USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 706 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 67 SER OG : rot 64:sc= 1.36 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -3.9! C(o=-7.5!,f=-2.5!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.717 USER MOD Set 2.2: A 31 THR OG1 : rot -107:sc= 0.527 USER MOD Set 3.1: A 30 ASN : amide:sc= 1.01 X(o=2,f=1.8) USER MOD Set 3.2: A 32 SER OG : rot -160:sc= 0.982 USER MOD Set 4.1: A 7 THR OG1 : rot -64:sc= 1.05 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.07 K(o=-1,f=-2.9) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.155 F(o=-3.1!,f=-0.16) USER MOD Single : A 9 TYR OH : rot -1:sc= 0.341 USER MOD Single : A 10 ASN : amide:sc= -0.975 K(o=-0.97,f=-2.7!) USER MOD Single : A 11 SER OG : rot 180:sc= -1.4 USER MOD Single : A 14 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.29) USER MOD Single : A 16 SER OG : rot 58:sc= -1.19! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 20 SER OG : rot -16:sc= 0.0331 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.59 F(o=-2.8!,f=-1.6) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 89:sc= 0.11 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.018) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0285 X(o=-0.028,f=-0.006) USER MOD Single : A 61 THR OG1 : rot 150:sc= 0.0252 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.433 F(o=-2.3,f=-0.43) USER MOD Single : A 66 SER OG : rot 67:sc= 0.87 USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= -1.24 (180deg=-4.68!) USER MOD Single : A 75 THR OG1 : rot 150:sc= 0.544 USER MOD Single : A 79 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.27) USER MOD Single : A 82 SER OG : rot 54:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot -43:sc= -0.767 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-3.5) USER MOD Single : A 97 THR OG1 : rot -79:sc= 0.484 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.892 -1.521 -11.314 1.00 0.00 N ATOM 23 CA GLY A 2 -3.909 -0.752 -10.089 1.00 0.00 C ATOM 24 C GLY A 2 -5.095 0.185 -9.965 1.00 0.00 C ATOM 25 O GLY A 2 -6.250 -0.229 -10.041 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.911 -1.438 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.990 -0.169 -10.025 1.00 0.00 H new ATOM 29 N LYS A 3 -4.785 1.464 -9.804 1.00 0.00 N ATOM 30 CA LYS A 3 -5.807 2.501 -9.694 1.00 0.00 C ATOM 31 C LYS A 3 -7.018 2.046 -8.872 1.00 0.00 C ATOM 32 O LYS A 3 -8.155 2.356 -9.224 1.00 0.00 O ATOM 33 CB LYS A 3 -6.271 2.891 -11.097 1.00 0.00 C ATOM 34 CG LYS A 3 -5.099 3.491 -11.910 1.00 0.00 C ATOM 35 CD LYS A 3 -4.942 4.998 -11.610 1.00 0.00 C ATOM 36 CE LYS A 3 -3.888 5.634 -12.539 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.247 7.061 -12.770 1.00 0.00 N ATOM 0 H LYS A 3 -3.828 1.812 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.362 3.351 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.667 2.016 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.083 3.616 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.175 2.968 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.276 3.344 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.900 5.501 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.648 5.138 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.897 5.562 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.848 5.097 -13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.542 7.499 -13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.186 7.115 -13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.265 7.566 -11.861 1.00 0.00 H new ATOM 51 N PHE A 4 -6.784 1.332 -7.773 1.00 0.00 N ATOM 52 CA PHE A 4 -7.898 0.885 -6.939 1.00 0.00 C ATOM 53 C PHE A 4 -8.660 2.098 -6.403 1.00 0.00 C ATOM 54 O PHE A 4 -9.876 2.053 -6.223 1.00 0.00 O ATOM 55 CB PHE A 4 -7.400 0.007 -5.770 1.00 0.00 C ATOM 56 CG PHE A 4 -6.741 0.854 -4.702 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.512 1.480 -4.974 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.351 1.014 -3.434 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.890 2.265 -3.989 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.723 1.801 -2.444 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.490 2.426 -2.722 1.00 0.00 C ATOM 0 H PHE A 4 -5.859 1.056 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.567 0.280 -7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.238 -0.542 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.691 -0.733 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.046 1.357 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.296 0.534 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.948 2.748 -4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.186 1.924 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.006 3.027 -1.967 1.00 0.00 H new ATOM 71 N SER A 5 -7.921 3.177 -6.152 1.00 0.00 N ATOM 72 CA SER A 5 -8.506 4.410 -5.629 1.00 0.00 C ATOM 73 C SER A 5 -9.658 4.907 -6.501 1.00 0.00 C ATOM 74 O SER A 5 -10.528 5.635 -6.023 1.00 0.00 O ATOM 75 CB SER A 5 -7.432 5.495 -5.548 1.00 0.00 C ATOM 76 OG SER A 5 -7.237 6.058 -6.838 1.00 0.00 O ATOM 0 H SER A 5 -6.913 3.222 -6.303 1.00 0.00 H new ATOM 0 HA SER A 5 -8.901 4.193 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.733 6.269 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.498 5.072 -5.178 1.00 0.00 H new ATOM 0 HG SER A 5 -6.550 6.755 -6.790 1.00 0.00 H new ATOM 82 N GLN A 6 -9.670 4.520 -7.774 1.00 0.00 N ATOM 83 CA GLN A 6 -10.737 4.957 -8.673 1.00 0.00 C ATOM 84 C GLN A 6 -12.073 4.357 -8.245 1.00 0.00 C ATOM 85 O GLN A 6 -13.122 4.971 -8.432 1.00 0.00 O ATOM 86 CB GLN A 6 -10.426 4.539 -10.125 1.00 0.00 C ATOM 87 CG GLN A 6 -9.424 5.508 -10.771 1.00 0.00 C ATOM 88 CD GLN A 6 -9.350 5.228 -12.276 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.209 4.915 -12.820 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -10.350 5.290 -12.963 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.968 3.916 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.800 6.044 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.020 3.528 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.347 4.520 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.732 6.539 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.440 5.388 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.245 5.535 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.294 5.097 -13.963 1.00 0.00 H new ATOM 99 N THR A 7 -12.027 3.151 -7.678 1.00 0.00 N ATOM 100 CA THR A 7 -13.242 2.461 -7.229 1.00 0.00 C ATOM 101 C THR A 7 -13.109 2.044 -5.767 1.00 0.00 C ATOM 102 O THR A 7 -13.737 1.083 -5.323 1.00 0.00 O ATOM 103 CB THR A 7 -13.506 1.214 -8.097 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.473 0.385 -7.467 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.207 0.438 -8.282 1.00 0.00 C ATOM 0 H THR A 7 -11.164 2.631 -7.518 1.00 0.00 H new ATOM 0 HA THR A 7 -14.080 3.150 -7.330 1.00 0.00 H new ATOM 0 HB THR A 7 -13.883 1.526 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.114 0.051 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.394 -0.443 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.471 1.073 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.826 0.128 -7.309 1.00 0.00 H new ATOM 113 N CYS A 8 -12.301 2.795 -5.013 1.00 0.00 N ATOM 114 CA CYS A 8 -12.099 2.525 -3.585 1.00 0.00 C ATOM 115 C CYS A 8 -12.136 3.827 -2.798 1.00 0.00 C ATOM 116 O CYS A 8 -11.584 4.841 -3.225 1.00 0.00 O ATOM 117 CB CYS A 8 -10.767 1.805 -3.349 1.00 0.00 C ATOM 118 SG CYS A 8 -10.906 0.092 -3.913 1.00 0.00 S ATOM 0 H CYS A 8 -11.776 3.595 -5.367 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.904 1.876 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.966 2.313 -3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.508 1.832 -2.290 1.00 0.00 H new ATOM 123 N TYR A 9 -12.803 3.791 -1.644 1.00 0.00 N ATOM 124 CA TYR A 9 -12.929 4.972 -0.787 1.00 0.00 C ATOM 125 C TYR A 9 -12.778 4.584 0.680 1.00 0.00 C ATOM 126 O TYR A 9 -12.810 3.402 1.024 1.00 0.00 O ATOM 127 CB TYR A 9 -14.291 5.638 -1.013 1.00 0.00 C ATOM 128 CG TYR A 9 -15.405 4.657 -0.717 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.893 3.809 -1.735 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.962 4.594 0.577 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.938 2.899 -1.456 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.006 3.686 0.857 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.494 2.838 -0.160 1.00 0.00 C ATOM 134 OH TYR A 9 -18.577 2.019 0.088 1.00 0.00 O ATOM 0 H TYR A 9 -13.265 2.957 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.138 5.676 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.387 6.514 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.367 5.987 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.468 3.856 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.589 5.242 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.311 2.250 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.431 3.640 1.849 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.842 1.568 -0.740 1.00 0.00 H new ATOM 144 N ASN A 10 -12.588 5.588 1.534 1.00 0.00 N ATOM 145 CA ASN A 10 -12.407 5.353 2.964 1.00 0.00 C ATOM 146 C ASN A 10 -11.199 4.454 3.194 1.00 0.00 C ATOM 147 O ASN A 10 -11.228 3.552 4.032 1.00 0.00 O ATOM 148 CB ASN A 10 -13.664 4.716 3.570 1.00 0.00 C ATOM 149 CG ASN A 10 -13.468 4.509 5.072 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.619 5.131 5.678 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.226 3.655 5.703 1.00 0.00 N ATOM 0 H ASN A 10 -12.556 6.570 1.261 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.236 6.311 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.529 5.355 3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.868 3.761 3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.106 3.510 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.939 3.133 5.194 1.00 0.00 H new ATOM 158 N SER A 11 -10.133 4.713 2.437 1.00 0.00 N ATOM 159 CA SER A 11 -8.909 3.929 2.557 1.00 0.00 C ATOM 160 C SER A 11 -8.105 4.375 3.769 1.00 0.00 C ATOM 161 O SER A 11 -8.153 5.538 4.167 1.00 0.00 O ATOM 162 CB SER A 11 -8.063 4.072 1.288 1.00 0.00 C ATOM 163 OG SER A 11 -7.394 5.323 1.306 1.00 0.00 O ATOM 0 H SER A 11 -10.094 5.456 1.739 1.00 0.00 H new ATOM 0 HA SER A 11 -9.183 2.882 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.338 3.260 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.697 3.999 0.405 1.00 0.00 H new ATOM 0 HG SER A 11 -6.851 5.415 0.495 1.00 0.00 H new ATOM 169 N ALA A 12 -7.370 3.436 4.358 1.00 0.00 N ATOM 170 CA ALA A 12 -6.554 3.723 5.535 1.00 0.00 C ATOM 171 C ALA A 12 -5.329 2.825 5.553 1.00 0.00 C ATOM 172 O ALA A 12 -5.360 1.703 5.048 1.00 0.00 O ATOM 173 CB ALA A 12 -7.372 3.498 6.796 1.00 0.00 C ATOM 0 H ALA A 12 -7.322 2.468 4.039 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.231 4.763 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.759 3.713 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.239 4.158 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.705 2.461 6.833 1.00 0.00 H new ATOM 179 N ILE A 13 -4.240 3.329 6.131 1.00 0.00 N ATOM 180 CA ILE A 13 -2.990 2.571 6.213 1.00 0.00 C ATOM 181 C ILE A 13 -2.375 2.755 7.589 1.00 0.00 C ATOM 182 O ILE A 13 -2.338 3.865 8.118 1.00 0.00 O ATOM 183 CB ILE A 13 -1.984 3.041 5.132 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.539 2.639 3.749 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.605 2.369 5.362 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.799 3.362 2.606 1.00 0.00 C ATOM 0 H ILE A 13 -4.197 4.258 6.550 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.214 1.518 6.042 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.854 4.122 5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.445 1.561 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.602 2.875 3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.096 2.705 4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.227 2.643 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.714 1.286 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.218 3.053 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.915 4.440 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.740 3.105 2.638 1.00 0.00 H new ATOM 198 N GLN A 14 -1.890 1.660 8.172 1.00 0.00 N ATOM 199 CA GLN A 14 -1.285 1.731 9.496 1.00 0.00 C ATOM 200 C GLN A 14 -0.317 0.576 9.723 1.00 0.00 C ATOM 201 O GLN A 14 -0.707 -0.527 10.107 1.00 0.00 O ATOM 202 CB GLN A 14 -2.388 1.727 10.567 1.00 0.00 C ATOM 203 CG GLN A 14 -1.842 2.263 11.896 1.00 0.00 C ATOM 204 CD GLN A 14 -1.474 3.741 11.745 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.333 4.601 11.746 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.220 4.071 11.598 1.00 0.00 N ATOM 0 H GLN A 14 -1.904 0.729 7.755 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.715 2.658 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.227 2.340 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.768 0.714 10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.588 2.143 12.682 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.966 1.689 12.198 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.501 3.349 11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.040 5.051 11.484 1.00 0.00 H new ATOM 215 N GLY A 15 0.951 0.856 9.454 1.00 0.00 N ATOM 216 CA GLY A 15 2.012 -0.127 9.598 1.00 0.00 C ATOM 217 C GLY A 15 2.359 -0.750 8.267 1.00 0.00 C ATOM 218 O GLY A 15 3.317 -0.347 7.617 1.00 0.00 O ATOM 0 H GLY A 15 1.271 1.769 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.897 0.348 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.700 -0.904 10.297 1.00 0.00 H new ATOM 222 N SER A 16 1.569 -1.733 7.855 1.00 0.00 N ATOM 223 CA SER A 16 1.802 -2.409 6.581 1.00 0.00 C ATOM 224 C SER A 16 0.510 -3.053 6.087 1.00 0.00 C ATOM 225 O SER A 16 0.533 -4.063 5.386 1.00 0.00 O ATOM 226 CB SER A 16 2.911 -3.461 6.757 1.00 0.00 C ATOM 227 OG SER A 16 3.790 -3.395 5.647 1.00 0.00 O ATOM 0 H SER A 16 0.766 -2.080 8.379 1.00 0.00 H new ATOM 0 HA SER A 16 2.124 -1.684 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.458 -3.280 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.476 -4.457 6.834 1.00 0.00 H new ATOM 0 HG SER A 16 4.164 -2.492 5.579 1.00 0.00 H new ATOM 233 N VAL A 17 -0.614 -2.452 6.473 1.00 0.00 N ATOM 234 CA VAL A 17 -1.935 -2.956 6.088 1.00 0.00 C ATOM 235 C VAL A 17 -2.764 -1.862 5.433 1.00 0.00 C ATOM 236 O VAL A 17 -3.063 -0.842 6.051 1.00 0.00 O ATOM 237 CB VAL A 17 -2.699 -3.480 7.322 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.917 -4.295 6.874 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.772 -4.371 8.151 1.00 0.00 C ATOM 0 H VAL A 17 -0.638 -1.614 7.053 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.779 -3.769 5.379 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.033 -2.634 7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.452 -4.662 7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.580 -3.663 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.587 -5.140 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.309 -4.743 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.438 -5.213 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.907 -3.793 8.476 1.00 0.00 H new ATOM 249 N LEU A 18 -3.184 -2.110 4.195 1.00 0.00 N ATOM 250 CA LEU A 18 -4.039 -1.176 3.469 1.00 0.00 C ATOM 251 C LEU A 18 -5.459 -1.694 3.622 1.00 0.00 C ATOM 252 O LEU A 18 -5.707 -2.862 3.347 1.00 0.00 O ATOM 253 CB LEU A 18 -3.631 -1.142 1.975 1.00 0.00 C ATOM 254 CG LEU A 18 -4.030 0.189 1.294 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.915 0.030 -0.227 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.476 0.582 1.644 1.00 0.00 C ATOM 0 H LEU A 18 -2.945 -2.953 3.673 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.949 -0.161 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.554 -1.284 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.104 -1.973 1.451 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.360 0.971 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.195 0.965 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.888 -0.222 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.581 -0.766 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.727 1.521 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.157 -0.199 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.569 0.703 2.723 1.00 0.00 H new ATOM 268 N THR A 19 -6.395 -0.848 4.036 1.00 0.00 N ATOM 269 CA THR A 19 -7.787 -1.268 4.197 1.00 0.00 C ATOM 270 C THR A 19 -8.665 -0.194 3.592 1.00 0.00 C ATOM 271 O THR A 19 -8.493 0.986 3.894 1.00 0.00 O ATOM 272 CB THR A 19 -8.151 -1.421 5.689 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.325 -2.416 6.279 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.618 -1.831 5.821 1.00 0.00 C ATOM 0 H THR A 19 -6.219 0.130 4.266 1.00 0.00 H new ATOM 0 HA THR A 19 -7.932 -2.231 3.707 1.00 0.00 H new ATOM 0 HB THR A 19 -7.995 -0.470 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.555 -2.512 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.872 -1.938 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.251 -1.067 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.778 -2.781 5.311 1.00 0.00 H new ATOM 282 N SER A 20 -9.589 -0.583 2.720 1.00 0.00 N ATOM 283 CA SER A 20 -10.449 0.402 2.075 1.00 0.00 C ATOM 284 C SER A 20 -11.744 -0.217 1.580 1.00 0.00 C ATOM 285 O SER A 20 -11.759 -1.324 1.044 1.00 0.00 O ATOM 286 CB SER A 20 -9.700 1.026 0.890 1.00 0.00 C ATOM 287 OG SER A 20 -10.311 2.260 0.542 1.00 0.00 O ATOM 0 H SER A 20 -9.760 -1.551 2.448 1.00 0.00 H new ATOM 0 HA SER A 20 -10.702 1.163 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.654 1.186 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.715 0.347 0.038 1.00 0.00 H new ATOM 0 HG SER A 20 -11.203 2.308 0.945 1.00 0.00 H new ATOM 293 N THR A 21 -12.825 0.538 1.735 1.00 0.00 N ATOM 294 CA THR A 21 -14.130 0.099 1.272 1.00 0.00 C ATOM 295 C THR A 21 -14.207 0.327 -0.227 1.00 0.00 C ATOM 296 O THR A 21 -14.017 1.447 -0.697 1.00 0.00 O ATOM 297 CB THR A 21 -15.253 0.882 1.970 1.00 0.00 C ATOM 298 OG1 THR A 21 -15.076 0.795 3.378 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.608 0.285 1.588 1.00 0.00 C ATOM 0 H THR A 21 -12.821 1.457 2.178 1.00 0.00 H new ATOM 0 HA THR A 21 -14.258 -0.957 1.507 1.00 0.00 H new ATOM 0 HB THR A 21 -15.220 1.926 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.789 1.294 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.403 0.841 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.741 0.346 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.647 -0.759 1.900 1.00 0.00 H new ATOM 307 N CYS A 22 -14.480 -0.738 -0.981 1.00 0.00 N ATOM 308 CA CYS A 22 -14.566 -0.645 -2.440 1.00 0.00 C ATOM 309 C CYS A 22 -15.887 -1.206 -2.935 1.00 0.00 C ATOM 310 O CYS A 22 -16.548 -1.981 -2.245 1.00 0.00 O ATOM 311 CB CYS A 22 -13.404 -1.411 -3.079 1.00 0.00 C ATOM 312 SG CYS A 22 -11.833 -0.844 -2.381 1.00 0.00 S ATOM 0 H CYS A 22 -14.645 -1.673 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.507 0.405 -2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.524 -2.481 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.408 -1.260 -4.159 1.00 0.00 H new ATOM 317 N GLU A 23 -16.271 -0.789 -4.135 1.00 0.00 N ATOM 318 CA GLU A 23 -17.524 -1.229 -4.735 1.00 0.00 C ATOM 319 C GLU A 23 -17.364 -2.603 -5.380 1.00 0.00 C ATOM 320 O GLU A 23 -16.561 -2.784 -6.296 1.00 0.00 O ATOM 321 CB GLU A 23 -17.972 -0.210 -5.786 1.00 0.00 C ATOM 322 CG GLU A 23 -17.895 1.201 -5.192 1.00 0.00 C ATOM 323 CD GLU A 23 -18.382 2.223 -6.222 1.00 0.00 C ATOM 324 OE1 GLU A 23 -19.584 2.337 -6.395 1.00 0.00 O ATOM 325 OE2 GLU A 23 -17.542 2.879 -6.816 1.00 0.00 O ATOM 0 H GLU A 23 -15.731 -0.145 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.279 -1.305 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.338 -0.280 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.991 -0.426 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.505 1.260 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.870 1.427 -4.898 1.00 0.00 H new ATOM 332 N ARG A 24 -18.148 -3.562 -4.900 1.00 0.00 N ATOM 333 CA ARG A 24 -18.102 -4.917 -5.442 1.00 0.00 C ATOM 334 C ARG A 24 -18.519 -4.907 -6.901 1.00 0.00 C ATOM 335 O ARG A 24 -19.115 -3.941 -7.378 1.00 0.00 O ATOM 336 CB ARG A 24 -19.030 -5.853 -4.660 1.00 0.00 C ATOM 337 CG ARG A 24 -18.625 -5.877 -3.178 1.00 0.00 C ATOM 338 CD ARG A 24 -19.261 -7.087 -2.459 1.00 0.00 C ATOM 339 NE ARG A 24 -18.305 -8.232 -2.492 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.713 -9.437 -2.195 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.975 -9.657 -1.946 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.857 -10.421 -2.149 1.00 0.00 N ATOM 0 H ARG A 24 -18.818 -3.429 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.078 -5.281 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.063 -5.519 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.979 -6.859 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.539 -5.926 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.941 -4.953 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.502 -6.828 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.197 -7.364 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.330 -8.074 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.644 -8.888 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.293 -10.598 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.871 -10.249 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.174 -11.362 -1.917 1.00 0.00 H new ATOM 356 N THR A 25 -18.211 -5.990 -7.609 1.00 0.00 N ATOM 357 CA THR A 25 -18.565 -6.110 -9.020 1.00 0.00 C ATOM 358 C THR A 25 -19.858 -6.905 -9.154 1.00 0.00 C ATOM 359 O THR A 25 -20.637 -6.695 -10.083 1.00 0.00 O ATOM 360 CB THR A 25 -17.451 -6.839 -9.793 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.212 -6.182 -9.560 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.766 -6.822 -11.288 1.00 0.00 C ATOM 0 H THR A 25 -17.717 -6.797 -7.229 1.00 0.00 H new ATOM 0 HA THR A 25 -18.694 -5.109 -9.433 1.00 0.00 H new ATOM 0 HB THR A 25 -17.387 -7.872 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.500 -6.644 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.976 -7.339 -11.832 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.717 -7.324 -11.465 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.831 -5.791 -11.635 1.00 0.00 H new ATOM 370 N ASN A 26 -20.082 -7.817 -8.205 1.00 0.00 N ATOM 371 CA ASN A 26 -21.289 -8.651 -8.194 1.00 0.00 C ATOM 372 C ASN A 26 -22.252 -8.138 -7.115 1.00 0.00 C ATOM 373 O ASN A 26 -23.374 -7.733 -7.412 1.00 0.00 O ATOM 374 CB ASN A 26 -20.887 -10.128 -7.929 1.00 0.00 C ATOM 375 CG ASN A 26 -21.662 -11.079 -8.855 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.708 -11.580 -8.494 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.185 -11.346 -10.041 1.00 0.00 N ATOM 0 H ASN A 26 -19.442 -7.998 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.794 -8.598 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.816 -10.252 -8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.087 -10.383 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.691 -11.975 -10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.307 -10.925 -10.344 1.00 0.00 H new ATOM 384 N GLY A 27 -21.805 -8.179 -5.863 1.00 0.00 N ATOM 385 CA GLY A 27 -22.629 -7.728 -4.749 1.00 0.00 C ATOM 386 C GLY A 27 -22.688 -6.210 -4.645 1.00 0.00 C ATOM 387 O GLY A 27 -22.818 -5.513 -5.649 1.00 0.00 O ATOM 0 H GLY A 27 -20.881 -8.519 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.639 -8.121 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.234 -8.138 -3.820 1.00 0.00 H new ATOM 391 N GLY A 28 -22.613 -5.704 -3.410 1.00 0.00 N ATOM 392 CA GLY A 28 -22.672 -4.262 -3.148 1.00 0.00 C ATOM 393 C GLY A 28 -21.310 -3.694 -2.800 1.00 0.00 C ATOM 394 O GLY A 28 -20.495 -3.439 -3.683 1.00 0.00 O ATOM 0 H GLY A 28 -22.511 -6.275 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.066 -3.749 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.365 -4.070 -2.329 1.00 0.00 H new ATOM 398 N TYR A 29 -21.069 -3.466 -1.504 1.00 0.00 N ATOM 399 CA TYR A 29 -19.795 -2.907 -1.036 1.00 0.00 C ATOM 400 C TYR A 29 -19.010 -3.960 -0.254 1.00 0.00 C ATOM 401 O TYR A 29 -19.592 -4.789 0.445 1.00 0.00 O ATOM 402 CB TYR A 29 -20.065 -1.711 -0.119 1.00 0.00 C ATOM 403 CG TYR A 29 -20.903 -0.682 -0.849 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.332 0.065 -1.901 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.250 -0.460 -0.478 1.00 0.00 C ATOM 406 CE1 TYR A 29 -21.104 1.031 -2.583 1.00 0.00 C ATOM 407 CE2 TYR A 29 -23.020 0.507 -1.160 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.447 1.253 -2.214 1.00 0.00 C ATOM 409 OH TYR A 29 -23.132 2.326 -2.745 1.00 0.00 O ATOM 0 H TYR A 29 -21.739 -3.660 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.214 -2.591 -1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.582 -2.041 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.123 -1.266 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.303 -0.102 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.689 -1.030 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.665 1.601 -3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -24.048 0.677 -0.876 1.00 0.00 H new ATOM 0 HH TYR A 29 -24.046 2.338 -2.391 1.00 0.00 H new ATOM 419 N ASN A 30 -17.681 -3.911 -0.367 1.00 0.00 N ATOM 420 CA ASN A 30 -16.804 -4.854 0.341 1.00 0.00 C ATOM 421 C ASN A 30 -15.580 -4.122 0.872 1.00 0.00 C ATOM 422 O ASN A 30 -14.921 -3.386 0.138 1.00 0.00 O ATOM 423 CB ASN A 30 -16.353 -5.972 -0.608 1.00 0.00 C ATOM 424 CG ASN A 30 -15.296 -6.853 0.066 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.617 -7.862 0.661 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.040 -6.509 -0.009 1.00 0.00 N ATOM 0 H ASN A 30 -17.186 -3.229 -0.942 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.359 -5.290 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.210 -6.579 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.946 -5.539 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.325 -7.088 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.772 -5.661 -0.509 1.00 0.00 H new ATOM 433 N THR A 31 -15.277 -4.339 2.152 1.00 0.00 N ATOM 434 CA THR A 31 -14.122 -3.706 2.793 1.00 0.00 C ATOM 435 C THR A 31 -13.114 -4.753 3.229 1.00 0.00 C ATOM 436 O THR A 31 -13.204 -5.306 4.323 1.00 0.00 O ATOM 437 CB THR A 31 -14.553 -2.890 4.026 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.596 -1.999 3.658 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.360 -2.091 4.552 1.00 0.00 C ATOM 0 H THR A 31 -15.816 -4.949 2.767 1.00 0.00 H new ATOM 0 HA THR A 31 -13.667 -3.039 2.061 1.00 0.00 H new ATOM 0 HB THR A 31 -14.907 -3.565 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.248 -1.083 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.665 -1.514 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.559 -2.775 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.004 -1.414 3.775 1.00 0.00 H new ATOM 447 N SER A 32 -12.141 -5.007 2.358 1.00 0.00 N ATOM 448 CA SER A 32 -11.084 -5.978 2.637 1.00 0.00 C ATOM 449 C SER A 32 -9.781 -5.242 2.901 1.00 0.00 C ATOM 450 O SER A 32 -9.733 -4.011 2.874 1.00 0.00 O ATOM 451 CB SER A 32 -10.908 -6.920 1.443 1.00 0.00 C ATOM 452 OG SER A 32 -11.997 -7.831 1.402 1.00 0.00 O ATOM 0 H SER A 32 -12.062 -4.552 1.449 1.00 0.00 H new ATOM 0 HA SER A 32 -11.359 -6.565 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.862 -6.348 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.967 -7.463 1.529 1.00 0.00 H new ATOM 0 HG SER A 32 -11.749 -8.613 0.865 1.00 0.00 H new ATOM 458 N SER A 33 -8.721 -6.002 3.149 1.00 0.00 N ATOM 459 CA SER A 33 -7.411 -5.416 3.413 1.00 0.00 C ATOM 460 C SER A 33 -6.321 -6.251 2.759 1.00 0.00 C ATOM 461 O SER A 33 -6.482 -7.454 2.555 1.00 0.00 O ATOM 462 CB SER A 33 -7.172 -5.334 4.922 1.00 0.00 C ATOM 463 OG SER A 33 -7.498 -6.582 5.519 1.00 0.00 O ATOM 0 H SER A 33 -8.742 -7.022 3.173 1.00 0.00 H new ATOM 0 HA SER A 33 -7.383 -4.411 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.131 -5.083 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.781 -4.541 5.355 1.00 0.00 H new ATOM 0 HG SER A 33 -7.344 -6.532 6.486 1.00 0.00 H new ATOM 469 N ILE A 34 -5.210 -5.601 2.421 1.00 0.00 N ATOM 470 CA ILE A 34 -4.085 -6.283 1.778 1.00 0.00 C ATOM 471 C ILE A 34 -2.772 -5.801 2.382 1.00 0.00 C ATOM 472 O ILE A 34 -2.454 -4.612 2.347 1.00 0.00 O ATOM 473 CB ILE A 34 -4.092 -6.023 0.248 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.859 -6.656 -0.425 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.100 -4.516 -0.034 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.804 -8.168 -0.141 1.00 0.00 C ATOM 0 H ILE A 34 -5.063 -4.604 2.581 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.186 -7.355 1.948 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.993 -6.479 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.896 -6.484 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.951 -6.178 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.105 -4.347 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.990 -4.068 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.211 -4.060 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.926 -8.597 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.743 -8.334 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.703 -8.645 -0.532 1.00 0.00 H new ATOM 488 N ASP A 35 -2.014 -6.735 2.945 1.00 0.00 N ATOM 489 CA ASP A 35 -0.742 -6.390 3.557 1.00 0.00 C ATOM 490 C ASP A 35 0.243 -5.950 2.483 1.00 0.00 C ATOM 491 O ASP A 35 0.572 -6.716 1.577 1.00 0.00 O ATOM 492 CB ASP A 35 -0.186 -7.593 4.341 1.00 0.00 C ATOM 493 CG ASP A 35 0.815 -7.117 5.402 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.571 -6.205 5.110 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.803 -7.669 6.491 1.00 0.00 O ATOM 0 H ASP A 35 -2.256 -7.725 2.989 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.892 -5.566 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.003 -8.134 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.301 -8.288 3.657 1.00 0.00 H new ATOM 500 N LEU A 36 0.721 -4.719 2.597 1.00 0.00 N ATOM 501 CA LEU A 36 1.678 -4.197 1.635 1.00 0.00 C ATOM 502 C LEU A 36 3.030 -4.845 1.866 1.00 0.00 C ATOM 503 O LEU A 36 3.964 -4.649 1.096 1.00 0.00 O ATOM 504 CB LEU A 36 1.823 -2.681 1.807 1.00 0.00 C ATOM 505 CG LEU A 36 0.454 -1.990 1.742 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.607 -0.530 2.185 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.096 -2.033 0.306 1.00 0.00 C ATOM 0 H LEU A 36 0.464 -4.069 3.340 1.00 0.00 H new ATOM 0 HA LEU A 36 1.322 -4.418 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.300 -2.463 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.473 -2.283 1.028 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.241 -2.509 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.362 -0.033 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.986 -0.498 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.306 -0.020 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.067 -1.540 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.594 -1.520 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.205 -3.070 -0.011 1.00 0.00 H new ATOM 519 N ASN A 37 3.120 -5.626 2.935 1.00 0.00 N ATOM 520 CA ASN A 37 4.365 -6.297 3.272 1.00 0.00 C ATOM 521 C ASN A 37 4.679 -7.421 2.301 1.00 0.00 C ATOM 522 O ASN A 37 5.819 -7.867 2.228 1.00 0.00 O ATOM 523 CB ASN A 37 4.306 -6.861 4.693 1.00 0.00 C ATOM 524 CG ASN A 37 5.625 -7.575 5.011 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.649 -6.880 5.421 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.723 -8.777 4.874 1.00 0.00 N flip ATOM 0 H ASN A 37 2.350 -5.809 3.579 1.00 0.00 H new ATOM 0 HA ASN A 37 5.157 -5.551 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.133 -6.057 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.471 -7.556 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.922 -9.321 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.607 -9.243 5.080 1.00 0.00 H new ATOM 533 N SER A 38 3.681 -7.913 1.573 1.00 0.00 N ATOM 534 CA SER A 38 3.907 -9.014 0.640 1.00 0.00 C ATOM 535 C SER A 38 4.226 -8.501 -0.762 1.00 0.00 C ATOM 536 O SER A 38 4.403 -9.293 -1.687 1.00 0.00 O ATOM 537 CB SER A 38 2.647 -9.886 0.589 1.00 0.00 C ATOM 538 OG SER A 38 2.136 -10.044 1.907 1.00 0.00 O ATOM 0 H SER A 38 2.720 -7.573 1.609 1.00 0.00 H new ATOM 0 HA SER A 38 4.762 -9.594 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.896 -9.425 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.881 -10.859 0.157 1.00 0.00 H new ATOM 0 HG SER A 38 1.329 -10.599 1.881 1.00 0.00 H new ATOM 544 N VAL A 39 4.277 -7.177 -0.932 1.00 0.00 N ATOM 545 CA VAL A 39 4.553 -6.595 -2.252 1.00 0.00 C ATOM 546 C VAL A 39 5.439 -5.346 -2.145 1.00 0.00 C ATOM 547 O VAL A 39 5.616 -4.623 -3.121 1.00 0.00 O ATOM 548 CB VAL A 39 3.226 -6.229 -2.960 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.531 -7.502 -3.450 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.299 -5.508 -1.978 1.00 0.00 C ATOM 0 H VAL A 39 4.134 -6.496 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 39 5.088 -7.343 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 39 3.446 -5.580 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.598 -7.238 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.181 -8.024 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.319 -8.151 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.366 -5.252 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.088 -6.161 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.782 -4.598 -1.623 1.00 0.00 H new ATOM 560 N ILE A 40 6.005 -5.108 -0.959 1.00 0.00 N ATOM 561 CA ILE A 40 6.891 -3.942 -0.746 1.00 0.00 C ATOM 562 C ILE A 40 8.135 -4.339 0.062 1.00 0.00 C ATOM 563 O ILE A 40 8.037 -5.049 1.056 1.00 0.00 O ATOM 564 CB ILE A 40 6.150 -2.788 -0.012 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.991 -2.233 -0.879 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.129 -1.661 0.339 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.483 -1.251 -1.953 1.00 0.00 C ATOM 0 H ILE A 40 5.873 -5.695 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 40 7.197 -3.591 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 40 5.729 -3.191 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.471 -3.062 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.267 -1.732 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.595 -0.861 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.913 -2.049 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.577 -1.270 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.633 -0.891 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.979 -0.407 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.186 -1.758 -2.615 1.00 0.00 H new ATOM 579 N ALA A 41 9.310 -3.862 -0.388 1.00 0.00 N ATOM 580 CA ALA A 41 10.598 -4.155 0.276 1.00 0.00 C ATOM 581 C ALA A 41 11.337 -2.853 0.631 1.00 0.00 C ATOM 582 O ALA A 41 11.164 -1.835 -0.035 1.00 0.00 O ATOM 583 CB ALA A 41 11.467 -4.998 -0.660 1.00 0.00 C ATOM 0 H ALA A 41 9.396 -3.269 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 41 10.402 -4.703 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.418 -5.217 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.954 -5.932 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.649 -4.447 -1.583 1.00 0.00 H new ATOM 589 N ALA A 42 12.162 -2.899 1.689 1.00 0.00 N ATOM 590 CA ALA A 42 12.936 -1.720 2.130 1.00 0.00 C ATOM 591 C ALA A 42 14.426 -1.911 1.858 1.00 0.00 C ATOM 592 O ALA A 42 15.058 -2.801 2.428 1.00 0.00 O ATOM 593 CB ALA A 42 12.748 -1.489 3.624 1.00 0.00 C ATOM 0 H ALA A 42 12.312 -3.734 2.255 1.00 0.00 H new ATOM 0 HA ALA A 42 12.570 -0.861 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.325 -0.617 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.692 -1.320 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.092 -2.365 4.174 1.00 0.00 H new ATOM 599 N VAL A 43 14.983 -1.072 0.982 1.00 0.00 N ATOM 600 CA VAL A 43 16.409 -1.150 0.636 1.00 0.00 C ATOM 601 C VAL A 43 17.065 0.227 0.725 1.00 0.00 C ATOM 602 O VAL A 43 16.817 1.099 -0.110 1.00 0.00 O ATOM 603 CB VAL A 43 16.592 -1.681 -0.795 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.085 -1.796 -1.114 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.938 -3.060 -0.909 1.00 0.00 C ATOM 0 H VAL A 43 14.473 -0.332 0.499 1.00 0.00 H new ATOM 0 HA VAL A 43 16.880 -1.829 1.347 1.00 0.00 H new ATOM 0 HB VAL A 43 16.125 -0.994 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.212 -2.173 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.552 -0.815 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.556 -2.483 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.065 -3.440 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.407 -3.745 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.875 -2.978 -0.683 1.00 0.00 H new ATOM 615 N ASP A 44 17.903 0.417 1.743 1.00 0.00 N ATOM 616 CA ASP A 44 18.595 1.692 1.940 1.00 0.00 C ATOM 617 C ASP A 44 17.582 2.820 2.133 1.00 0.00 C ATOM 618 O ASP A 44 17.847 3.977 1.811 1.00 0.00 O ATOM 619 CB ASP A 44 19.541 1.988 0.740 1.00 0.00 C ATOM 620 CG ASP A 44 20.974 1.549 1.069 1.00 0.00 C ATOM 621 OD1 ASP A 44 21.675 2.319 1.707 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.343 0.454 0.681 1.00 0.00 O ATOM 0 H ASP A 44 18.119 -0.293 2.443 1.00 0.00 H new ATOM 0 HA ASP A 44 19.205 1.626 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.188 1.464 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.524 3.053 0.509 1.00 0.00 H new ATOM 627 N GLY A 45 16.424 2.478 2.681 1.00 0.00 N ATOM 628 CA GLY A 45 15.393 3.464 2.931 1.00 0.00 C ATOM 629 C GLY A 45 14.620 3.821 1.679 1.00 0.00 C ATOM 630 O GLY A 45 14.317 4.988 1.440 1.00 0.00 O ATOM 0 H GLY A 45 16.180 1.527 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.704 3.082 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.848 4.365 3.343 1.00 0.00 H new ATOM 634 N SER A 46 14.300 2.810 0.872 1.00 0.00 N ATOM 635 CA SER A 46 13.556 3.025 -0.374 1.00 0.00 C ATOM 636 C SER A 46 12.524 1.921 -0.574 1.00 0.00 C ATOM 637 O SER A 46 12.879 0.746 -0.677 1.00 0.00 O ATOM 638 CB SER A 46 14.531 3.032 -1.560 1.00 0.00 C ATOM 639 OG SER A 46 15.698 3.761 -1.204 1.00 0.00 O ATOM 0 H SER A 46 14.542 1.836 1.056 1.00 0.00 H new ATOM 0 HA SER A 46 13.041 3.984 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.796 2.011 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.058 3.484 -2.432 1.00 0.00 H new ATOM 0 HG SER A 46 16.350 3.155 -0.794 1.00 0.00 H new ATOM 645 N LEU A 47 11.243 2.291 -0.626 1.00 0.00 N ATOM 646 CA LEU A 47 10.180 1.308 -0.817 1.00 0.00 C ATOM 647 C LEU A 47 9.988 1.003 -2.298 1.00 0.00 C ATOM 648 O LEU A 47 9.699 1.897 -3.094 1.00 0.00 O ATOM 649 CB LEU A 47 8.866 1.843 -0.246 1.00 0.00 C ATOM 650 CG LEU A 47 9.017 2.154 1.249 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.733 2.826 1.744 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.271 0.861 2.051 1.00 0.00 C ATOM 0 H LEU A 47 10.921 3.255 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 47 10.466 0.393 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.570 2.744 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.073 1.109 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 47 9.869 2.818 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.827 3.053 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.569 3.750 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.888 2.155 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.375 1.103 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.432 0.178 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.186 0.386 1.696 1.00 0.00 H new ATOM 664 N LYS A 48 10.138 -0.272 -2.655 1.00 0.00 N ATOM 665 CA LYS A 48 9.972 -0.721 -4.042 1.00 0.00 C ATOM 666 C LYS A 48 8.939 -1.836 -4.100 1.00 0.00 C ATOM 667 O LYS A 48 8.744 -2.555 -3.125 1.00 0.00 O ATOM 668 CB LYS A 48 11.303 -1.248 -4.582 1.00 0.00 C ATOM 669 CG LYS A 48 12.344 -0.119 -4.630 1.00 0.00 C ATOM 670 CD LYS A 48 11.977 0.923 -5.713 1.00 0.00 C ATOM 671 CE LYS A 48 13.236 1.673 -6.164 1.00 0.00 C ATOM 672 NZ LYS A 48 12.842 2.844 -6.995 1.00 0.00 N ATOM 0 H LYS A 48 10.375 -1.018 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 48 9.640 0.122 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.665 -2.058 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.160 -1.662 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.404 0.368 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.329 -0.536 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.514 0.426 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.245 1.628 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.806 2.004 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.884 1.008 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.695 3.354 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.315 2.516 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.240 3.481 -6.434 1.00 0.00 H new ATOM 686 N TRP A 49 8.280 -1.977 -5.246 1.00 0.00 N ATOM 687 CA TRP A 49 7.265 -3.016 -5.409 1.00 0.00 C ATOM 688 C TRP A 49 7.915 -4.386 -5.527 1.00 0.00 C ATOM 689 O TRP A 49 9.111 -4.523 -5.278 1.00 0.00 O ATOM 690 CB TRP A 49 6.407 -2.715 -6.645 1.00 0.00 C ATOM 691 CG TRP A 49 5.512 -1.567 -6.323 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.638 -0.311 -6.809 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.376 -1.551 -5.420 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.646 0.480 -6.254 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.842 -0.240 -5.393 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.758 -2.546 -4.625 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.735 0.081 -4.601 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.635 -2.231 -3.825 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.126 -0.915 -3.811 1.00 0.00 C ATOM 0 H TRP A 49 8.427 -1.392 -6.069 1.00 0.00 H new ATOM 0 HA TRP A 49 6.623 -3.023 -4.528 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.041 -2.475 -7.498 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.818 -3.590 -6.921 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.387 0.020 -7.513 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.524 1.472 -6.456 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.147 -3.553 -4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.348 1.089 -4.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.167 -2.997 -3.225 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.272 -0.671 -3.197 1.00 0.00 H new ATOM 710 N GLN A 50 7.110 -5.401 -5.878 1.00 0.00 N ATOM 711 CA GLN A 50 7.599 -6.784 -6.001 1.00 0.00 C ATOM 712 C GLN A 50 8.670 -7.071 -4.952 1.00 0.00 C ATOM 713 O GLN A 50 9.801 -7.430 -5.270 1.00 0.00 O ATOM 714 CB GLN A 50 8.154 -7.047 -7.408 1.00 0.00 C ATOM 715 CG GLN A 50 9.207 -5.996 -7.784 1.00 0.00 C ATOM 716 CD GLN A 50 9.957 -6.454 -9.037 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.118 -5.698 -9.973 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.426 -7.671 -9.090 1.00 0.00 N ATOM 0 H GLN A 50 6.117 -5.290 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 50 6.755 -7.454 -5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.596 -8.042 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.341 -7.029 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.728 -5.034 -7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.906 -5.854 -6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.290 -8.305 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.929 -7.988 -9.919 1.00 0.00 H new ATOM 727 N GLY A 51 8.289 -6.917 -3.691 1.00 0.00 N ATOM 728 CA GLY A 51 9.209 -7.150 -2.596 1.00 0.00 C ATOM 729 C GLY A 51 8.498 -7.412 -1.289 1.00 0.00 C ATOM 730 O GLY A 51 7.269 -7.403 -1.223 1.00 0.00 O ATOM 0 H GLY A 51 7.352 -6.633 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.846 -8.001 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.862 -6.284 -2.484 1.00 0.00 H new ATOM 734 N SER A 52 9.282 -7.652 -0.240 1.00 0.00 N ATOM 735 CA SER A 52 8.725 -7.930 1.080 1.00 0.00 C ATOM 736 C SER A 52 9.736 -7.575 2.171 1.00 0.00 C ATOM 737 O SER A 52 10.860 -7.167 1.877 1.00 0.00 O ATOM 738 CB SER A 52 8.343 -9.414 1.170 1.00 0.00 C ATOM 739 OG SER A 52 9.362 -10.196 0.562 1.00 0.00 O ATOM 0 H SER A 52 10.301 -7.659 -0.279 1.00 0.00 H new ATOM 0 HA SER A 52 7.834 -7.320 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.216 -9.707 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.389 -9.587 0.672 1.00 0.00 H new ATOM 0 HG SER A 52 9.124 -11.145 0.618 1.00 0.00 H new ATOM 745 N ASN A 53 9.316 -7.724 3.427 1.00 0.00 N ATOM 746 CA ASN A 53 10.170 -7.418 4.577 1.00 0.00 C ATOM 747 C ASN A 53 10.581 -5.940 4.587 1.00 0.00 C ATOM 748 O ASN A 53 11.766 -5.619 4.675 1.00 0.00 O ATOM 749 CB ASN A 53 11.424 -8.330 4.586 1.00 0.00 C ATOM 750 CG ASN A 53 11.083 -9.690 5.207 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.223 -10.716 4.572 1.00 0.00 O ATOM 752 ND2 ASN A 53 10.644 -9.737 6.435 1.00 0.00 N ATOM 0 H ASN A 53 8.384 -8.057 3.676 1.00 0.00 H new ATOM 0 HA ASN A 53 9.593 -7.613 5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.790 -8.468 3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.225 -7.854 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.418 -10.635 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.527 -8.875 6.968 1.00 0.00 H new ATOM 759 N PHE A 54 9.589 -5.041 4.529 1.00 0.00 N ATOM 760 CA PHE A 54 9.851 -3.592 4.565 1.00 0.00 C ATOM 761 C PHE A 54 9.370 -3.021 5.895 1.00 0.00 C ATOM 762 O PHE A 54 9.968 -2.098 6.443 1.00 0.00 O ATOM 763 CB PHE A 54 9.155 -2.885 3.370 1.00 0.00 C ATOM 764 CG PHE A 54 7.772 -2.380 3.729 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.620 -1.165 4.426 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.640 -3.117 3.346 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.330 -0.686 4.740 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.348 -2.646 3.660 1.00 0.00 C ATOM 769 CZ PHE A 54 5.192 -1.428 4.359 1.00 0.00 C ATOM 0 H PHE A 54 8.602 -5.288 4.457 1.00 0.00 H new ATOM 0 HA PHE A 54 10.923 -3.416 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.770 -2.049 3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.080 -3.579 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.492 -0.599 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.759 -4.047 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.214 0.247 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.479 -3.216 3.366 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.204 -1.066 4.601 1.00 0.00 H new ATOM 779 N ILE A 55 8.285 -3.588 6.404 1.00 0.00 N ATOM 780 CA ILE A 55 7.726 -3.136 7.668 1.00 0.00 C ATOM 781 C ILE A 55 8.713 -3.386 8.799 1.00 0.00 C ATOM 782 O ILE A 55 8.806 -2.597 9.739 1.00 0.00 O ATOM 783 CB ILE A 55 6.405 -3.878 7.983 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.759 -3.306 9.262 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.687 -5.372 8.184 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.431 -1.807 9.084 1.00 0.00 C ATOM 0 H ILE A 55 7.778 -4.356 5.964 1.00 0.00 H new ATOM 0 HA ILE A 55 7.525 -2.068 7.581 1.00 0.00 H new ATOM 0 HB ILE A 55 5.720 -3.741 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.848 -3.858 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.435 -3.438 10.107 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.755 -5.892 8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.125 -5.785 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.381 -5.503 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.976 -1.423 9.997 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.348 -1.256 8.876 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.737 -1.683 8.253 1.00 0.00 H new ATOM 798 N GLU A 56 9.445 -4.491 8.706 1.00 0.00 N ATOM 799 CA GLU A 56 10.415 -4.828 9.738 1.00 0.00 C ATOM 800 C GLU A 56 11.453 -3.720 9.881 1.00 0.00 C ATOM 801 O GLU A 56 12.036 -3.543 10.950 1.00 0.00 O ATOM 802 CB GLU A 56 11.118 -6.153 9.409 1.00 0.00 C ATOM 803 CG GLU A 56 11.694 -6.123 7.973 1.00 0.00 C ATOM 804 CD GLU A 56 12.880 -7.091 7.865 1.00 0.00 C ATOM 805 OE1 GLU A 56 12.812 -8.152 8.465 1.00 0.00 O ATOM 806 OE2 GLU A 56 13.837 -6.749 7.190 1.00 0.00 O ATOM 0 H GLU A 56 9.386 -5.159 7.938 1.00 0.00 H new ATOM 0 HA GLU A 56 9.878 -4.936 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.920 -6.332 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.413 -6.979 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.921 -6.400 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.015 -5.112 7.722 1.00 0.00 H new ATOM 813 N ALA A 57 11.690 -2.984 8.791 1.00 0.00 N ATOM 814 CA ALA A 57 12.674 -1.896 8.788 1.00 0.00 C ATOM 815 C ALA A 57 11.998 -0.553 8.538 1.00 0.00 C ATOM 816 O ALA A 57 12.660 0.421 8.176 1.00 0.00 O ATOM 817 CB ALA A 57 13.705 -2.153 7.700 1.00 0.00 C ATOM 0 H ALA A 57 11.214 -3.121 7.899 1.00 0.00 H new ATOM 0 HA ALA A 57 13.159 -1.863 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.438 -1.346 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.209 -3.100 7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.208 -2.197 6.731 1.00 0.00 H new ATOM 823 N CYS A 58 10.677 -0.498 8.722 1.00 0.00 N ATOM 824 CA CYS A 58 9.932 0.745 8.501 1.00 0.00 C ATOM 825 C CYS A 58 8.797 0.900 9.505 1.00 0.00 C ATOM 826 O CYS A 58 8.272 -0.085 10.023 1.00 0.00 O ATOM 827 CB CYS A 58 9.350 0.755 7.088 1.00 0.00 C ATOM 828 SG CYS A 58 10.672 0.473 5.888 1.00 0.00 S ATOM 0 H CYS A 58 10.106 -1.289 9.020 1.00 0.00 H new ATOM 0 HA CYS A 58 10.626 1.576 8.630 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.587 -0.017 6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.863 1.710 6.891 1.00 0.00 H new ATOM 833 N ARG A 59 8.414 2.152 9.763 1.00 0.00 N ATOM 834 CA ARG A 59 7.325 2.446 10.696 1.00 0.00 C ATOM 835 C ARG A 59 6.642 3.761 10.325 1.00 0.00 C ATOM 836 O ARG A 59 7.019 4.413 9.351 1.00 0.00 O ATOM 837 CB ARG A 59 7.848 2.521 12.143 1.00 0.00 C ATOM 838 CG ARG A 59 8.936 3.622 12.302 1.00 0.00 C ATOM 839 CD ARG A 59 10.341 3.035 12.110 1.00 0.00 C ATOM 840 NE ARG A 59 11.357 4.094 12.377 1.00 0.00 N ATOM 841 CZ ARG A 59 11.522 4.555 13.589 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.930 3.973 14.596 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.281 5.596 13.793 1.00 0.00 N ATOM 0 H ARG A 59 8.841 2.976 9.340 1.00 0.00 H new ATOM 0 HA ARG A 59 6.598 1.636 10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.019 2.727 12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.262 1.555 12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.766 4.415 11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.859 4.075 13.290 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.491 2.192 12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.453 2.654 11.095 1.00 0.00 H new ATOM 0 HE ARG A 59 11.924 4.459 11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.338 3.158 14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.059 4.333 15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.746 6.050 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.410 5.956 14.739 1.00 0.00 H new ATOM 857 N ASN A 60 5.639 4.142 11.110 1.00 0.00 N ATOM 858 CA ASN A 60 4.912 5.381 10.856 1.00 0.00 C ATOM 859 C ASN A 60 4.432 5.424 9.417 1.00 0.00 C ATOM 860 O ASN A 60 4.769 6.346 8.672 1.00 0.00 O ATOM 861 CB ASN A 60 5.814 6.589 11.109 1.00 0.00 C ATOM 862 CG ASN A 60 6.381 6.523 12.525 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.643 6.432 13.485 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.673 6.569 12.697 1.00 0.00 N ATOM 0 H ASN A 60 5.313 3.616 11.921 1.00 0.00 H new ATOM 0 HA ASN A 60 4.056 5.415 11.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.626 6.606 10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.248 7.511 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.064 6.529 13.638 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.292 6.645 11.890 1.00 0.00 H new ATOM 871 N THR A 61 3.636 4.434 9.020 1.00 0.00 N ATOM 872 CA THR A 61 3.111 4.377 7.661 1.00 0.00 C ATOM 873 C THR A 61 1.671 4.881 7.650 1.00 0.00 C ATOM 874 O THR A 61 0.922 4.648 8.599 1.00 0.00 O ATOM 875 CB THR A 61 3.169 2.923 7.136 1.00 0.00 C ATOM 876 OG1 THR A 61 2.010 2.220 7.560 1.00 0.00 O ATOM 877 CG2 THR A 61 4.424 2.213 7.681 1.00 0.00 C ATOM 0 H THR A 61 3.342 3.663 9.619 1.00 0.00 H new ATOM 0 HA THR A 61 3.717 5.009 7.012 1.00 0.00 H new ATOM 0 HB THR A 61 3.212 2.940 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.785 1.532 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.455 1.190 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.316 2.747 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.390 2.199 8.770 1.00 0.00 H new ATOM 885 N GLN A 62 1.287 5.592 6.587 1.00 0.00 N ATOM 886 CA GLN A 62 -0.068 6.139 6.504 1.00 0.00 C ATOM 887 C GLN A 62 -0.452 6.488 5.068 1.00 0.00 C ATOM 888 O GLN A 62 0.358 6.384 4.147 1.00 0.00 O ATOM 889 CB GLN A 62 -0.170 7.395 7.387 1.00 0.00 C ATOM 890 CG GLN A 62 0.914 8.445 6.993 1.00 0.00 C ATOM 891 CD GLN A 62 0.305 9.560 6.128 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.394 9.486 4.828 1.00 0.00 O flip ATOM 893 NE2 GLN A 62 -0.252 10.508 6.646 1.00 0.00 N flip ATOM 0 H GLN A 62 1.883 5.799 5.786 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.760 5.375 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.162 7.836 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.050 7.118 8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.354 8.876 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.720 7.955 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.322 10.566 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.650 11.246 6.065 1.00 0.00 H new ATOM 902 N LEU A 63 -1.710 6.896 4.897 1.00 0.00 N ATOM 903 CA LEU A 63 -2.243 7.262 3.584 1.00 0.00 C ATOM 904 C LEU A 63 -1.986 8.735 3.286 1.00 0.00 C ATOM 905 O LEU A 63 -2.329 9.607 4.084 1.00 0.00 O ATOM 906 CB LEU A 63 -3.755 7.000 3.575 1.00 0.00 C ATOM 907 CG LEU A 63 -4.338 7.153 2.146 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.166 5.849 1.351 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.832 7.490 2.238 1.00 0.00 C ATOM 0 H LEU A 63 -2.384 6.982 5.658 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.746 6.664 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.956 5.996 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.252 7.696 4.251 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.803 7.954 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.581 5.975 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.106 5.606 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.689 5.040 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.243 7.598 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.354 6.688 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.961 8.424 2.785 1.00 0.00 H new ATOM 921 N ALA A 64 -1.384 9.004 2.125 1.00 0.00 N ATOM 922 CA ALA A 64 -1.080 10.378 1.706 1.00 0.00 C ATOM 923 C ALA A 64 -1.733 10.687 0.360 1.00 0.00 C ATOM 924 O ALA A 64 -1.653 9.893 -0.575 1.00 0.00 O ATOM 925 CB ALA A 64 0.428 10.550 1.594 1.00 0.00 C ATOM 0 H ALA A 64 -1.097 8.289 1.457 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.476 11.068 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.656 11.570 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.889 10.354 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.820 9.850 0.857 1.00 0.00 H new ATOM 931 N GLY A 65 -2.367 11.854 0.268 1.00 0.00 N ATOM 932 CA GLY A 65 -3.013 12.275 -0.967 1.00 0.00 C ATOM 933 C GLY A 65 -4.304 11.526 -1.263 1.00 0.00 C ATOM 934 O GLY A 65 -5.366 12.133 -1.395 1.00 0.00 O ATOM 0 H GLY A 65 -2.446 12.522 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.226 13.342 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.321 12.132 -1.797 1.00 0.00 H new ATOM 938 N SER A 66 -4.211 10.203 -1.358 1.00 0.00 N ATOM 939 CA SER A 66 -5.389 9.373 -1.636 1.00 0.00 C ATOM 940 C SER A 66 -4.983 7.939 -1.968 1.00 0.00 C ATOM 941 O SER A 66 -5.604 6.989 -1.493 1.00 0.00 O ATOM 942 CB SER A 66 -6.215 9.974 -2.799 1.00 0.00 C ATOM 943 OG SER A 66 -7.351 10.638 -2.263 1.00 0.00 O ATOM 0 H SER A 66 -3.341 9.681 -1.248 1.00 0.00 H new ATOM 0 HA SER A 66 -6.006 9.356 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.606 10.673 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.528 9.187 -3.485 1.00 0.00 H new ATOM 0 HG SER A 66 -7.061 11.421 -1.750 1.00 0.00 H new ATOM 949 N SER A 67 -3.953 7.790 -2.801 1.00 0.00 N ATOM 950 CA SER A 67 -3.482 6.462 -3.206 1.00 0.00 C ATOM 951 C SER A 67 -1.966 6.376 -3.107 1.00 0.00 C ATOM 952 O SER A 67 -1.334 5.663 -3.880 1.00 0.00 O ATOM 953 CB SER A 67 -3.927 6.163 -4.649 1.00 0.00 C ATOM 954 OG SER A 67 -2.872 6.474 -5.552 1.00 0.00 O ATOM 0 H SER A 67 -3.430 8.566 -3.207 1.00 0.00 H new ATOM 0 HA SER A 67 -3.917 5.723 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.202 5.113 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.813 6.748 -4.895 1.00 0.00 H new ATOM 0 HG SER A 67 -2.105 5.892 -5.371 1.00 0.00 H new ATOM 960 N GLU A 68 -1.387 7.090 -2.139 1.00 0.00 N ATOM 961 CA GLU A 68 0.066 7.063 -1.925 1.00 0.00 C ATOM 962 C GLU A 68 0.354 6.563 -0.527 1.00 0.00 C ATOM 963 O GLU A 68 -0.497 6.651 0.359 1.00 0.00 O ATOM 964 CB GLU A 68 0.691 8.449 -2.137 1.00 0.00 C ATOM 965 CG GLU A 68 0.201 9.051 -3.474 1.00 0.00 C ATOM 966 CD GLU A 68 1.223 10.064 -4.004 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.990 10.577 -3.206 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.223 10.302 -5.201 1.00 0.00 O ATOM 0 H GLU A 68 -1.897 7.692 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 68 0.513 6.389 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.422 9.108 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.778 8.370 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.052 8.257 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.764 9.538 -3.330 1.00 0.00 H new ATOM 975 N LEU A 69 1.553 6.011 -0.337 1.00 0.00 N ATOM 976 CA LEU A 69 1.949 5.460 0.960 1.00 0.00 C ATOM 977 C LEU A 69 3.240 6.090 1.443 1.00 0.00 C ATOM 978 O LEU A 69 4.314 5.823 0.914 1.00 0.00 O ATOM 979 CB LEU A 69 2.105 3.933 0.818 1.00 0.00 C ATOM 980 CG LEU A 69 2.594 3.238 2.122 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.136 3.312 2.279 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.908 3.852 3.352 1.00 0.00 C ATOM 0 H LEU A 69 2.265 5.934 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 69 1.182 5.683 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.148 3.503 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.811 3.720 0.015 1.00 0.00 H new ATOM 0 HG LEU A 69 2.320 2.186 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.432 2.814 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.612 2.818 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.449 4.356 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.263 3.353 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.145 4.914 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.829 3.725 3.268 1.00 0.00 H new ATOM 994 N ALA A 70 3.111 6.913 2.478 1.00 0.00 N ATOM 995 CA ALA A 70 4.256 7.588 3.087 1.00 0.00 C ATOM 996 C ALA A 70 4.689 6.826 4.331 1.00 0.00 C ATOM 997 O ALA A 70 3.852 6.371 5.106 1.00 0.00 O ATOM 998 CB ALA A 70 3.876 9.012 3.457 1.00 0.00 C ATOM 0 H ALA A 70 2.217 7.131 2.918 1.00 0.00 H new ATOM 0 HA ALA A 70 5.082 7.616 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.732 9.511 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.574 9.553 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.049 8.995 4.166 1.00 0.00 H new ATOM 1004 N ALA A 71 5.995 6.683 4.515 1.00 0.00 N ATOM 1005 CA ALA A 71 6.514 5.961 5.671 1.00 0.00 C ATOM 1006 C ALA A 71 7.999 6.230 5.845 1.00 0.00 C ATOM 1007 O ALA A 71 8.660 6.726 4.933 1.00 0.00 O ATOM 1008 CB ALA A 71 6.296 4.470 5.482 1.00 0.00 C ATOM 0 H ALA A 71 6.708 7.053 3.887 1.00 0.00 H new ATOM 0 HA ALA A 71 5.984 6.304 6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.685 3.933 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.230 4.268 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.817 4.137 4.584 1.00 0.00 H new ATOM 1014 N GLU A 72 8.523 5.885 7.021 1.00 0.00 N ATOM 1015 CA GLU A 72 9.944 6.075 7.318 1.00 0.00 C ATOM 1016 C GLU A 72 10.657 4.723 7.327 1.00 0.00 C ATOM 1017 O GLU A 72 10.225 3.801 8.010 1.00 0.00 O ATOM 1018 CB GLU A 72 10.109 6.765 8.686 1.00 0.00 C ATOM 1019 CG GLU A 72 9.852 8.282 8.569 1.00 0.00 C ATOM 1020 CD GLU A 72 10.431 9.003 9.792 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.627 9.248 9.797 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.671 9.297 10.700 1.00 0.00 O ATOM 0 H GLU A 72 7.986 5.473 7.784 1.00 0.00 H new ATOM 0 HA GLU A 72 10.387 6.707 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.415 6.328 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.115 6.590 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.309 8.668 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.782 8.474 8.495 1.00 0.00 H new ATOM 1029 N CYS A 73 11.747 4.615 6.554 1.00 0.00 N ATOM 1030 CA CYS A 73 12.518 3.363 6.465 1.00 0.00 C ATOM 1031 C CYS A 73 13.993 3.599 6.786 1.00 0.00 C ATOM 1032 O CYS A 73 14.581 4.597 6.373 1.00 0.00 O ATOM 1033 CB CYS A 73 12.391 2.786 5.059 1.00 0.00 C ATOM 1034 SG CYS A 73 10.714 2.175 4.810 1.00 0.00 S ATOM 0 H CYS A 73 12.115 5.376 5.983 1.00 0.00 H new ATOM 0 HA CYS A 73 12.116 2.661 7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.625 3.551 4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.109 1.977 4.920 1.00 0.00 H new ATOM 1039 N LYS A 74 14.572 2.665 7.539 1.00 0.00 N ATOM 1040 CA LYS A 74 15.973 2.756 7.950 1.00 0.00 C ATOM 1041 C LYS A 74 16.928 2.490 6.780 1.00 0.00 C ATOM 1042 O LYS A 74 16.818 1.482 6.082 1.00 0.00 O ATOM 1043 CB LYS A 74 16.230 1.749 9.109 1.00 0.00 C ATOM 1044 CG LYS A 74 16.816 2.463 10.337 1.00 0.00 C ATOM 1045 CD LYS A 74 16.928 1.471 11.497 1.00 0.00 C ATOM 1046 CE LYS A 74 17.666 2.119 12.675 1.00 0.00 C ATOM 1047 NZ LYS A 74 19.130 2.125 12.399 1.00 0.00 N ATOM 0 H LYS A 74 14.090 1.833 7.878 1.00 0.00 H new ATOM 0 HA LYS A 74 16.168 3.771 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.297 1.256 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.916 0.971 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.797 2.873 10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.180 3.302 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.934 1.153 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.460 0.577 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.309 3.138 12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.460 1.570 13.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.640 1.752 13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.329 1.529 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.444 3.098 12.209 1.00 0.00 H new ATOM 1061 N THR A 75 17.865 3.416 6.589 1.00 0.00 N ATOM 1062 CA THR A 75 18.852 3.301 5.522 1.00 0.00 C ATOM 1063 C THR A 75 19.922 2.279 5.896 1.00 0.00 C ATOM 1064 O THR A 75 19.948 1.778 7.019 1.00 0.00 O ATOM 1065 CB THR A 75 19.538 4.656 5.252 1.00 0.00 C ATOM 1066 OG1 THR A 75 20.048 5.178 6.471 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.526 5.644 4.659 1.00 0.00 C ATOM 0 H THR A 75 17.960 4.255 7.161 1.00 0.00 H new ATOM 0 HA THR A 75 18.326 2.979 4.623 1.00 0.00 H new ATOM 0 HB THR A 75 20.354 4.510 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.843 5.721 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.017 6.599 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.135 5.246 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.706 5.790 5.362 1.00 0.00 H new ATOM 1075 N ALA A 76 20.802 1.974 4.948 1.00 0.00 N ATOM 1076 CA ALA A 76 21.867 1.009 5.193 1.00 0.00 C ATOM 1077 C ALA A 76 22.761 1.475 6.336 1.00 0.00 C ATOM 1078 O ALA A 76 23.378 0.663 7.027 1.00 0.00 O ATOM 1079 CB ALA A 76 22.695 0.827 3.931 1.00 0.00 C ATOM 0 H ALA A 76 20.799 2.377 4.011 1.00 0.00 H new ATOM 0 HA ALA A 76 21.417 0.056 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.490 0.105 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.056 0.463 3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.133 1.782 3.642 1.00 0.00 H new ATOM 1085 N ALA A 77 22.829 2.790 6.528 1.00 0.00 N ATOM 1086 CA ALA A 77 23.655 3.367 7.588 1.00 0.00 C ATOM 1087 C ALA A 77 22.919 3.357 8.922 1.00 0.00 C ATOM 1088 O ALA A 77 23.530 3.534 9.975 1.00 0.00 O ATOM 1089 CB ALA A 77 24.027 4.795 7.224 1.00 0.00 C ATOM 0 H ALA A 77 22.324 3.475 5.966 1.00 0.00 H new ATOM 0 HA ALA A 77 24.557 2.763 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.643 5.224 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.585 4.798 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.120 5.389 7.108 1.00 0.00 H new ATOM 1095 N GLY A 78 21.603 3.141 8.883 1.00 0.00 N ATOM 1096 CA GLY A 78 20.801 3.106 10.100 1.00 0.00 C ATOM 1097 C GLY A 78 20.085 4.422 10.357 1.00 0.00 C ATOM 1098 O GLY A 78 19.918 4.825 11.508 1.00 0.00 O ATOM 0 H GLY A 78 21.075 2.989 8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.067 2.304 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.443 2.872 10.949 1.00 0.00 H new ATOM 1102 N GLN A 79 19.644 5.092 9.282 1.00 0.00 N ATOM 1103 CA GLN A 79 18.925 6.374 9.405 1.00 0.00 C ATOM 1104 C GLN A 79 17.564 6.283 8.717 1.00 0.00 C ATOM 1105 O GLN A 79 17.459 5.888 7.558 1.00 0.00 O ATOM 1106 CB GLN A 79 19.749 7.524 8.770 1.00 0.00 C ATOM 1107 CG GLN A 79 20.751 8.122 9.782 1.00 0.00 C ATOM 1108 CD GLN A 79 21.218 9.497 9.291 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.409 10.353 8.989 1.00 0.00 O ATOM 1110 NE2 GLN A 79 22.495 9.747 9.201 1.00 0.00 N ATOM 0 H GLN A 79 19.770 4.772 8.322 1.00 0.00 H new ATOM 0 HA GLN A 79 18.781 6.584 10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.288 7.150 7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.075 8.305 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.283 8.214 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.606 7.457 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.174 9.029 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.814 10.660 8.877 1.00 0.00 H new ATOM 1119 N PHE A 80 16.531 6.675 9.450 1.00 0.00 N ATOM 1120 CA PHE A 80 15.171 6.661 8.928 1.00 0.00 C ATOM 1121 C PHE A 80 14.945 7.851 7.993 1.00 0.00 C ATOM 1122 O PHE A 80 14.972 9.004 8.421 1.00 0.00 O ATOM 1123 CB PHE A 80 14.178 6.696 10.108 1.00 0.00 C ATOM 1124 CG PHE A 80 13.960 5.291 10.652 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.242 4.346 9.888 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.475 4.925 11.918 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.038 3.040 10.386 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.268 3.620 12.416 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.552 2.676 11.649 1.00 0.00 C ATOM 0 H PHE A 80 16.609 7.008 10.411 1.00 0.00 H new ATOM 0 HA PHE A 80 15.011 5.750 8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.561 7.344 10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.228 7.119 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.848 4.622 8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.027 5.645 12.504 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.488 2.319 9.799 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.658 3.344 13.385 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.398 1.677 12.028 1.00 0.00 H new ATOM 1139 N VAL A 81 14.702 7.554 6.711 1.00 0.00 N ATOM 1140 CA VAL A 81 14.445 8.593 5.703 1.00 0.00 C ATOM 1141 C VAL A 81 12.964 8.584 5.352 1.00 0.00 C ATOM 1142 O VAL A 81 12.241 7.704 5.790 1.00 0.00 O ATOM 1143 CB VAL A 81 15.264 8.344 4.423 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.745 8.591 4.713 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.070 6.898 3.962 1.00 0.00 C ATOM 0 H VAL A 81 14.678 6.602 6.345 1.00 0.00 H new ATOM 0 HA VAL A 81 14.739 9.557 6.118 1.00 0.00 H new ATOM 0 HB VAL A 81 14.926 9.022 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.327 8.415 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.885 9.621 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.080 7.913 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.650 6.724 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.407 6.218 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.014 6.720 3.756 1.00 0.00 H new ATOM 1155 N SER A 82 12.509 9.557 4.562 1.00 0.00 N ATOM 1156 CA SER A 82 11.092 9.631 4.180 1.00 0.00 C ATOM 1157 C SER A 82 10.837 8.945 2.844 1.00 0.00 C ATOM 1158 O SER A 82 11.193 9.473 1.792 1.00 0.00 O ATOM 1159 CB SER A 82 10.672 11.095 4.067 1.00 0.00 C ATOM 1160 OG SER A 82 11.429 11.719 3.038 1.00 0.00 O ATOM 0 H SER A 82 13.092 10.300 4.176 1.00 0.00 H new ATOM 0 HA SER A 82 10.511 9.121 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.607 11.164 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.834 11.607 5.016 1.00 0.00 H new ATOM 0 HG SER A 82 11.334 11.209 2.207 1.00 0.00 H new ATOM 1166 N THR A 83 10.230 7.756 2.885 1.00 0.00 N ATOM 1167 CA THR A 83 9.943 7.003 1.660 1.00 0.00 C ATOM 1168 C THR A 83 8.478 7.109 1.265 1.00 0.00 C ATOM 1169 O THR A 83 7.584 7.124 2.112 1.00 0.00 O ATOM 1170 CB THR A 83 10.278 5.518 1.840 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.305 4.914 2.683 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.665 5.373 2.472 1.00 0.00 C ATOM 0 H THR A 83 9.930 7.297 3.745 1.00 0.00 H new ATOM 0 HA THR A 83 10.563 7.439 0.877 1.00 0.00 H new ATOM 0 HB THR A 83 10.275 5.026 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.108 5.511 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.899 4.316 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.410 5.835 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.675 5.865 3.445 1.00 0.00 H new ATOM 1180 N LYS A 84 8.251 7.181 -0.044 1.00 0.00 N ATOM 1181 CA LYS A 84 6.905 7.289 -0.603 1.00 0.00 C ATOM 1182 C LYS A 84 6.760 6.375 -1.812 1.00 0.00 C ATOM 1183 O LYS A 84 7.743 6.040 -2.472 1.00 0.00 O ATOM 1184 CB LYS A 84 6.620 8.745 -1.015 1.00 0.00 C ATOM 1185 CG LYS A 84 7.768 9.315 -1.907 1.00 0.00 C ATOM 1186 CD LYS A 84 7.400 9.225 -3.407 1.00 0.00 C ATOM 1187 CE LYS A 84 6.479 10.385 -3.813 1.00 0.00 C ATOM 1188 NZ LYS A 84 6.420 10.464 -5.299 1.00 0.00 N ATOM 0 H LYS A 84 8.991 7.166 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 84 6.187 6.985 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.676 8.794 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.508 9.362 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.961 10.353 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.688 8.761 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.307 9.247 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.906 8.275 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.480 10.232 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.852 11.323 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.797 11.248 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.375 10.628 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.046 9.571 -5.680 1.00 0.00 H new ATOM 1202 N ILE A 85 5.527 5.979 -2.103 1.00 0.00 N ATOM 1203 CA ILE A 85 5.262 5.109 -3.240 1.00 0.00 C ATOM 1204 C ILE A 85 3.770 5.127 -3.563 1.00 0.00 C ATOM 1205 O ILE A 85 2.931 5.117 -2.662 1.00 0.00 O ATOM 1206 CB ILE A 85 5.747 3.671 -2.950 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.681 2.825 -4.231 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.890 3.030 -1.859 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.457 1.502 -4.044 1.00 0.00 C ATOM 0 H ILE A 85 4.699 6.245 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 85 5.813 5.477 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 85 6.780 3.715 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.642 2.612 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.101 3.385 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.244 2.017 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.963 3.620 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.851 2.995 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.400 0.914 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.500 1.721 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.018 0.936 -3.222 1.00 0.00 H new ATOM 1221 N ASN A 86 3.444 5.175 -4.855 1.00 0.00 N ATOM 1222 CA ASN A 86 2.047 5.225 -5.287 1.00 0.00 C ATOM 1223 C ASN A 86 1.407 3.837 -5.227 1.00 0.00 C ATOM 1224 O ASN A 86 1.860 2.908 -5.889 1.00 0.00 O ATOM 1225 CB ASN A 86 1.975 5.814 -6.718 1.00 0.00 C ATOM 1226 CG ASN A 86 0.766 6.750 -6.859 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.330 6.483 -6.203 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.824 7.733 -7.570 1.00 0.00 N flip ATOM 0 H ASN A 86 4.123 5.180 -5.616 1.00 0.00 H new ATOM 0 HA ASN A 86 1.485 5.869 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.892 6.360 -6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.903 5.006 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.681 7.942 -8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.016 8.350 -7.654 1.00 0.00 H new ATOM 1235 N LEU A 87 0.340 3.721 -4.442 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.386 2.462 -4.291 1.00 0.00 C ATOM 1237 C LEU A 87 -1.109 2.089 -5.580 1.00 0.00 C ATOM 1238 O LEU A 87 -1.287 0.910 -5.886 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.409 2.621 -3.166 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.693 2.830 -1.811 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.648 3.503 -0.812 1.00 0.00 C ATOM 1242 CD2 LEU A 87 -0.226 1.479 -1.232 1.00 0.00 C ATOM 0 H LEU A 87 -0.045 4.491 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 87 0.325 1.670 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.060 3.470 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.044 1.737 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 87 0.176 3.467 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.137 3.647 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.963 4.470 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.523 2.870 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.276 1.646 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.089 0.831 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.466 1.005 -1.928 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.525 3.102 -6.329 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.236 2.876 -7.582 1.00 0.00 C ATOM 1256 C ASP A 88 -1.316 2.270 -8.635 1.00 0.00 C ATOM 1257 O ASP A 88 -1.775 1.828 -9.687 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.791 4.198 -8.111 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.670 5.229 -8.195 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.520 4.828 -8.141 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.981 6.402 -8.320 1.00 0.00 O ATOM 0 H ASP A 88 -1.384 4.084 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.051 2.180 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.236 4.049 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.583 4.560 -7.455 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.020 2.273 -8.362 1.00 0.00 N ATOM 1267 CA ASP A 89 0.944 1.739 -9.314 1.00 0.00 C ATOM 1268 C ASP A 89 0.713 0.243 -9.548 1.00 0.00 C ATOM 1269 O ASP A 89 1.164 -0.309 -10.551 1.00 0.00 O ATOM 1270 CB ASP A 89 2.377 1.995 -8.800 1.00 0.00 C ATOM 1271 CG ASP A 89 3.346 2.197 -9.971 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.368 3.292 -10.510 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.048 1.258 -10.305 1.00 0.00 O ATOM 0 H ASP A 89 0.386 2.635 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 89 0.812 2.248 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.386 2.876 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.706 1.153 -8.191 1.00 0.00 H new ATOM 1278 N HIS A 90 0.006 -0.411 -8.623 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.271 -1.845 -8.756 1.00 0.00 C ATOM 1280 C HIS A 90 -1.532 -2.240 -7.998 1.00 0.00 C ATOM 1281 O HIS A 90 -2.346 -3.017 -8.499 1.00 0.00 O ATOM 1282 CB HIS A 90 0.894 -2.662 -8.204 1.00 0.00 C ATOM 1283 CG HIS A 90 2.137 -2.406 -9.007 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.412 -3.076 -10.188 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.197 -1.566 -8.793 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.599 -2.632 -10.637 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.121 -1.711 -9.824 1.00 0.00 N ATOM 0 H HIS A 90 -0.381 0.022 -7.784 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.410 -2.050 -9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.067 -2.401 -7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.648 -3.723 -8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.300 -0.894 -7.954 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.072 -2.978 -11.544 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.007 -1.219 -9.935 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.684 -1.723 -6.782 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.852 -2.058 -5.973 1.00 0.00 C ATOM 1297 C ILE A 91 -4.123 -1.773 -6.763 1.00 0.00 C ATOM 1298 O ILE A 91 -4.417 -0.624 -7.091 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.887 -1.257 -4.651 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.516 -1.329 -3.933 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.992 -1.806 -3.740 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.294 -2.691 -3.251 1.00 0.00 C ATOM 0 H ILE A 91 -1.025 -1.081 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.788 -3.118 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.099 -0.213 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.719 -1.151 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.455 -0.536 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.012 -1.238 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.955 -1.715 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.795 -2.855 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.321 -2.698 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.076 -2.859 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.328 -3.483 -4.000 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.873 -2.835 -7.078 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.117 -2.716 -7.849 1.00 0.00 C ATOM 1316 C ALA A 92 -7.311 -3.132 -7.002 1.00 0.00 C ATOM 1317 O ALA A 92 -7.160 -3.509 -5.839 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.042 -3.611 -9.076 1.00 0.00 C ATOM 0 H ALA A 92 -4.639 -3.791 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.240 -1.676 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.966 -3.522 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.200 -3.307 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.907 -4.646 -8.763 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.501 -3.072 -7.602 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.741 -3.451 -6.917 1.00 0.00 C ATOM 1326 C ASN A 93 -10.456 -4.549 -7.697 1.00 0.00 C ATOM 1327 O ASN A 93 -10.942 -4.314 -8.804 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.665 -2.241 -6.809 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.843 -2.571 -5.890 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.656 -3.059 -4.792 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.058 -2.325 -6.296 1.00 0.00 N ATOM 0 H ASN A 93 -8.634 -2.763 -8.565 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.490 -3.814 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.115 -1.385 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.030 -1.961 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.851 -2.542 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.215 -1.916 -7.217 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.532 -5.746 -7.112 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.204 -6.884 -7.750 1.00 0.00 C ATOM 1340 C ILE A 94 -12.416 -7.299 -6.924 1.00 0.00 C ATOM 1341 O ILE A 94 -12.287 -7.646 -5.754 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.252 -8.096 -7.852 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.934 -7.677 -8.547 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.937 -9.254 -8.616 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -9.204 -6.986 -9.893 1.00 0.00 C ATOM 0 H ILE A 94 -10.136 -5.954 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.510 -6.575 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.014 -8.448 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.376 -7.004 -7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.310 -8.556 -8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.254 -10.101 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.841 -9.555 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.199 -8.922 -9.621 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.257 -6.705 -10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.740 -7.669 -10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.807 -6.093 -9.729 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.589 -7.256 -7.547 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.834 -7.624 -6.877 1.00 0.00 C ATOM 1359 C ASP A 95 -14.973 -6.913 -5.527 1.00 0.00 C ATOM 1360 O ASP A 95 -15.584 -7.441 -4.599 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.922 -9.150 -6.699 1.00 0.00 C ATOM 1362 CG ASP A 95 -13.998 -9.620 -5.573 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.439 -9.624 -4.436 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -12.867 -9.970 -5.868 1.00 0.00 O ATOM 0 H ASP A 95 -13.705 -6.969 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.661 -7.300 -7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.950 -9.436 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.649 -9.646 -7.631 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.426 -5.699 -5.439 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.513 -4.901 -4.219 1.00 0.00 C ATOM 1371 C GLY A 96 -13.422 -5.208 -3.211 1.00 0.00 C ATOM 1372 O GLY A 96 -13.450 -4.705 -2.088 1.00 0.00 O ATOM 0 H GLY A 96 -13.918 -5.248 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.465 -3.844 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.484 -5.070 -3.753 1.00 0.00 H new ATOM 1376 N THR A 97 -12.453 -6.028 -3.610 1.00 0.00 N ATOM 1377 CA THR A 97 -11.334 -6.394 -2.730 1.00 0.00 C ATOM 1378 C THR A 97 -10.050 -5.767 -3.253 1.00 0.00 C ATOM 1379 O THR A 97 -9.903 -5.572 -4.454 1.00 0.00 O ATOM 1380 CB THR A 97 -11.148 -7.920 -2.682 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.872 -8.400 -3.988 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.426 -8.575 -2.156 1.00 0.00 C ATOM 0 H THR A 97 -12.415 -6.454 -4.536 1.00 0.00 H new ATOM 0 HA THR A 97 -11.558 -6.030 -1.727 1.00 0.00 H new ATOM 0 HB THR A 97 -10.318 -8.166 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.707 -8.461 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.293 -9.656 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.639 -8.204 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.258 -8.332 -2.817 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.117 -5.458 -2.356 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.847 -4.853 -2.760 1.00 0.00 C ATOM 1392 C LEU A 98 -6.840 -5.926 -3.151 1.00 0.00 C ATOM 1393 O LEU A 98 -6.430 -6.737 -2.322 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.274 -4.028 -1.606 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.321 -3.031 -1.092 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.772 -2.340 0.158 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.629 -1.976 -2.171 1.00 0.00 C ATOM 0 H LEU A 98 -9.213 -5.614 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.034 -4.210 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.963 -4.689 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.385 -3.493 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.241 -3.564 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.508 -1.628 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.565 -3.086 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.852 -1.812 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.373 -1.275 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.716 -1.435 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.016 -2.470 -3.063 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.437 -5.915 -4.422 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.461 -6.884 -4.937 1.00 0.00 C ATOM 1411 C LYS A 99 -4.227 -6.163 -5.447 1.00 0.00 C ATOM 1412 O LYS A 99 -4.207 -4.943 -5.534 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.068 -7.682 -6.091 1.00 0.00 C ATOM 1414 CG LYS A 99 -7.380 -8.344 -5.651 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.139 -9.241 -4.418 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.185 -10.357 -4.358 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.125 -11.014 -3.023 1.00 0.00 N ATOM 0 H LYS A 99 -6.770 -5.246 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.188 -7.557 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.252 -7.023 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.363 -8.443 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.120 -7.579 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.787 -8.939 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.139 -9.673 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.185 -8.641 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.181 -9.948 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.000 -11.088 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.834 -11.773 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.177 -11.416 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.322 -10.312 -2.281 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.203 -6.940 -5.795 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.948 -6.395 -6.317 1.00 0.00 C ATOM 1433 C TYR A 100 -1.830 -6.736 -7.801 1.00 0.00 C ATOM 1434 O TYR A 100 -2.009 -7.887 -8.195 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.775 -7.000 -5.534 1.00 0.00 C ATOM 1436 CG TYR A 100 0.549 -6.621 -6.170 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.045 -5.306 -6.040 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.298 -7.589 -6.878 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.286 -4.960 -6.620 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.540 -7.240 -7.452 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.032 -5.925 -7.325 1.00 0.00 C ATOM 1442 OH TYR A 100 4.300 -5.619 -7.774 1.00 0.00 O ATOM 0 H TYR A 100 -3.217 -7.957 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.931 -5.311 -6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.801 -6.650 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.872 -8.085 -5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.476 -4.565 -5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.920 -8.596 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.664 -3.953 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.114 -7.981 -7.989 1.00 0.00 H new ATOM 0 HH TYR A 100 4.678 -6.394 -8.240 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.526 -5.728 -8.621 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.386 -5.926 -10.070 1.00 0.00 C ATOM 1454 C GLU A 101 -0.115 -5.252 -10.575 1.00 0.00 C ATOM 1455 O GLU A 101 -0.206 -4.120 -11.017 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.595 -5.335 -10.803 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.887 -5.953 -10.260 1.00 0.00 C ATOM 1458 CD GLU A 101 -3.953 -7.433 -10.637 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.446 -7.780 -11.691 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.516 -8.194 -9.868 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.912 -5.911 -10.594 1.00 0.00 O ATOM 0 H GLU A 101 -1.372 -4.769 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.330 -6.997 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.617 -4.253 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.512 -5.526 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.926 -5.843 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.751 -5.426 -10.665 1.00 0.00 H new