.00 0.00 O ATOM 1134 CB LEU A 73 17.876 -1.764 86.204 1.00 0.00 C ATOM 1135 CG LEU A 73 19.176 -2.230 85.547 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.875 -3.298 84.484 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.869 -1.031 84.899 1.00 0.00 C ATOM 0 H LEU A 73 17.405 -4.220 85.809 1.00 0.00 H new ATOM 0 HA LEU A 73 18.323 -2.666 88.083 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.070 -1.739 85.471 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.989 -0.750 86.588 1.00 0.00 H new ATOM 0 HG LEU A 73 19.830 -2.664 86.303 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.807 -3.624 84.022 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.385 -4.151 84.954 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.219 -2.878 83.722 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.797 -1.357 84.429 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.213 -0.596 84.145 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.092 -0.284 85.661 1.00 0.00 H new ATOM 1149 N SER A 74 15.162 -2.997 87.617 1.00 0.00 N ATOM 1150 CA SER A 74 13.863 -2.659 88.226 1.00 0.00 C ATOM 1151 C SER A 74 13.981 -2.819 89.751 1.00 0.00 C ATOM 1152 O SER A 74 13.597 -1.948 90.512 1.00 0.00 O ATOM 1153 CB SER A 74 12.782 -3.578 87.654 1.00 0.00 C ATOM 1154 OG SER A 74 11.531 -3.276 88.252 1.00 0.00 O ATOM 0 H SER A 74 15.147 -3.757 86.937 1.00 0.00 H new ATOM 0 HA SER A 74 13.586 -1.629 88.001 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.719 -3.452 86.573 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.042 -4.620 87.839 1.00 0.00 H new ATOM 0 HG SER A 74 10.884 -3.040 87.555 1.00 0.00 H new ATOM 1160 N ALA A 75 14.529 -3.916 90.206 1.00 0.00 N ATOM 1161 CA ALA A 75 14.680 -4.119 91.686 1.00 0.00 C ATOM 1162 C ALA A 75 15.767 -3.191 92.243 1.00 0.00 C ATOM 1163 O ALA A 75 15.682 -2.719 93.361 1.00 0.00 O ATOM 1164 CB ALA A 75 15.056 -5.572 91.973 1.00 0.00 C ATOM 0 H ALA A 75 14.878 -4.678 89.625 1.00 0.00 H new ATOM 0 HA ALA A 75 13.731 -3.885 92.169 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.164 -5.714 93.048 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.274 -6.231 91.597 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.998 -5.808 91.479 1.00 0.00 H new ATOM 1170 N VAL A 76 16.788 -2.938 91.476 1.00 0.00 N ATOM 1171 CA VAL A 76 17.893 -2.051 91.947 1.00 0.00 C ATOM 1172 C VAL A 76 17.302 -0.829 92.668 1.00 0.00 C ATOM 1173 O VAL A 76 17.493 -0.656 93.855 1.00 0.00 O ATOM 1174 CB VAL A 76 18.734 -1.652 90.725 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.702 -0.509 91.046 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.541 -2.877 90.283 1.00 0.00 C ATOM 0 H VAL A 76 16.908 -3.310 90.534 1.00 0.00 H new ATOM 0 HA VAL A 76 18.536 -2.564 92.662 1.00 0.00 H new ATOM 0 HB VAL A 76 18.063 -1.308 89.938 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.277 -0.258 90.155 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.138 0.365 91.372 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.381 -0.819 91.840 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.148 -2.619 89.415 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.191 -3.198 91.097 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.860 -3.687 90.022 1.00 0.00 H new ATOM 1186 N TYR A 77 16.574 0.006 91.984 1.00 0.00 N ATOM 1187 CA TYR A 77 15.965 1.186 92.665 1.00 0.00 C ATOM 1188 C TYR A 77 14.744 0.724 93.472 1.00 0.00 C ATOM 1189 O TYR A 77 13.696 1.337 93.429 1.00 0.00 O ATOM 1190 CB TYR A 77 15.533 2.210 91.609 1.00 0.00 C ATOM 1191 CG TYR A 77 16.358 2.025 90.356 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.612 2.638 90.248 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.866 1.243 89.303 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.374 2.470 89.088 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.628 1.074 88.141 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.883 1.687 88.033 1.00 0.00 C ATOM 1197 OH TYR A 77 18.644 1.514 86.893 1.00 0.00 O ATOM 0 H TYR A 77 16.373 -0.074 90.987 1.00 0.00 H new ATOM 0 HA TYR A 77 16.690 1.645 93.336 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.474 2.087 91.381 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.661 3.221 91.995 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.991 3.240 91.060 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.899 0.770 89.388 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.341 2.943 89.004 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.249 0.472 87.329 1.00 0.00 H new ATOM 0 HH TYR A 77 18.064 1.549 86.104 1.00 0.00 H new ATOM 1207 N GLU A 78 14.866 -0.359 94.198 1.00 0.00 N ATOM 1208 CA GLU A 78 13.704 -0.866 94.994 1.00 0.00 C ATOM 1209 C GLU A 78 14.116 -1.093 96.453 1.00 0.00 C ATOM 1210 O GLU A 78 13.290 -1.123 97.344 1.00 0.00 O ATOM 1211 CB GLU A 78 13.242 -2.200 94.397 1.00 0.00 C ATOM 1212 CG GLU A 78 11.795 -2.478 94.792 1.00 0.00 C ATOM 1213 CD GLU A 78 11.500 -3.964 94.583 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.976 -4.509 93.601 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.801 -4.532 95.404 1.00 0.00 O ATOM 0 H GLU A 78 15.718 -0.914 94.275 1.00 0.00 H new ATOM 0 HA GLU A 78 12.900 -0.131 94.961 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.332 -2.172 93.311 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.885 -3.007 94.749 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.630 -2.204 95.834 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.117 -1.871 94.191 1.00 0.00 H new ATOM 1222 N GLY A 79 15.378 -1.288 96.705 1.00 0.00 N ATOM 1223 CA GLY A 79 15.815 -1.556 98.100 1.00 0.00 C ATOM 1224 C GLY A 79 15.672 -3.059 98.342 1.00 0.00 C ATOM 1225 O GLY A 79 16.076 -3.584 99.361 1.00 0.00 O ATOM 0 H GLY A 79 16.123 -1.274 96.008 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.848 -1.240 98.246 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.206 -0.993 98.808 1.00 0.00 H new ATOM 1229 N HIS A 80 15.103 -3.753 97.390 1.00 0.00 N ATOM 1230 CA HIS A 80 14.932 -5.225 97.535 1.00 0.00 C ATOM 1231 C HIS A 80 16.251 -5.907 97.177 1.00 0.00 C ATOM 1232 O HIS A 80 16.851 -6.593 97.985 1.00 0.00 O ATOM 1233 CB HIS A 80 13.831 -5.692 96.572 1.00 0.00 C ATOM 1234 CG HIS A 80 12.492 -5.601 97.254 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.679 -6.708 97.428 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.814 -4.547 97.820 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.571 -6.305 98.078 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.603 -4.994 98.342 1.00 0.00 N ATOM 0 H HIS A 80 14.749 -3.360 96.517 1.00 0.00 H new ATOM 0 HA HIS A 80 14.653 -5.479 98.558 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.835 -5.076 95.673 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.021 -6.718 96.257 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.167 -3.527 97.854 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.757 -6.959 98.352 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.893 -4.441 98.822 1.00 0.00 H new ATOM 1246 N VAL A 81 16.702 -5.709 95.964 1.00 0.00 N ATOM 1247 CA VAL A 81 17.984 -6.314 95.500 1.00 0.00 C ATOM 1248 C VAL A 81 18.206 -7.702 96.109 1.00 0.00 C ATOM 1249 O VAL A 81 19.286 -8.265 96.036 1.00 0.00 O ATOM 1250 CB VAL A 81 19.147 -5.352 95.790 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.240 -4.342 94.637 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.880 -4.581 97.090 1.00 0.00 C ATOM 0 H VAL A 81 16.225 -5.142 95.263 1.00 0.00 H new ATOM 0 HA VAL A 81 17.933 -6.465 94.422 1.00 0.00 H new ATOM 0 HB VAL A 81 20.072 -5.920 95.888 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.061 -3.650 94.825 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.420 -4.873 93.702 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.306 -3.786 94.564 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.709 -3.902 97.287 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.958 -4.008 96.991 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.783 -5.285 97.917 1.00 0.00 H new ATOM 1262 N SER A 82 17.164 -8.294 96.621 1.00 0.00 N ATOM 1263 CA SER A 82 17.276 -9.684 97.124 1.00 0.00 C ATOM 1264 C SER A 82 17.074 -10.549 95.888 1.00 0.00 C ATOM 1265 O SER A 82 17.489 -11.690 95.812 1.00 0.00 O ATOM 1266 CB SER A 82 16.193 -9.962 98.178 1.00 0.00 C ATOM 1267 OG SER A 82 16.771 -10.652 99.280 1.00 0.00 O ATOM 0 H SER A 82 16.240 -7.872 96.712 1.00 0.00 H new ATOM 0 HA SER A 82 18.231 -9.881 97.611 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.748 -9.025 98.514 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.391 -10.557 97.742 1.00 0.00 H new ATOM 0 HG SER A 82 16.081 -10.828 99.954 1.00 0.00 H new ATOM 1273 N CYS A 83 16.440 -9.960 94.902 1.00 0.00 N ATOM 1274 CA CYS A 83 16.185 -10.657 93.614 1.00 0.00 C ATOM 1275 C CYS A 83 17.442 -10.553 92.740 1.00 0.00 C ATOM 1276 O CYS A 83 17.990 -11.545 92.315 1.00 0.00 O ATOM 1277 CB CYS A 83 14.997 -9.984 92.909 1.00 0.00 C ATOM 1278 SG CYS A 83 14.944 -8.227 93.350 1.00 0.00 S ATOM 0 H CYS A 83 16.084 -9.005 94.943 1.00 0.00 H new ATOM 0 HA CYS A 83 15.951 -11.707 93.788 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.092 -10.095 91.829 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.066 -10.470 93.199 1.00 0.00 H new ATOM 0 HG CYS A 83 13.787 -7.732 93.022 1.00 0.00 H new ATOM 1284 N VAL A 84 17.917 -9.356 92.485 1.00 0.00 N ATOM 1285 CA VAL A 84 19.155 -9.202 91.655 1.00 0.00 C ATOM 1286 C VAL A 84 20.133 -10.315 92.018 1.00 0.00 C ATOM 1287 O VAL A 84 20.768 -10.914 91.173 1.00 0.00 O ATOM 1288 CB VAL A 84 19.834 -7.875 91.972 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.930 -6.709 91.576 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.135 -7.820 93.469 1.00 0.00 C ATOM 0 H VAL A 84 17.503 -8.483 92.814 1.00 0.00 H new ATOM 0 HA VAL A 84 18.880 -9.242 90.601 1.00 0.00 H new ATOM 0 HB VAL A 84 20.762 -7.796 91.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.428 -5.768 91.808 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.723 -6.756 90.507 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.993 -6.770 92.130 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.621 -6.874 93.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.204 -7.901 94.030 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.794 -8.645 93.738 1.00 0.00 H new ATOM 1300 N LYS A 85 20.258 -10.576 93.286 1.00 0.00 N ATOM 1301 CA LYS A 85 21.189 -11.628 93.761 1.00 0.00 C ATOM 1302 C LYS A 85 20.942 -12.943 93.000 1.00 0.00 C ATOM 1303 O LYS A 85 21.681 -13.305 92.099 1.00 0.00 O ATOM 1304 CB LYS A 85 20.943 -11.838 95.261 1.00 0.00 C ATOM 1305 CG LYS A 85 21.437 -10.618 96.057 1.00 0.00 C ATOM 1306 CD LYS A 85 22.494 -11.050 97.082 1.00 0.00 C ATOM 1307 CE LYS A 85 23.841 -11.269 96.384 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.529 -9.958 96.204 1.00 0.00 N ATOM 0 H LYS A 85 19.745 -10.095 94.025 1.00 0.00 H new ATOM 0 HA LYS A 85 22.220 -11.322 93.584 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.880 -11.994 95.444 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.460 -12.736 95.599 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.859 -9.877 95.378 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.599 -10.142 96.566 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.595 -10.289 97.855 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.178 -11.968 97.578 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.464 -11.940 96.975 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.687 -11.747 95.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.443 -10.108 95.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.936 -9.332 95.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.689 -9.519 97.133 1.00 0.00 H new ATOM 1322 N LEU A 86 19.918 -13.669 93.367 1.00 0.00 N ATOM 1323 CA LEU A 86 19.628 -14.965 92.682 1.00 0.00 C ATOM 1324 C LEU A 86 19.243 -14.727 91.212 1.00 0.00 C ATOM 1325 O LEU A 86 18.931 -15.642 90.481 1.00 0.00 O ATOM 1326 CB LEU A 86 18.558 -15.732 93.500 1.00 0.00 C ATOM 1327 CG LEU A 86 17.133 -15.663 92.912 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.759 -14.236 92.502 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.994 -16.617 91.717 1.00 0.00 C ATOM 0 H LEU A 86 19.268 -13.420 94.113 1.00 0.00 H new ATOM 0 HA LEU A 86 20.518 -15.593 92.646 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.856 -16.778 93.575 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.539 -15.333 94.514 1.00 0.00 H new ATOM 0 HG LEU A 86 16.441 -15.976 93.694 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.749 -14.228 92.093 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.802 -13.584 93.374 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.459 -13.879 91.747 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.982 -16.554 91.317 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.709 -16.337 90.943 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.192 -17.638 92.042 1.00 0.00 H new ATOM 1341 N LEU A 87 19.292 -13.495 90.767 1.00 0.00 N ATOM 1342 CA LEU A 87 18.948 -13.184 89.346 1.00 0.00 C ATOM 1343 C LEU A 87 20.113 -13.534 88.405 1.00 0.00 C ATOM 1344 O LEU A 87 20.034 -14.476 87.645 1.00 0.00 O ATOM 1345 CB LEU A 87 18.654 -11.690 89.225 1.00 0.00 C ATOM 1346 CG LEU A 87 17.301 -11.465 88.552 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.996 -9.970 88.526 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.343 -12.007 87.122 1.00 0.00 C ATOM 0 H LEU A 87 19.557 -12.688 91.331 1.00 0.00 H new ATOM 0 HA LEU A 87 18.079 -13.777 89.062 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.656 -11.231 90.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.440 -11.204 88.647 1.00 0.00 H new ATOM 0 HG LEU A 87 16.523 -11.987 89.110 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.031 -9.804 88.047 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.965 -9.587 89.546 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.774 -9.450 87.967 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.377 -11.846 86.643 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.118 -11.488 86.559 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.563 -13.074 87.144 1.00 0.00 H new ATOM 1360 N LEU A 88 21.181 -12.765 88.409 1.00 0.00 N ATOM 1361 CA LEU A 88 22.290 -13.080 87.466 1.00 0.00 C ATOM 1362 C LEU A 88 22.722 -14.527 87.647 1.00 0.00 C ATOM 1363 O LEU A 88 23.390 -15.095 86.808 1.00 0.00 O ATOM 1364 CB LEU A 88 23.485 -12.122 87.618 1.00 0.00 C ATOM 1365 CG LEU A 88 24.261 -12.332 88.930 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.304 -12.375 90.113 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.078 -13.631 88.877 1.00 0.00 C ATOM 0 H LEU A 88 21.325 -11.954 89.011 1.00 0.00 H new ATOM 0 HA LEU A 88 21.914 -12.940 86.453 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.163 -12.259 86.776 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.127 -11.093 87.575 1.00 0.00 H new ATOM 0 HG LEU A 88 24.945 -11.492 89.055 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.869 -12.524 91.033 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.756 -11.435 90.172 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.600 -13.197 89.982 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.619 -13.759 89.815 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.407 -14.477 88.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.789 -13.580 88.052 1.00 0.00 H new ATOM 1379 N SER A 89 22.314 -15.149 88.712 1.00 0.00 N ATOM 1380 CA SER A 89 22.675 -16.576 88.897 1.00 0.00 C ATOM 1381 C SER A 89 22.130 -17.354 87.694 1.00 0.00 C ATOM 1382 O SER A 89 22.587 -18.436 87.379 1.00 0.00 O ATOM 1383 CB SER A 89 22.046 -17.107 90.187 1.00 0.00 C ATOM 1384 OG SER A 89 22.945 -16.903 91.267 1.00 0.00 O ATOM 0 H SER A 89 21.752 -14.736 89.456 1.00 0.00 H new ATOM 0 HA SER A 89 23.757 -16.691 88.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.103 -16.596 90.382 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.818 -18.168 90.084 1.00 0.00 H new ATOM 0 HG SER A 89 22.544 -17.241 92.095 1.00 0.00 H new ATOM 1390 N LYS A 90 21.159 -16.792 87.012 1.00 0.00 N ATOM 1391 CA LYS A 90 20.580 -17.472 85.818 1.00 0.00 C ATOM 1392 C LYS A 90 21.192 -16.861 84.564 1.00 0.00 C ATOM 1393 O LYS A 90 21.142 -17.429 83.493 1.00 0.00 O ATOM 1394 CB LYS A 90 19.069 -17.227 85.775 1.00 0.00 C ATOM 1395 CG LYS A 90 18.376 -17.961 86.929 1.00 0.00 C ATOM 1396 CD LYS A 90 17.951 -16.958 88.013 1.00 0.00 C ATOM 1397 CE LYS A 90 16.669 -16.228 87.581 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.287 -15.230 88.618 1.00 0.00 N ATOM 0 H LYS A 90 20.744 -15.888 87.235 1.00 0.00 H new ATOM 0 HA LYS A 90 20.787 -18.541 85.871 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.865 -16.158 85.841 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.665 -17.570 84.822 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.503 -18.498 86.557 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.050 -18.704 87.355 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.783 -17.479 88.956 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.750 -16.236 88.186 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.827 -15.730 86.624 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.861 -16.945 87.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.334 -15.446 88.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.967 -15.269 89.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.293 -14.277 88.202 1.00 0.00 H new ATOM 1412 N GLY A 91 21.769 -15.698 84.697 1.00 0.00 N ATOM 1413 CA GLY A 91 22.387 -15.020 83.525 1.00 0.00 C ATOM 1414 C GLY A 91 22.121 -13.515 83.605 1.00 0.00 C ATOM 1415 O GLY A 91 22.795 -12.793 84.314 1.00 0.00 O ATOM 0 H GLY A 91 21.839 -15.185 85.576 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.460 -15.210 83.506 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.976 -15.424 82.600 1.00 0.00 H new ATOM 1419 N ALA A 92 21.137 -13.039 82.887 1.00 0.00 N ATOM 1420 CA ALA A 92 20.815 -11.582 82.915 1.00 0.00 C ATOM 1421 C ALA A 92 22.103 -10.756 82.867 1.00 0.00 C ATOM 1422 O ALA A 92 22.090 -9.568 83.125 1.00 0.00 O ATOM 1423 CB ALA A 92 20.056 -11.261 84.209 1.00 0.00 C ATOM 0 H ALA A 92 20.540 -13.600 82.280 1.00 0.00 H new ATOM 0 HA ALA A 92 20.201 -11.334 82.049 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.817 -10.198 84.237 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.134 -11.841 84.243 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.677 -11.516 85.068 1.00 0.00 H new ATOM 1429 N ASP A 93 23.215 -11.369 82.551 1.00 0.00 N ATOM 1430 CA ASP A 93 24.502 -10.607 82.509 1.00 0.00 C ATOM 1431 C ASP A 93 24.434 -9.471 83.536 1.00 0.00 C ATOM 1432 O ASP A 93 24.408 -9.700 84.729 1.00 0.00 O ATOM 1433 CB ASP A 93 24.725 -10.033 81.100 1.00 0.00 C ATOM 1434 CG ASP A 93 26.130 -9.432 81.004 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.952 -9.748 81.849 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.361 -8.665 80.084 1.00 0.00 O ATOM 0 H ASP A 93 23.289 -12.360 82.321 1.00 0.00 H new ATOM 0 HA ASP A 93 25.334 -11.270 82.748 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.603 -10.818 80.354 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.977 -9.270 80.885 1.00 0.00 H new ATOM 1441 N LYS A 94 24.370 -8.256 83.083 1.00 0.00 N ATOM 1442 CA LYS A 94 24.259 -7.106 84.019 1.00 0.00 C ATOM 1443 C LYS A 94 23.826 -5.882 83.212 1.00 0.00 C ATOM 1444 O LYS A 94 23.105 -5.029 83.692 1.00 0.00 O ATOM 1445 CB LYS A 94 25.585 -6.873 84.747 1.00 0.00 C ATOM 1446 CG LYS A 94 26.760 -6.980 83.773 1.00 0.00 C ATOM 1447 CD LYS A 94 27.755 -5.844 84.041 1.00 0.00 C ATOM 1448 CE LYS A 94 27.154 -4.527 83.555 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.225 -3.506 83.421 1.00 0.00 N ATOM 0 H LYS A 94 24.390 -8.006 82.094 1.00 0.00 H new ATOM 0 HA LYS A 94 23.515 -7.309 84.790 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.581 -5.888 85.214 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.701 -7.605 85.547 1.00 0.00 H new ATOM 0 HG2 LYS A 94 27.254 -7.945 83.888 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.400 -6.927 82.746 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.979 -5.784 85.106 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.696 -6.040 83.527 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.657 -4.675 82.596 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.395 -4.182 84.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.812 -2.611 83.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.680 -3.357 84.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.934 -3.835 82.735 1.00 0.00 H new ATOM 1463 N THR A 95 24.217 -5.823 81.965 1.00 0.00 N ATOM 1464 CA THR A 95 23.783 -4.698 81.088 1.00 0.00 C ATOM 1465 C THR A 95 23.164 -5.311 79.839 1.00 0.00 C ATOM 1466 O THR A 95 23.583 -5.051 78.729 1.00 0.00 O ATOM 1467 CB THR A 95 24.970 -3.820 80.678 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.124 -4.624 80.504 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.234 -2.767 81.751 1.00 0.00 C ATOM 0 H THR A 95 24.822 -6.510 81.515 1.00 0.00 H new ATOM 0 HA THR A 95 23.073 -4.069 81.626 1.00 0.00 H new ATOM 0 HB THR A 95 24.734 -3.321 79.738 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.880 -4.059 80.240 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.079 -2.147 81.452 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.350 -2.141 81.872 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.462 -3.260 82.696 1.00 0.00 H new ATOM 1477 N VAL A 96 22.176 -6.144 80.010 1.00 0.00 N ATOM 1478 CA VAL A 96 21.549 -6.787 78.833 1.00 0.00 C ATOM 1479 C VAL A 96 20.749 -5.736 78.053 1.00 0.00 C ATOM 1480 O VAL A 96 20.372 -5.960 76.918 1.00 0.00 O ATOM 1481 CB VAL A 96 20.605 -7.903 79.308 1.00 0.00 C ATOM 1482 CG1 VAL A 96 19.916 -8.543 78.102 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.394 -8.979 80.062 1.00 0.00 C ATOM 0 H VAL A 96 21.780 -6.404 80.913 1.00 0.00 H new ATOM 0 HA VAL A 96 22.319 -7.212 78.189 1.00 0.00 H new ATOM 0 HB VAL A 96 19.859 -7.469 79.974 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.247 -9.334 78.442 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.341 -7.787 77.568 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.668 -8.965 77.435 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.714 -9.764 80.393 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.148 -9.407 79.402 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.882 -8.532 80.928 1.00 0.00 H new ATOM 1493 N LYS A 97 20.491 -4.584 78.634 1.00 0.00 N ATOM 1494 CA LYS A 97 19.726 -3.555 77.872 1.00 0.00 C ATOM 1495 C LYS A 97 19.743 -2.171 78.558 1.00 0.00 C ATOM 1496 O LYS A 97 19.109 -1.243 78.095 1.00 0.00 O ATOM 1497 CB LYS A 97 18.289 -4.045 77.714 1.00 0.00 C ATOM 1498 CG LYS A 97 17.665 -3.440 76.448 1.00 0.00 C ATOM 1499 CD LYS A 97 16.646 -4.416 75.841 1.00 0.00 C ATOM 1500 CE LYS A 97 17.351 -5.375 74.872 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.435 -6.506 74.538 1.00 0.00 N ATOM 0 H LYS A 97 20.771 -4.321 79.579 1.00 0.00 H new ATOM 0 HA LYS A 97 20.202 -3.424 76.900 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.271 -5.133 77.654 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.702 -3.765 78.589 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.176 -2.496 76.690 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.445 -3.218 75.720 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.155 -4.982 76.633 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.868 -3.862 75.316 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.639 -4.845 73.964 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.268 -5.756 75.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.643 -6.850 73.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.574 -7.278 75.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.449 -6.179 74.582 1.00 0.00 H new ATOM 1515 N GLY A 98 20.451 -1.999 79.643 1.00 0.00 N ATOM 1516 CA GLY A 98 20.463 -0.650 80.299 1.00 0.00 C ATOM 1517 C GLY A 98 21.232 0.332 79.413 1.00 0.00 C ATOM 1518 O GLY A 98 21.875 -0.082 78.469 1.00 0.00 O ATOM 0 H GLY A 98 21.013 -2.717 80.100 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.443 -0.298 80.453 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.930 -0.714 81.282 1.00 0.00 H new ATOM 1522 N PRO A 99 21.166 1.604 79.742 1.00 0.00 N ATOM 1523 CA PRO A 99 21.879 2.633 78.967 1.00 0.00 C ATOM 1524 C PRO A 99 23.318 2.200 78.779 1.00 0.00 C ATOM 1525 O PRO A 99 23.733 1.814 77.706 1.00 0.00 O ATOM 1526 CB PRO A 99 21.794 3.903 79.830 1.00 0.00 C ATOM 1527 CG PRO A 99 20.890 3.578 81.051 1.00 0.00 C ATOM 1528 CD PRO A 99 20.410 2.118 80.903 1.00 0.00 C ATOM 0 HA PRO A 99 21.456 2.797 77.976 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.787 4.210 80.159 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.379 4.730 79.255 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.443 3.706 81.981 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.039 4.258 81.089 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.617 1.538 81.802 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.335 2.068 80.732 1.00 0.00 H new ATOM 1536 N ASP A 100 24.077 2.247 79.822 1.00 0.00 N ATOM 1537 CA ASP A 100 25.486 1.818 79.724 1.00 0.00 C ATOM 1538 C ASP A 100 25.894 1.237 81.070 1.00 0.00 C ATOM 1539 O ASP A 100 25.183 0.442 81.658 1.00 0.00 O ATOM 1540 CB ASP A 100 26.369 3.019 79.371 1.00 0.00 C ATOM 1541 CG ASP A 100 27.759 2.534 78.947 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.038 1.359 79.129 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.516 3.345 78.443 1.00 0.00 O ATOM 0 H ASP A 100 23.782 2.566 80.745 1.00 0.00 H new ATOM 0 HA ASP A 100 25.605 1.067 78.943 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.913 3.593 78.565 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.452 3.686 80.229 1.00 0.00 H new ATOM 1548 N GLY A 101 27.021 1.624 81.567 1.00 0.00 N ATOM 1549 CA GLY A 101 27.474 1.088 82.880 1.00 0.00 C ATOM 1550 C GLY A 101 26.472 1.469 83.978 1.00 0.00 C ATOM 1551 O GLY A 101 26.696 1.222 85.152 1.00 0.00 O ATOM 0 H GLY A 101 27.655 2.290 81.126 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.571 0.004 82.825 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.460 1.484 83.123 1.00 0.00 H new ATOM 1555 N LEU A 102 25.358 2.058 83.622 1.00 0.00 N ATOM 1556 CA LEU A 102 24.374 2.428 84.676 1.00 0.00 C ATOM 1557 C LEU A 102 24.144 1.215 85.535 1.00 0.00 C ATOM 1558 O LEU A 102 24.490 1.201 86.698 1.00 0.00 O ATOM 1559 CB LEU A 102 23.033 2.870 84.063 1.00 0.00 C ATOM 1560 CG LEU A 102 22.051 3.389 85.147 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.713 3.747 84.496 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.783 2.336 86.232 1.00 0.00 C ATOM 0 H LEU A 102 25.093 2.294 82.666 1.00 0.00 H new ATOM 0 HA LEU A 102 24.768 3.262 85.257 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.210 3.654 83.327 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.581 2.032 83.533 1.00 0.00 H new ATOM 0 HG LEU A 102 22.513 4.261 85.610 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.024 4.111 85.258 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.869 4.523 83.747 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.292 2.862 84.019 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.091 2.742 86.970 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.347 1.447 85.776 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.720 2.071 86.721 1.00 0.00 H new ATOM 1574 N THR A 103 23.534 0.200 84.989 1.00 0.00 N ATOM 1575 CA THR A 103 23.259 -0.991 85.819 1.00 0.00 C ATOM 1576 C THR A 103 23.295 -0.558 87.281 1.00 0.00 C ATOM 1577 O THR A 103 22.460 0.199 87.744 1.00 0.00 O ATOM 1578 CB THR A 103 24.304 -2.086 85.568 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.356 -2.959 86.692 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.685 -1.467 85.363 1.00 0.00 C ATOM 0 H THR A 103 23.221 0.149 84.020 1.00 0.00 H new ATOM 0 HA THR A 103 22.283 -1.403 85.563 1.00 0.00 H new ATOM 0 HB THR A 103 24.020 -2.639 84.673 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.282 -3.239 86.846 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.415 -2.257 85.186 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.660 -0.797 84.503 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.967 -0.905 86.253 1.00 0.00 H new ATOM 1588 N ALA A 104 24.264 -1.010 88.002 1.00 0.00 N ATOM 1589 CA ALA A 104 24.359 -0.638 89.436 1.00 0.00 C ATOM 1590 C ALA A 104 25.234 0.616 89.633 1.00 0.00 C ATOM 1591 O ALA A 104 25.094 1.335 90.608 1.00 0.00 O ATOM 1592 CB ALA A 104 24.987 -1.820 90.181 1.00 0.00 C ATOM 0 H ALA A 104 25.003 -1.626 87.663 1.00 0.00 H new ATOM 0 HA ALA A 104 23.364 -0.411 89.819 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.071 -1.579 91.241 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.359 -2.702 90.059 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.978 -2.021 89.775 1.00 0.00 H new ATOM 1598 N LEU A 105 26.164 0.860 88.746 1.00 0.00 N ATOM 1599 CA LEU A 105 27.090 2.016 88.917 1.00 0.00 C ATOM 1600 C LEU A 105 26.357 3.349 89.061 1.00 0.00 C ATOM 1601 O LEU A 105 26.380 3.972 90.106 1.00 0.00 O ATOM 1602 CB LEU A 105 27.998 2.126 87.703 1.00 0.00 C ATOM 1603 CG LEU A 105 28.555 0.761 87.312 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.528 0.948 86.151 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.286 0.132 88.505 1.00 0.00 C ATOM 0 H LEU A 105 26.321 0.304 87.906 1.00 0.00 H new ATOM 0 HA LEU A 105 27.652 1.827 89.832 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.443 2.549 86.866 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.819 2.810 87.919 1.00 0.00 H new ATOM 0 HG LEU A 105 27.741 0.100 87.015 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.936 -0.020 85.859 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.004 1.391 85.305 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.340 1.606 86.459 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.681 -0.842 88.217 1.00 0.00 H new ATOM 0 HD22 LEU A 105 30.107 0.780 88.811 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.590 0.011 89.335 1.00 0.00 H new ATOM 1617 N GLU A 106 25.760 3.828 88.008 1.00 0.00 N ATOM 1618 CA GLU A 106 25.093 5.144 88.077 1.00 0.00 C ATOM 1619 C GLU A 106 23.712 4.997 88.714 1.00 0.00 C ATOM 1620 O GLU A 106 22.947 5.940 88.788 1.00 0.00 O ATOM 1621 CB GLU A 106 24.955 5.708 86.663 1.00 0.00 C ATOM 1622 CG GLU A 106 26.292 5.579 85.916 1.00 0.00 C ATOM 1623 CD GLU A 106 27.292 6.606 86.460 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.912 7.364 87.336 1.00 0.00 O ATOM 1625 OE2 GLU A 106 28.420 6.617 85.992 1.00 0.00 O ATOM 0 H GLU A 106 25.708 3.360 87.103 1.00 0.00 H new ATOM 0 HA GLU A 106 25.689 5.823 88.687 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.174 5.173 86.123 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.653 6.754 86.707 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.690 4.571 86.036 1.00 0.00 H new ATOM 0 HG3 GLU A 106 26.139 5.737 84.848 1.00 0.00 H new ATOM 1632 N ALA A 107 23.382 3.820 89.172 1.00 0.00 N ATOM 1633 CA ALA A 107 22.045 3.628 89.793 1.00 0.00 C ATOM 1634 C ALA A 107 21.995 4.186 91.224 1.00 0.00 C ATOM 1635 O ALA A 107 21.029 4.819 91.598 1.00 0.00 O ATOM 1636 CB ALA A 107 21.716 2.139 89.835 1.00 0.00 C ATOM 0 H ALA A 107 23.976 2.991 89.143 1.00 0.00 H new ATOM 0 HA ALA A 107 21.317 4.169 89.188 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.736 1.996 90.290 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.707 1.740 88.821 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.470 1.616 90.424 1.00 0.00 H new ATOM 1642 N THR A 108 22.977 3.933 92.057 1.00 0.00 N ATOM 1643 CA THR A 108 22.855 4.447 93.453 1.00 0.00 C ATOM 1644 C THR A 108 24.198 4.562 94.182 1.00 0.00 C ATOM 1645 O THR A 108 25.237 4.824 93.606 1.00 0.00 O ATOM 1646 CB THR A 108 21.990 3.461 94.223 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.743 3.961 95.530 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.728 2.120 94.308 1.00 0.00 C ATOM 0 H THR A 108 23.827 3.412 91.840 1.00 0.00 H new ATOM 0 HA THR A 108 22.430 5.449 93.402 1.00 0.00 H new ATOM 0 HB THR A 108 21.037 3.325 93.713 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.184 3.325 96.023 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.118 1.403 94.858 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.913 1.742 93.302 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.678 2.260 94.824 1.00 0.00 H new ATOM 1656 N ASP A 109 24.144 4.353 95.479 1.00 0.00 N ATOM 1657 CA ASP A 109 25.354 4.420 96.332 1.00 0.00 C ATOM 1658 C ASP A 109 25.231 3.394 97.474 1.00 0.00 C ATOM 1659 O ASP A 109 26.164 3.190 98.225 1.00 0.00 O ATOM 1660 CB ASP A 109 25.510 5.832 96.909 1.00 0.00 C ATOM 1661 CG ASP A 109 26.802 5.913 97.727 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.622 5.017 97.599 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.955 6.877 98.460 1.00 0.00 O ATOM 0 H ASP A 109 23.285 4.134 95.984 1.00 0.00 H new ATOM 0 HA ASP A 109 26.234 4.188 95.732 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.532 6.565 96.103 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.654 6.075 97.538 1.00 0.00 H new ATOM 1668 N ASN A 110 24.114 2.708 97.590 1.00 0.00 N ATOM 1669 CA ASN A 110 24.018 1.672 98.663 1.00 0.00 C ATOM 1670 C ASN A 110 24.826 0.478 98.154 1.00 0.00 C ATOM 1671 O ASN A 110 24.850 0.204 96.971 1.00 0.00 O ATOM 1672 CB ASN A 110 22.559 1.276 98.955 1.00 0.00 C ATOM 1673 CG ASN A 110 21.821 1.001 97.656 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.480 0.501 96.662 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.632 1.236 97.552 1.00 0.00 N flip ATOM 0 H ASN A 110 23.287 2.819 97.003 1.00 0.00 H new ATOM 0 HA ASN A 110 24.407 2.051 99.608 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.535 0.391 99.590 1.00 0.00 H new ATOM 0 HB3 ASN A 110 22.060 2.075 99.503 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.119 1.630 98.341 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.148 1.039 96.676 1.00 0.00 H new ATOM 1682 N GLN A 111 25.548 -0.173 99.014 1.00 0.00 N ATOM 1683 CA GLN A 111 26.442 -1.282 98.569 1.00 0.00 C ATOM 1684 C GLN A 111 25.689 -2.585 98.199 1.00 0.00 C ATOM 1685 O GLN A 111 26.308 -3.586 97.899 1.00 0.00 O ATOM 1686 CB GLN A 111 27.475 -1.516 99.679 1.00 0.00 C ATOM 1687 CG GLN A 111 28.281 -2.777 99.418 1.00 0.00 C ATOM 1688 CD GLN A 111 29.602 -2.676 100.184 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.293 -1.681 100.097 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.974 -3.656 100.956 1.00 0.00 N ATOM 0 H GLN A 111 25.561 0.014 100.017 1.00 0.00 H new ATOM 0 HA GLN A 111 26.930 -0.985 97.641 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.145 -0.659 99.743 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.968 -1.597 100.641 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.723 -3.656 99.739 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.470 -2.892 98.351 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.396 -4.493 101.032 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.843 -3.587 101.485 1.00 0.00 H new ATOM 1699 N ALA A 112 24.379 -2.598 98.171 1.00 0.00 N ATOM 1700 CA ALA A 112 23.669 -3.859 97.781 1.00 0.00 C ATOM 1701 C ALA A 112 23.538 -3.896 96.260 1.00 0.00 C ATOM 1702 O ALA A 112 23.795 -4.893 95.598 1.00 0.00 O ATOM 1703 CB ALA A 112 22.275 -3.889 98.410 1.00 0.00 C ATOM 0 H ALA A 112 23.778 -1.806 98.397 1.00 0.00 H new ATOM 0 HA ALA A 112 24.235 -4.722 98.132 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.765 -4.808 98.122 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.365 -3.849 99.496 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.700 -3.031 98.061 1.00 0.00 H new ATOM 1709 N ILE A 113 23.181 -2.787 95.712 1.00 0.00 N ATOM 1710 CA ILE A 113 23.051 -2.653 94.239 1.00 0.00 C ATOM 1711 C ILE A 113 24.443 -2.800 93.666 1.00 0.00 C ATOM 1712 O ILE A 113 24.717 -3.604 92.790 1.00 0.00 O ATOM 1713 CB ILE A 113 22.564 -1.232 93.948 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.037 -1.152 93.968 1.00 0.00 C ATOM 1715 CG2 ILE A 113 23.076 -0.769 92.584 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.525 -1.095 95.414 1.00 0.00 C ATOM 0 H ILE A 113 22.966 -1.937 96.233 1.00 0.00 H new ATOM 0 HA ILE A 113 22.366 -3.389 93.819 1.00 0.00 H new ATOM 0 HB ILE A 113 22.956 -0.581 94.730 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.705 -0.269 93.423 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.614 -2.018 93.459 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.723 0.243 92.387 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.166 -0.780 92.581 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.704 -1.439 91.809 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.436 -1.038 95.413 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.841 -1.991 95.947 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.934 -0.215 95.910 1.00 0.00 H new ATOM 1728 N LYS A 114 25.325 -2.011 94.182 1.00 0.00 N ATOM 1729 CA LYS A 114 26.714 -2.053 93.726 1.00 0.00 C ATOM 1730 C LYS A 114 27.193 -3.502 93.819 1.00 0.00 C ATOM 1731 O LYS A 114 28.198 -3.877 93.253 1.00 0.00 O ATOM 1732 CB LYS A 114 27.551 -1.120 94.607 1.00 0.00 C ATOM 1733 CG LYS A 114 26.866 0.254 94.684 1.00 0.00 C ATOM 1734 CD LYS A 114 26.937 0.951 93.322 1.00 0.00 C ATOM 1735 CE LYS A 114 26.592 2.432 93.483 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.773 3.162 94.023 1.00 0.00 N ATOM 0 H LYS A 114 25.132 -1.328 94.914 1.00 0.00 H new ATOM 0 HA LYS A 114 26.812 -1.715 92.694 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.658 -1.543 95.606 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.555 -1.016 94.196 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.826 0.135 94.987 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.350 0.869 95.442 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.936 0.844 92.900 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.244 0.480 92.625 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.298 2.854 92.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.742 2.547 94.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.629 4.186 93.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.889 2.936 95.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.626 2.874 93.503 1.00 0.00 H new ATOM 1750 N ALA A 115 26.455 -4.336 94.511 1.00 0.00 N ATOM 1751 CA ALA A 115 26.850 -5.761 94.603 1.00 0.00 C ATOM 1752 C ALA A 115 26.778 -6.365 93.206 1.00 0.00 C ATOM 1753 O ALA A 115 27.640 -7.106 92.798 1.00 0.00 O ATOM 1754 CB ALA A 115 25.908 -6.523 95.536 1.00 0.00 C ATOM 0 H ALA A 115 25.602 -4.086 95.011 1.00 0.00 H new ATOM 0 HA ALA A 115 27.861 -5.834 95.004 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.215 -7.567 95.590 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.947 -6.082 96.532 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.889 -6.464 95.152 1.00 0.00 H new ATOM 1760 N LEU A 116 25.764 -6.055 92.450 1.00 0.00 N ATOM 1761 CA LEU A 116 25.715 -6.644 91.084 1.00 0.00 C ATOM 1762 C LEU A 116 26.937 -6.147 90.308 1.00 0.00 C ATOM 1763 O LEU A 116 27.371 -6.768 89.356 1.00 0.00 O ATOM 1764 CB LEU A 116 24.418 -6.233 90.355 1.00 0.00 C ATOM 1765 CG LEU A 116 23.430 -7.413 90.300 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.201 -7.018 89.476 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.094 -8.643 89.649 1.00 0.00 C ATOM 0 H LEU A 116 24.991 -5.441 92.706 1.00 0.00 H new ATOM 0 HA LEU A 116 25.725 -7.732 91.152 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.957 -5.389 90.869 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.653 -5.901 89.344 1.00 0.00 H new ATOM 0 HG LEU A 116 23.133 -7.663 91.319 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.504 -7.855 89.439 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.713 -6.160 89.938 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.510 -6.758 88.464 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.382 -9.467 89.618 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.405 -8.394 88.634 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.965 -8.938 90.234 1.00 0.00 H new ATOM 1779 N LEU A 117 27.517 -5.051 90.727 1.00 0.00 N ATOM 1780 CA LEU A 117 28.742 -4.550 90.042 1.00 0.00 C ATOM 1781 C LEU A 117 29.927 -5.288 90.667 1.00 0.00 C ATOM 1782 O LEU A 117 31.074 -5.084 90.327 1.00 0.00 O ATOM 1783 CB LEU A 117 28.832 -3.015 90.208 1.00 0.00 C ATOM 1784 CG LEU A 117 29.974 -2.582 91.150 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.315 -2.586 90.398 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.697 -1.156 91.645 1.00 0.00 C ATOM 0 H LEU A 117 27.195 -4.484 91.512 1.00 0.00 H new ATOM 0 HA LEU A 117 28.730 -4.741 88.969 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.980 -2.556 89.230 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.885 -2.640 90.596 1.00 0.00 H new ATOM 0 HG LEU A 117 30.026 -3.278 91.987 1.00 0.00 H new ATOM 0 HD11 LEU A 117 32.112 -2.278 91.074 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.521 -3.590 90.027 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.264 -1.892 89.559 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.499 -0.840 92.312 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.646 -0.478 90.793 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.749 -1.135 92.182 1.00 0.00 H new ATOM 1798 N GLN A 118 29.620 -6.175 91.579 1.00 0.00 N ATOM 1799 CA GLN A 118 30.663 -6.985 92.270 1.00 0.00 C ATOM 1800 C GLN A 118 31.231 -8.039 91.312 1.00 0.00 C ATOM 1801 O GLN A 118 30.611 -9.083 91.171 1.00 0.00 O ATOM 1802 CB GLN A 118 30.028 -7.698 93.460 1.00 0.00 C ATOM 1803 CG GLN A 118 31.106 -8.401 94.265 1.00 0.00 C ATOM 1804 CD GLN A 118 30.509 -8.995 95.547 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.809 -10.117 95.902 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.669 -8.295 96.257 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.279 -7.789 90.744 1.00 0.00 O ATOM 0 H GLN A 118 28.666 -6.375 91.879 1.00 0.00 H new ATOM 0 HA GLN A 118 31.466 -6.327 92.602 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.500 -6.980 94.088 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.290 -8.421 93.113 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.560 -9.191 93.667 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.899 -7.697 94.517 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.414 -7.352 95.963 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.267 -8.690 97.107 1.00 0.00 H new TER 1816 GLN A 118