USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.017 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 8 GLN : amide:sc= -8.31! C(o=-8.3!,f=-13!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.135 USER MOD Single : A 16 TYR OH : rot -162:sc= 0.106 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-4.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 46 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.19) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0344) USER MOD Single : A 49 GLN : amide:sc= -2.43 K(o=-2.4,f=-6.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00811 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.654 20.473 -0.017 1.00 0.00 N ATOM 2 CA GLY A 1 -9.506 19.830 -1.310 1.00 0.00 C ATOM 3 C GLY A 1 -8.195 19.078 -1.436 1.00 0.00 C ATOM 4 O GLY A 1 -8.092 17.923 -1.024 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.565 20.973 0.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.623 19.754 0.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.880 21.153 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.334 19.139 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.567 20.583 -2.096 1.00 0.00 H new ATOM 8 N SER A 2 -7.191 19.734 -2.010 1.00 0.00 N ATOM 9 CA SER A 2 -5.883 19.118 -2.195 1.00 0.00 C ATOM 10 C SER A 2 -5.003 19.333 -0.967 1.00 0.00 C ATOM 11 O SER A 2 -4.587 18.377 -0.312 1.00 0.00 O ATOM 12 CB SER A 2 -5.196 19.692 -3.436 1.00 0.00 C ATOM 13 OG SER A 2 -3.857 19.238 -3.533 1.00 0.00 O ATOM 0 H SER A 2 -7.259 20.692 -2.355 1.00 0.00 H new ATOM 0 HA SER A 2 -6.029 18.047 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.748 19.400 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.212 20.781 -3.394 1.00 0.00 H new ATOM 0 HG SER A 2 -3.440 19.617 -4.335 1.00 0.00 H new ATOM 19 N SER A 3 -4.723 20.596 -0.662 1.00 0.00 N ATOM 20 CA SER A 3 -3.889 20.939 0.485 1.00 0.00 C ATOM 21 C SER A 3 -4.739 21.466 1.636 1.00 0.00 C ATOM 22 O SER A 3 -4.969 22.669 1.753 1.00 0.00 O ATOM 23 CB SER A 3 -2.843 21.982 0.088 1.00 0.00 C ATOM 24 OG SER A 3 -1.880 22.155 1.113 1.00 0.00 O ATOM 0 H SER A 3 -5.061 21.399 -1.193 1.00 0.00 H new ATOM 0 HA SER A 3 -3.381 20.034 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.347 21.673 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.334 22.933 -0.119 1.00 0.00 H new ATOM 0 HG SER A 3 -1.222 22.826 0.834 1.00 0.00 H new ATOM 30 N GLY A 4 -5.204 20.555 2.486 1.00 0.00 N ATOM 31 CA GLY A 4 -6.024 20.947 3.618 1.00 0.00 C ATOM 32 C GLY A 4 -5.672 20.184 4.880 1.00 0.00 C ATOM 33 O GLY A 4 -4.558 20.296 5.391 1.00 0.00 O ATOM 0 H GLY A 4 -5.028 19.553 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.904 22.015 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.074 20.781 3.377 1.00 0.00 H new ATOM 37 N SER A 5 -6.625 19.407 5.385 1.00 0.00 N ATOM 38 CA SER A 5 -6.412 18.627 6.599 1.00 0.00 C ATOM 39 C SER A 5 -6.516 17.133 6.309 1.00 0.00 C ATOM 40 O SER A 5 -5.693 16.342 6.769 1.00 0.00 O ATOM 41 CB SER A 5 -7.431 19.023 7.670 1.00 0.00 C ATOM 42 OG SER A 5 -8.756 18.801 7.220 1.00 0.00 O ATOM 0 H SER A 5 -7.552 19.301 4.973 1.00 0.00 H new ATOM 0 HA SER A 5 -5.408 18.839 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.251 18.448 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.302 20.074 7.928 1.00 0.00 H new ATOM 0 HG SER A 5 -9.388 19.060 7.923 1.00 0.00 H new ATOM 48 N SER A 6 -7.535 16.755 5.544 1.00 0.00 N ATOM 49 CA SER A 6 -7.750 15.355 5.195 1.00 0.00 C ATOM 50 C SER A 6 -6.617 14.833 4.317 1.00 0.00 C ATOM 51 O SER A 6 -5.973 15.595 3.597 1.00 0.00 O ATOM 52 CB SER A 6 -9.088 15.188 4.473 1.00 0.00 C ATOM 53 OG SER A 6 -9.199 13.898 3.897 1.00 0.00 O ATOM 0 H SER A 6 -8.224 17.398 5.154 1.00 0.00 H new ATOM 0 HA SER A 6 -7.767 14.775 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.906 15.348 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.182 15.946 3.696 1.00 0.00 H new ATOM 0 HG SER A 6 -10.064 13.816 3.443 1.00 0.00 H new ATOM 59 N GLY A 7 -6.379 13.527 4.383 1.00 0.00 N ATOM 60 CA GLY A 7 -5.323 12.924 3.590 1.00 0.00 C ATOM 61 C GLY A 7 -4.338 12.141 4.436 1.00 0.00 C ATOM 62 O GLY A 7 -3.874 11.075 4.030 1.00 0.00 O ATOM 0 H GLY A 7 -6.898 12.875 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.765 12.262 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.790 13.704 3.046 1.00 0.00 H new ATOM 66 N GLN A 8 -4.019 12.670 5.612 1.00 0.00 N ATOM 67 CA GLN A 8 -3.081 12.013 6.515 1.00 0.00 C ATOM 68 C GLN A 8 -3.300 10.504 6.524 1.00 0.00 C ATOM 69 O GLN A 8 -4.435 10.031 6.470 1.00 0.00 O ATOM 70 CB GLN A 8 -3.228 12.571 7.932 1.00 0.00 C ATOM 71 CG GLN A 8 -2.364 11.858 8.959 1.00 0.00 C ATOM 72 CD GLN A 8 -3.061 10.663 9.579 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.931 10.048 8.962 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.681 10.327 10.807 1.00 0.00 N ATOM 0 H GLN A 8 -4.396 13.551 5.962 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.071 12.213 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.970 13.630 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.272 12.499 8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.439 11.529 8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.087 12.560 9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.956 10.865 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.115 9.531 11.275 1.00 0.00 H new ATOM 83 N CYS A 9 -2.206 9.753 6.593 1.00 0.00 N ATOM 84 CA CYS A 9 -2.278 8.297 6.608 1.00 0.00 C ATOM 85 C CYS A 9 -2.787 7.791 7.955 1.00 0.00 C ATOM 86 O CYS A 9 -2.198 8.071 8.998 1.00 0.00 O ATOM 87 CB CYS A 9 -0.903 7.694 6.313 1.00 0.00 C ATOM 88 SG CYS A 9 -0.774 5.916 6.684 1.00 0.00 S ATOM 0 H CYS A 9 -1.259 10.129 6.639 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.979 7.986 5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.667 7.852 5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.151 8.230 6.892 1.00 0.00 H new ATOM 93 N GLY A 10 -3.888 7.045 7.923 1.00 0.00 N ATOM 94 CA GLY A 10 -4.459 6.513 9.146 1.00 0.00 C ATOM 95 C GLY A 10 -3.513 5.572 9.866 1.00 0.00 C ATOM 96 O GLY A 10 -3.415 5.597 11.092 1.00 0.00 O ATOM 0 H GLY A 10 -4.394 6.800 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.722 7.337 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.384 5.985 8.912 1.00 0.00 H new ATOM 100 N ALA A 11 -2.815 4.738 9.102 1.00 0.00 N ATOM 101 CA ALA A 11 -1.872 3.785 9.674 1.00 0.00 C ATOM 102 C ALA A 11 -0.881 4.482 10.600 1.00 0.00 C ATOM 103 O ALA A 11 -0.757 4.129 11.773 1.00 0.00 O ATOM 104 CB ALA A 11 -1.134 3.045 8.569 1.00 0.00 C ATOM 0 H ALA A 11 -2.885 4.703 8.085 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.436 3.064 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.433 2.337 9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.851 2.507 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.588 3.760 7.954 1.00 0.00 H new ATOM 110 N CYS A 12 -0.175 5.474 10.065 1.00 0.00 N ATOM 111 CA CYS A 12 0.807 6.220 10.843 1.00 0.00 C ATOM 112 C CYS A 12 0.547 7.721 10.749 1.00 0.00 C ATOM 113 O CYS A 12 0.586 8.432 11.752 1.00 0.00 O ATOM 114 CB CYS A 12 2.222 5.904 10.354 1.00 0.00 C ATOM 115 SG CYS A 12 2.610 6.587 8.710 1.00 0.00 S ATOM 0 H CYS A 12 -0.265 5.779 9.096 1.00 0.00 H new ATOM 0 HA CYS A 12 0.715 5.917 11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.940 6.293 11.076 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.352 4.822 10.326 1.00 0.00 H new ATOM 120 N GLY A 13 0.282 8.196 9.535 1.00 0.00 N ATOM 121 CA GLY A 13 0.020 9.609 9.333 1.00 0.00 C ATOM 122 C GLY A 13 1.293 10.421 9.202 1.00 0.00 C ATOM 123 O GLY A 13 1.400 11.512 9.761 1.00 0.00 O ATOM 0 H GLY A 13 0.244 7.628 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.584 9.739 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.566 9.990 10.169 1.00 0.00 H new ATOM 127 N GLU A 14 2.261 9.888 8.463 1.00 0.00 N ATOM 128 CA GLU A 14 3.534 10.571 8.264 1.00 0.00 C ATOM 129 C GLU A 14 3.314 11.997 7.766 1.00 0.00 C ATOM 130 O GLU A 14 2.179 12.421 7.546 1.00 0.00 O ATOM 131 CB GLU A 14 4.402 9.800 7.268 1.00 0.00 C ATOM 132 CG GLU A 14 5.233 8.701 7.908 1.00 0.00 C ATOM 133 CD GLU A 14 6.526 9.221 8.506 1.00 0.00 C ATOM 134 OE1 GLU A 14 6.457 10.060 9.429 1.00 0.00 O ATOM 135 OE2 GLU A 14 7.606 8.791 8.052 1.00 0.00 O ATOM 0 H GLU A 14 2.188 8.986 7.993 1.00 0.00 H new ATOM 0 HA GLU A 14 4.048 10.615 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.761 9.361 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.068 10.499 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.647 8.214 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.462 7.942 7.160 1.00 0.00 H new ATOM 142 N SER A 15 4.407 12.732 7.591 1.00 0.00 N ATOM 143 CA SER A 15 4.335 14.111 7.123 1.00 0.00 C ATOM 144 C SER A 15 3.735 14.179 5.722 1.00 0.00 C ATOM 145 O SER A 15 3.651 13.170 5.021 1.00 0.00 O ATOM 146 CB SER A 15 5.727 14.746 7.126 1.00 0.00 C ATOM 147 OG SER A 15 5.671 16.098 6.703 1.00 0.00 O ATOM 0 H SER A 15 5.354 12.395 7.766 1.00 0.00 H new ATOM 0 HA SER A 15 3.689 14.666 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.153 14.692 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.389 14.183 6.468 1.00 0.00 H new ATOM 0 HG SER A 15 6.572 16.482 6.715 1.00 0.00 H new ATOM 153 N TYR A 16 3.320 15.375 5.321 1.00 0.00 N ATOM 154 CA TYR A 16 2.726 15.576 4.005 1.00 0.00 C ATOM 155 C TYR A 16 3.802 15.644 2.926 1.00 0.00 C ATOM 156 O TYR A 16 4.402 16.694 2.697 1.00 0.00 O ATOM 157 CB TYR A 16 1.890 16.857 3.989 1.00 0.00 C ATOM 158 CG TYR A 16 0.940 16.946 2.816 1.00 0.00 C ATOM 159 CD1 TYR A 16 1.409 16.874 1.510 1.00 0.00 C ATOM 160 CD2 TYR A 16 -0.426 17.101 3.014 1.00 0.00 C ATOM 161 CE1 TYR A 16 0.544 16.956 0.436 1.00 0.00 C ATOM 162 CE2 TYR A 16 -1.298 17.183 1.946 1.00 0.00 C ATOM 163 CZ TYR A 16 -0.808 17.110 0.658 1.00 0.00 C ATOM 164 OH TYR A 16 -1.672 17.191 -0.409 1.00 0.00 O ATOM 0 H TYR A 16 3.384 16.220 5.888 1.00 0.00 H new ATOM 0 HA TYR A 16 2.078 14.725 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.318 16.919 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.559 17.717 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.467 16.752 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.813 17.158 4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.925 16.900 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.357 17.304 2.118 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.520 17.583 -0.114 1.00 0.00 H new ATOM 174 N ALA A 17 4.040 14.516 2.264 1.00 0.00 N ATOM 175 CA ALA A 17 5.041 14.447 1.207 1.00 0.00 C ATOM 176 C ALA A 17 4.457 13.841 -0.064 1.00 0.00 C ATOM 177 O ALA A 17 3.630 12.932 -0.006 1.00 0.00 O ATOM 178 CB ALA A 17 6.245 13.642 1.673 1.00 0.00 C ATOM 0 H ALA A 17 3.553 13.638 2.441 1.00 0.00 H new ATOM 0 HA ALA A 17 5.363 15.463 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.985 13.598 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.685 14.119 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.929 12.631 1.931 1.00 0.00 H new ATOM 184 N ALA A 18 4.891 14.352 -1.212 1.00 0.00 N ATOM 185 CA ALA A 18 4.412 13.860 -2.497 1.00 0.00 C ATOM 186 C ALA A 18 5.428 12.922 -3.140 1.00 0.00 C ATOM 187 O ALA A 18 5.676 12.991 -4.344 1.00 0.00 O ATOM 188 CB ALA A 18 4.104 15.024 -3.426 1.00 0.00 C ATOM 0 H ALA A 18 5.574 15.107 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 18 3.496 13.296 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.747 14.642 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.336 15.654 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.008 15.612 -3.585 1.00 0.00 H new ATOM 194 N ASP A 19 6.013 12.047 -2.330 1.00 0.00 N ATOM 195 CA ASP A 19 7.003 11.095 -2.820 1.00 0.00 C ATOM 196 C ASP A 19 6.697 9.686 -2.319 1.00 0.00 C ATOM 197 O ASP A 19 6.544 8.756 -3.110 1.00 0.00 O ATOM 198 CB ASP A 19 8.406 11.512 -2.378 1.00 0.00 C ATOM 199 CG ASP A 19 9.455 10.474 -2.724 1.00 0.00 C ATOM 200 OD1 ASP A 19 9.432 9.963 -3.864 1.00 0.00 O ATOM 201 OD2 ASP A 19 10.300 10.172 -1.856 1.00 0.00 O ATOM 0 H ASP A 19 5.819 11.977 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 19 6.959 11.092 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.666 12.459 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.409 11.682 -1.301 1.00 0.00 H new ATOM 206 N GLU A 20 6.610 9.538 -1.001 1.00 0.00 N ATOM 207 CA GLU A 20 6.324 8.243 -0.396 1.00 0.00 C ATOM 208 C GLU A 20 5.388 7.424 -1.280 1.00 0.00 C ATOM 209 O GLU A 20 4.517 7.972 -1.955 1.00 0.00 O ATOM 210 CB GLU A 20 5.703 8.428 0.990 1.00 0.00 C ATOM 211 CG GLU A 20 6.106 7.355 1.987 1.00 0.00 C ATOM 212 CD GLU A 20 5.296 6.082 1.833 1.00 0.00 C ATOM 213 OE1 GLU A 20 4.201 6.145 1.237 1.00 0.00 O ATOM 214 OE2 GLU A 20 5.758 5.024 2.309 1.00 0.00 O ATOM 0 H GLU A 20 6.733 10.298 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 20 7.265 7.703 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.993 9.403 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.617 8.433 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.164 7.126 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.982 7.740 2.999 1.00 0.00 H new ATOM 221 N PHE A 21 5.575 6.108 -1.270 1.00 0.00 N ATOM 222 CA PHE A 21 4.749 5.213 -2.072 1.00 0.00 C ATOM 223 C PHE A 21 3.403 4.965 -1.397 1.00 0.00 C ATOM 224 O PHE A 21 3.312 4.214 -0.427 1.00 0.00 O ATOM 225 CB PHE A 21 5.472 3.883 -2.298 1.00 0.00 C ATOM 226 CG PHE A 21 4.541 2.719 -2.482 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.540 2.759 -3.439 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.666 1.584 -1.696 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.682 1.690 -3.611 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.811 0.511 -1.864 1.00 0.00 C ATOM 231 CZ PHE A 21 2.817 0.564 -2.822 1.00 0.00 C ATOM 0 H PHE A 21 6.291 5.638 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 21 4.570 5.690 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.110 3.970 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.125 3.685 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.429 3.637 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.440 1.538 -0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.907 1.734 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.920 -0.368 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.147 -0.273 -2.954 1.00 0.00 H new ATOM 241 N TRP A 22 2.361 5.603 -1.919 1.00 0.00 N ATOM 242 CA TRP A 22 1.019 5.453 -1.367 1.00 0.00 C ATOM 243 C TRP A 22 0.330 4.219 -1.939 1.00 0.00 C ATOM 244 O TRP A 22 0.566 3.842 -3.087 1.00 0.00 O ATOM 245 CB TRP A 22 0.183 6.700 -1.658 1.00 0.00 C ATOM 246 CG TRP A 22 0.813 7.967 -1.164 1.00 0.00 C ATOM 247 CD1 TRP A 22 1.827 8.663 -1.757 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.473 8.685 0.027 1.00 0.00 C ATOM 249 NE1 TRP A 22 2.137 9.772 -1.007 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.320 9.809 0.092 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.467 8.491 1.042 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.255 10.731 1.133 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.530 9.406 2.076 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.326 10.515 2.114 1.00 0.00 C ATOM 0 H TRP A 22 2.419 6.228 -2.723 1.00 0.00 H new ATOM 0 HA TRP A 22 1.109 5.328 -0.288 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.022 6.778 -2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.798 6.587 -1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.314 8.383 -2.680 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.859 10.457 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.133 7.641 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.914 11.586 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.251 9.264 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.251 11.213 2.934 1.00 0.00 H new ATOM 265 N ILE A 23 -0.521 3.594 -1.132 1.00 0.00 N ATOM 266 CA ILE A 23 -1.244 2.403 -1.560 1.00 0.00 C ATOM 267 C ILE A 23 -2.692 2.734 -1.905 1.00 0.00 C ATOM 268 O ILE A 23 -3.233 3.744 -1.454 1.00 0.00 O ATOM 269 CB ILE A 23 -1.223 1.311 -0.474 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.263 1.616 0.606 1.00 0.00 C ATOM 271 CG2 ILE A 23 0.165 1.198 0.137 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.607 0.968 0.351 1.00 0.00 C ATOM 0 H ILE A 23 -0.727 3.893 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.737 2.029 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.474 0.356 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.883 1.279 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.397 2.696 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.163 0.422 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.885 0.940 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.443 2.151 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.295 1.227 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.008 1.324 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.487 -0.115 0.311 1.00 0.00 H new ATOM 284 N CYS A 24 -3.314 1.876 -2.705 1.00 0.00 N ATOM 285 CA CYS A 24 -4.701 2.076 -3.110 1.00 0.00 C ATOM 286 C CYS A 24 -5.615 1.049 -2.448 1.00 0.00 C ATOM 287 O CYS A 24 -5.196 -0.070 -2.151 1.00 0.00 O ATOM 288 CB CYS A 24 -4.829 1.984 -4.632 1.00 0.00 C ATOM 289 SG CYS A 24 -4.150 3.407 -5.517 1.00 0.00 S ATOM 0 H CYS A 24 -2.880 1.035 -3.086 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.008 3.071 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.323 1.081 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.882 1.877 -4.892 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.303 3.236 -6.797 1.00 0.00 H new ATOM 295 N CYS A 25 -6.865 1.438 -2.219 1.00 0.00 N ATOM 296 CA CYS A 25 -7.838 0.553 -1.590 1.00 0.00 C ATOM 297 C CYS A 25 -9.205 0.690 -2.253 1.00 0.00 C ATOM 298 O CYS A 25 -9.773 1.782 -2.310 1.00 0.00 O ATOM 299 CB CYS A 25 -7.949 0.864 -0.096 1.00 0.00 C ATOM 300 SG CYS A 25 -8.954 -0.334 0.839 1.00 0.00 S ATOM 0 H CYS A 25 -7.228 2.360 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.494 -0.474 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.948 0.896 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.380 1.858 0.027 1.00 0.00 H new ATOM 305 N ASP A 26 -9.729 -0.424 -2.752 1.00 0.00 N ATOM 306 CA ASP A 26 -11.030 -0.429 -3.410 1.00 0.00 C ATOM 307 C ASP A 26 -12.153 -0.607 -2.392 1.00 0.00 C ATOM 308 O ASP A 26 -13.161 -1.257 -2.671 1.00 0.00 O ATOM 309 CB ASP A 26 -11.093 -1.544 -4.455 1.00 0.00 C ATOM 310 CG ASP A 26 -12.108 -1.260 -5.545 1.00 0.00 C ATOM 311 OD1 ASP A 26 -11.816 -0.424 -6.425 1.00 0.00 O ATOM 312 OD2 ASP A 26 -13.195 -1.874 -5.517 1.00 0.00 O ATOM 0 H ASP A 26 -9.273 -1.335 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.162 0.532 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.108 -1.673 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.345 -2.484 -3.964 1.00 0.00 H new ATOM 317 N LEU A 27 -11.971 -0.025 -1.212 1.00 0.00 N ATOM 318 CA LEU A 27 -12.968 -0.119 -0.151 1.00 0.00 C ATOM 319 C LEU A 27 -13.255 1.253 0.450 1.00 0.00 C ATOM 320 O LEU A 27 -14.352 1.792 0.299 1.00 0.00 O ATOM 321 CB LEU A 27 -12.490 -1.077 0.942 1.00 0.00 C ATOM 322 CG LEU A 27 -12.481 -2.562 0.576 1.00 0.00 C ATOM 323 CD1 LEU A 27 -11.132 -2.961 0.000 1.00 0.00 C ATOM 324 CD2 LEU A 27 -12.817 -3.413 1.792 1.00 0.00 C ATOM 0 H LEU A 27 -11.143 0.517 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.890 -0.505 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.480 -0.789 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.125 -0.943 1.818 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.243 -2.734 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.144 -4.021 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.931 -2.375 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.352 -2.774 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.806 -4.467 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.079 -3.237 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.807 -3.146 2.161 1.00 0.00 H new ATOM 336 N CYS A 28 -12.261 1.815 1.130 1.00 0.00 N ATOM 337 CA CYS A 28 -12.405 3.125 1.753 1.00 0.00 C ATOM 338 C CYS A 28 -11.765 4.210 0.891 1.00 0.00 C ATOM 339 O CYS A 28 -12.125 5.383 0.984 1.00 0.00 O ATOM 340 CB CYS A 28 -11.771 3.124 3.145 1.00 0.00 C ATOM 341 SG CYS A 28 -9.985 2.769 3.149 1.00 0.00 S ATOM 0 H CYS A 28 -11.347 1.383 1.263 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.469 3.340 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.938 4.096 3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.279 2.384 3.763 1.00 0.00 H new ATOM 346 N GLU A 29 -10.814 3.808 0.054 1.00 0.00 N ATOM 347 CA GLU A 29 -10.123 4.746 -0.823 1.00 0.00 C ATOM 348 C GLU A 29 -9.371 5.798 -0.012 1.00 0.00 C ATOM 349 O GLU A 29 -9.467 6.993 -0.286 1.00 0.00 O ATOM 350 CB GLU A 29 -11.119 5.428 -1.763 1.00 0.00 C ATOM 351 CG GLU A 29 -11.686 4.501 -2.826 1.00 0.00 C ATOM 352 CD GLU A 29 -10.683 4.184 -3.917 1.00 0.00 C ATOM 353 OE1 GLU A 29 -9.729 4.970 -4.092 1.00 0.00 O ATOM 354 OE2 GLU A 29 -10.852 3.150 -4.597 1.00 0.00 O ATOM 0 H GLU A 29 -10.505 2.840 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.401 4.184 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.940 5.837 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.627 6.269 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.013 3.573 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.568 4.961 -3.271 1.00 0.00 H new ATOM 361 N MET A 30 -8.624 5.342 0.989 1.00 0.00 N ATOM 362 CA MET A 30 -7.856 6.242 1.840 1.00 0.00 C ATOM 363 C MET A 30 -6.451 6.451 1.282 1.00 0.00 C ATOM 364 O MET A 30 -6.108 5.920 0.226 1.00 0.00 O ATOM 365 CB MET A 30 -7.774 5.688 3.263 1.00 0.00 C ATOM 366 CG MET A 30 -8.915 6.143 4.159 1.00 0.00 C ATOM 367 SD MET A 30 -8.842 7.906 4.534 1.00 0.00 S ATOM 368 CE MET A 30 -8.741 7.867 6.322 1.00 0.00 C ATOM 0 H MET A 30 -8.535 4.355 1.230 1.00 0.00 H new ATOM 0 HA MET A 30 -8.367 7.205 1.862 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.769 4.599 3.220 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.828 5.994 3.709 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.865 5.917 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.890 5.576 5.090 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.689 8.886 6.706 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.624 7.372 6.726 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.848 7.320 6.624 1.00 0.00 H new ATOM 378 N TRP A 31 -5.646 7.228 1.997 1.00 0.00 N ATOM 379 CA TRP A 31 -4.278 7.507 1.572 1.00 0.00 C ATOM 380 C TRP A 31 -3.272 6.909 2.549 1.00 0.00 C ATOM 381 O TRP A 31 -2.805 7.585 3.466 1.00 0.00 O ATOM 382 CB TRP A 31 -4.057 9.016 1.453 1.00 0.00 C ATOM 383 CG TRP A 31 -4.769 9.630 0.286 1.00 0.00 C ATOM 384 CD1 TRP A 31 -5.687 10.641 0.325 1.00 0.00 C ATOM 385 CD2 TRP A 31 -4.624 9.271 -1.092 1.00 0.00 C ATOM 386 NE1 TRP A 31 -6.120 10.933 -0.946 1.00 0.00 N ATOM 387 CE2 TRP A 31 -5.482 10.107 -1.833 1.00 0.00 C ATOM 388 CE3 TRP A 31 -3.850 8.328 -1.773 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -5.588 10.024 -3.219 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -3.956 8.246 -3.148 1.00 0.00 C ATOM 391 CH2 TRP A 31 -4.819 9.090 -3.860 1.00 0.00 C ATOM 0 H TRP A 31 -5.916 7.676 2.873 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.126 7.046 0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.394 9.499 2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.989 9.214 1.363 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.023 11.138 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.805 11.648 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.180 7.674 -1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.253 10.673 -3.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.364 7.519 -3.683 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.879 9.002 -4.935 1.00 0.00 H new ATOM 402 N PHE A 32 -2.941 5.638 2.347 1.00 0.00 N ATOM 403 CA PHE A 32 -1.990 4.949 3.211 1.00 0.00 C ATOM 404 C PHE A 32 -0.638 4.797 2.520 1.00 0.00 C ATOM 405 O PHE A 32 -0.449 5.257 1.393 1.00 0.00 O ATOM 406 CB PHE A 32 -2.531 3.573 3.605 1.00 0.00 C ATOM 407 CG PHE A 32 -3.949 3.605 4.100 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.338 4.517 5.067 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.892 2.723 3.598 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.642 4.550 5.524 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.197 2.751 4.051 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.573 3.665 5.016 1.00 0.00 C ATOM 0 H PHE A 32 -3.317 5.064 1.592 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.853 5.550 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.470 2.907 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.893 3.149 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.614 5.210 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.604 2.005 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.933 5.267 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.923 2.059 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.592 3.688 5.372 1.00 0.00 H new ATOM 422 N HIS A 33 0.300 4.151 3.204 1.00 0.00 N ATOM 423 CA HIS A 33 1.636 3.938 2.657 1.00 0.00 C ATOM 424 C HIS A 33 1.957 2.449 2.570 1.00 0.00 C ATOM 425 O HIS A 33 1.556 1.666 3.430 1.00 0.00 O ATOM 426 CB HIS A 33 2.681 4.647 3.518 1.00 0.00 C ATOM 427 CG HIS A 33 2.343 6.076 3.815 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.434 6.623 5.078 1.00 0.00 N ATOM 429 CD2 HIS A 33 1.913 7.071 3.005 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.073 7.893 5.031 1.00 0.00 C ATOM 431 NE2 HIS A 33 1.753 8.190 3.785 1.00 0.00 N ATOM 0 H HIS A 33 0.160 3.766 4.138 1.00 0.00 H new ATOM 0 HA HIS A 33 1.660 4.356 1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.793 4.106 4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.645 4.608 3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.730 6.999 1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.044 8.573 5.870 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.438 9.102 3.455 1.00 0.00 H new ATOM 439 N GLY A 34 2.681 2.065 1.523 1.00 0.00 N ATOM 440 CA GLY A 34 3.043 0.671 1.343 1.00 0.00 C ATOM 441 C GLY A 34 3.565 0.038 2.617 1.00 0.00 C ATOM 442 O GLY A 34 2.945 -0.873 3.166 1.00 0.00 O ATOM 0 H GLY A 34 3.023 2.694 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.172 0.115 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.803 0.594 0.565 1.00 0.00 H new ATOM 446 N LYS A 35 4.710 0.519 3.089 1.00 0.00 N ATOM 447 CA LYS A 35 5.317 -0.005 4.307 1.00 0.00 C ATOM 448 C LYS A 35 4.274 -0.169 5.408 1.00 0.00 C ATOM 449 O LYS A 35 4.278 -1.161 6.137 1.00 0.00 O ATOM 450 CB LYS A 35 6.436 0.924 4.784 1.00 0.00 C ATOM 451 CG LYS A 35 5.939 2.275 5.269 1.00 0.00 C ATOM 452 CD LYS A 35 5.615 2.249 6.753 1.00 0.00 C ATOM 453 CE LYS A 35 6.859 2.469 7.600 1.00 0.00 C ATOM 454 NZ LYS A 35 7.104 3.915 7.859 1.00 0.00 N ATOM 0 H LYS A 35 5.237 1.272 2.646 1.00 0.00 H new ATOM 0 HA LYS A 35 5.738 -0.985 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.983 0.436 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.142 1.077 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.697 3.034 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.050 2.560 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.879 3.020 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.163 1.291 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.750 1.943 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.724 2.039 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.960 4.024 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.233 4.413 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.290 4.320 8.364 1.00 0.00 H new ATOM 468 N CYS A 36 3.381 0.808 5.521 1.00 0.00 N ATOM 469 CA CYS A 36 2.331 0.772 6.532 1.00 0.00 C ATOM 470 C CYS A 36 1.405 -0.420 6.312 1.00 0.00 C ATOM 471 O CYS A 36 1.083 -1.151 7.249 1.00 0.00 O ATOM 472 CB CYS A 36 1.523 2.071 6.505 1.00 0.00 C ATOM 473 SG CYS A 36 2.261 3.426 7.474 1.00 0.00 S ATOM 0 H CYS A 36 3.363 1.635 4.924 1.00 0.00 H new ATOM 0 HA CYS A 36 2.805 0.667 7.508 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.413 2.396 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.521 1.871 6.885 1.00 0.00 H new ATOM 478 N VAL A 37 0.981 -0.611 5.067 1.00 0.00 N ATOM 479 CA VAL A 37 0.093 -1.716 4.722 1.00 0.00 C ATOM 480 C VAL A 37 0.879 -3.002 4.496 1.00 0.00 C ATOM 481 O VAL A 37 0.369 -3.961 3.915 1.00 0.00 O ATOM 482 CB VAL A 37 -0.730 -1.401 3.459 1.00 0.00 C ATOM 483 CG1 VAL A 37 0.178 -1.285 2.245 1.00 0.00 C ATOM 484 CG2 VAL A 37 -1.796 -2.464 3.240 1.00 0.00 C ATOM 0 H VAL A 37 1.238 -0.015 4.280 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.586 -1.852 5.564 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.229 -0.443 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.421 -1.062 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.899 -0.484 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.708 -2.226 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.368 -2.226 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.320 -3.437 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.464 -2.492 4.101 1.00 0.00 H new ATOM 494 N LYS A 38 2.125 -3.017 4.958 1.00 0.00 N ATOM 495 CA LYS A 38 2.983 -4.187 4.809 1.00 0.00 C ATOM 496 C LYS A 38 3.148 -4.555 3.338 1.00 0.00 C ATOM 497 O LYS A 38 2.979 -5.714 2.956 1.00 0.00 O ATOM 498 CB LYS A 38 2.401 -5.374 5.580 1.00 0.00 C ATOM 499 CG LYS A 38 2.367 -5.164 7.084 1.00 0.00 C ATOM 500 CD LYS A 38 1.865 -6.401 7.809 1.00 0.00 C ATOM 501 CE LYS A 38 1.346 -6.062 9.198 1.00 0.00 C ATOM 502 NZ LYS A 38 1.475 -7.212 10.134 1.00 0.00 N ATOM 0 H LYS A 38 2.563 -2.232 5.439 1.00 0.00 H new ATOM 0 HA LYS A 38 3.963 -3.942 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.388 -5.566 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.990 -6.264 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.366 -4.913 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.723 -4.317 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.071 -6.868 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.672 -7.130 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.897 -5.209 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.300 -5.763 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.111 -6.941 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.929 -8.019 9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.476 -7.481 10.217 1.00 0.00 H new ATOM 516 N ILE A 39 3.482 -3.564 2.518 1.00 0.00 N ATOM 517 CA ILE A 39 3.673 -3.785 1.090 1.00 0.00 C ATOM 518 C ILE A 39 4.826 -2.945 0.553 1.00 0.00 C ATOM 519 O ILE A 39 4.925 -1.751 0.837 1.00 0.00 O ATOM 520 CB ILE A 39 2.397 -3.455 0.293 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.252 -4.376 0.717 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.659 -3.578 -1.200 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.042 -4.111 -0.021 1.00 0.00 C ATOM 0 H ILE A 39 3.626 -2.600 2.818 1.00 0.00 H new ATOM 0 HA ILE A 39 3.907 -4.842 0.963 1.00 0.00 H new ATOM 0 HB ILE A 39 2.108 -2.426 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.549 -5.412 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.081 -4.260 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.748 -3.342 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.448 -2.884 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.969 -4.597 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.809 -4.801 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.363 -3.086 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.113 -4.255 -1.090 1.00 0.00 H new ATOM 535 N THR A 40 5.699 -3.577 -0.226 1.00 0.00 N ATOM 536 CA THR A 40 6.846 -2.888 -0.804 1.00 0.00 C ATOM 537 C THR A 40 6.448 -2.110 -2.053 1.00 0.00 C ATOM 538 O THR A 40 5.475 -2.437 -2.734 1.00 0.00 O ATOM 539 CB THR A 40 7.971 -3.876 -1.166 1.00 0.00 C ATOM 540 OG1 THR A 40 7.468 -4.893 -2.040 1.00 0.00 O ATOM 541 CG2 THR A 40 8.551 -4.517 0.086 1.00 0.00 C ATOM 0 H THR A 40 5.633 -4.565 -0.471 1.00 0.00 H new ATOM 0 HA THR A 40 7.211 -2.194 -0.047 1.00 0.00 H new ATOM 0 HB THR A 40 8.762 -3.322 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.190 -5.516 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.344 -5.211 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.959 -3.743 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.766 -5.057 0.615 1.00 0.00 H new ATOM 549 N PRO A 41 7.215 -1.055 -2.364 1.00 0.00 N ATOM 550 CA PRO A 41 6.962 -0.209 -3.534 1.00 0.00 C ATOM 551 C PRO A 41 7.253 -0.931 -4.845 1.00 0.00 C ATOM 552 O PRO A 41 6.982 -0.408 -5.926 1.00 0.00 O ATOM 553 CB PRO A 41 7.930 0.961 -3.342 1.00 0.00 C ATOM 554 CG PRO A 41 9.030 0.409 -2.503 1.00 0.00 C ATOM 555 CD PRO A 41 8.390 -0.607 -1.597 1.00 0.00 C ATOM 0 HA PRO A 41 5.916 0.092 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.306 1.325 -4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.441 1.802 -2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.800 -0.051 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.514 1.197 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.066 -1.433 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.103 -0.169 -0.641 1.00 0.00 H new ATOM 563 N ALA A 42 7.806 -2.135 -4.742 1.00 0.00 N ATOM 564 CA ALA A 42 8.131 -2.930 -5.921 1.00 0.00 C ATOM 565 C ALA A 42 7.024 -3.932 -6.229 1.00 0.00 C ATOM 566 O ALA A 42 6.588 -4.056 -7.374 1.00 0.00 O ATOM 567 CB ALA A 42 9.457 -3.649 -5.722 1.00 0.00 C ATOM 0 H ALA A 42 8.038 -2.582 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 42 8.220 -2.255 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.688 -4.239 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.247 -2.916 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.387 -4.308 -4.856 1.00 0.00 H new ATOM 573 N ARG A 43 6.573 -4.644 -5.202 1.00 0.00 N ATOM 574 CA ARG A 43 5.518 -5.637 -5.365 1.00 0.00 C ATOM 575 C ARG A 43 4.196 -4.970 -5.732 1.00 0.00 C ATOM 576 O ARG A 43 3.410 -5.511 -6.509 1.00 0.00 O ATOM 577 CB ARG A 43 5.352 -6.451 -4.080 1.00 0.00 C ATOM 578 CG ARG A 43 4.153 -7.385 -4.102 1.00 0.00 C ATOM 579 CD ARG A 43 3.687 -7.726 -2.695 1.00 0.00 C ATOM 580 NE ARG A 43 2.908 -8.961 -2.661 1.00 0.00 N ATOM 581 CZ ARG A 43 2.017 -9.242 -1.717 1.00 0.00 C ATOM 582 NH1 ARG A 43 1.794 -8.381 -0.734 1.00 0.00 N ATOM 583 NH2 ARG A 43 1.348 -10.387 -1.754 1.00 0.00 N ATOM 0 H ARG A 43 6.922 -4.552 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 43 5.805 -6.306 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.256 -7.037 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.254 -5.767 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.337 -6.918 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.414 -8.301 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.553 -7.825 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.084 -6.906 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 43 3.056 -9.645 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.307 -7.500 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.109 -8.599 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.518 -11.053 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.664 -10.602 -1.028 1.00 0.00 H new ATOM 597 N ALA A 44 3.957 -3.791 -5.167 1.00 0.00 N ATOM 598 CA ALA A 44 2.732 -3.049 -5.435 1.00 0.00 C ATOM 599 C ALA A 44 2.375 -3.096 -6.917 1.00 0.00 C ATOM 600 O ALA A 44 1.202 -3.180 -7.280 1.00 0.00 O ATOM 601 CB ALA A 44 2.875 -1.607 -4.971 1.00 0.00 C ATOM 0 H ALA A 44 4.597 -3.329 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 44 1.923 -3.520 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.952 -1.065 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.075 -1.588 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.701 -1.134 -5.503 1.00 0.00 H new ATOM 607 N GLU A 45 3.394 -3.042 -7.769 1.00 0.00 N ATOM 608 CA GLU A 45 3.186 -3.077 -9.212 1.00 0.00 C ATOM 609 C GLU A 45 2.249 -4.218 -9.598 1.00 0.00 C ATOM 610 O GLU A 45 1.381 -4.059 -10.458 1.00 0.00 O ATOM 611 CB GLU A 45 4.524 -3.233 -9.938 1.00 0.00 C ATOM 612 CG GLU A 45 5.544 -2.169 -9.571 1.00 0.00 C ATOM 613 CD GLU A 45 6.970 -2.613 -9.831 1.00 0.00 C ATOM 614 OE1 GLU A 45 7.257 -3.056 -10.962 1.00 0.00 O ATOM 615 OE2 GLU A 45 7.799 -2.518 -8.901 1.00 0.00 O ATOM 0 H GLU A 45 4.371 -2.974 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 45 2.726 -2.135 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.939 -4.215 -9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.350 -3.202 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.340 -1.263 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.434 -1.913 -8.517 1.00 0.00 H new ATOM 622 N HIS A 46 2.430 -5.368 -8.958 1.00 0.00 N ATOM 623 CA HIS A 46 1.601 -6.536 -9.234 1.00 0.00 C ATOM 624 C HIS A 46 0.216 -6.378 -8.615 1.00 0.00 C ATOM 625 O HIS A 46 -0.788 -6.780 -9.204 1.00 0.00 O ATOM 626 CB HIS A 46 2.271 -7.802 -8.698 1.00 0.00 C ATOM 627 CG HIS A 46 3.605 -8.082 -9.318 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.147 -9.348 -9.396 1.00 0.00 N ATOM 629 CD2 HIS A 46 4.506 -7.252 -9.893 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.325 -9.284 -9.991 1.00 0.00 C ATOM 631 NE2 HIS A 46 5.566 -8.023 -10.303 1.00 0.00 N ATOM 0 H HIS A 46 3.143 -5.517 -8.244 1.00 0.00 H new ATOM 0 HA HIS A 46 1.489 -6.623 -10.315 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.393 -7.709 -7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.613 -8.653 -8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.409 -6.182 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.979 -10.120 -10.189 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.403 -7.678 -10.772 1.00 0.00 H new ATOM 640 N ILE A 47 0.169 -5.790 -7.424 1.00 0.00 N ATOM 641 CA ILE A 47 -1.093 -5.578 -6.726 1.00 0.00 C ATOM 642 C ILE A 47 -1.927 -4.502 -7.412 1.00 0.00 C ATOM 643 O ILE A 47 -1.405 -3.466 -7.826 1.00 0.00 O ATOM 644 CB ILE A 47 -0.863 -5.176 -5.258 1.00 0.00 C ATOM 645 CG1 ILE A 47 -0.083 -6.268 -4.523 1.00 0.00 C ATOM 646 CG2 ILE A 47 -2.193 -4.912 -4.567 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.417 -5.841 -3.161 1.00 0.00 C ATOM 0 H ILE A 47 0.990 -5.452 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.632 -6.525 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.275 -4.258 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.721 -7.144 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.767 -6.570 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.014 -4.629 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.715 -4.104 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.804 -5.814 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.961 -6.665 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.081 -4.984 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.430 -5.567 -2.532 1.00 0.00 H new ATOM 659 N LYS A 48 -3.227 -4.752 -7.529 1.00 0.00 N ATOM 660 CA LYS A 48 -4.136 -3.804 -8.161 1.00 0.00 C ATOM 661 C LYS A 48 -5.089 -3.198 -7.136 1.00 0.00 C ATOM 662 O LYS A 48 -5.168 -1.978 -6.995 1.00 0.00 O ATOM 663 CB LYS A 48 -4.933 -4.493 -9.271 1.00 0.00 C ATOM 664 CG LYS A 48 -4.115 -4.786 -10.516 1.00 0.00 C ATOM 665 CD LYS A 48 -4.924 -5.554 -11.548 1.00 0.00 C ATOM 666 CE LYS A 48 -4.080 -5.919 -12.759 1.00 0.00 C ATOM 667 NZ LYS A 48 -3.691 -4.717 -13.547 1.00 0.00 N ATOM 0 H LYS A 48 -3.675 -5.605 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.540 -3.001 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.341 -5.428 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.780 -3.863 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.765 -3.850 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.231 -5.362 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.325 -6.461 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.776 -4.953 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.183 -6.444 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.637 -6.606 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.190 -5.014 -14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.544 -4.183 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.067 -4.113 -12.974 1.00 0.00 H new ATOM 681 N GLN A 49 -5.810 -4.058 -6.424 1.00 0.00 N ATOM 682 CA GLN A 49 -6.757 -3.606 -5.412 1.00 0.00 C ATOM 683 C GLN A 49 -6.554 -4.359 -4.102 1.00 0.00 C ATOM 684 O GLN A 49 -7.225 -5.357 -3.838 1.00 0.00 O ATOM 685 CB GLN A 49 -8.193 -3.795 -5.906 1.00 0.00 C ATOM 686 CG GLN A 49 -8.571 -2.866 -7.049 1.00 0.00 C ATOM 687 CD GLN A 49 -8.108 -3.382 -8.397 1.00 0.00 C ATOM 688 OE1 GLN A 49 -7.645 -4.516 -8.515 1.00 0.00 O ATOM 689 NE2 GLN A 49 -8.233 -2.549 -9.424 1.00 0.00 N ATOM 0 H GLN A 49 -5.756 -5.071 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.579 -2.546 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.324 -4.828 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.879 -3.632 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.653 -2.738 -7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.136 -1.882 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.622 -1.617 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.940 -2.841 -10.356 1.00 0.00 H new ATOM 698 N TYR A 50 -5.626 -3.874 -3.284 1.00 0.00 N ATOM 699 CA TYR A 50 -5.333 -4.503 -2.002 1.00 0.00 C ATOM 700 C TYR A 50 -6.328 -4.055 -0.935 1.00 0.00 C ATOM 701 O TYR A 50 -6.863 -2.948 -0.994 1.00 0.00 O ATOM 702 CB TYR A 50 -3.908 -4.167 -1.559 1.00 0.00 C ATOM 703 CG TYR A 50 -3.598 -4.592 -0.142 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.978 -3.806 0.939 1.00 0.00 C ATOM 705 CD2 TYR A 50 -2.926 -5.780 0.116 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.697 -4.191 2.236 1.00 0.00 C ATOM 707 CE2 TYR A 50 -2.641 -6.173 1.410 1.00 0.00 C ATOM 708 CZ TYR A 50 -3.028 -5.375 2.466 1.00 0.00 C ATOM 709 OH TYR A 50 -2.747 -5.762 3.756 1.00 0.00 O ATOM 0 H TYR A 50 -5.064 -3.047 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.423 -5.582 -2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.203 -4.649 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.753 -3.092 -1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.502 -2.878 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.621 -6.407 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.000 -3.568 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.118 -7.100 1.593 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.273 -6.620 3.744 1.00 0.00 H new ATOM 719 N LYS A 51 -6.571 -4.924 0.040 1.00 0.00 N ATOM 720 CA LYS A 51 -7.499 -4.620 1.123 1.00 0.00 C ATOM 721 C LYS A 51 -6.774 -3.963 2.293 1.00 0.00 C ATOM 722 O LYS A 51 -6.199 -4.645 3.142 1.00 0.00 O ATOM 723 CB LYS A 51 -8.199 -5.896 1.594 1.00 0.00 C ATOM 724 CG LYS A 51 -9.579 -5.652 2.180 1.00 0.00 C ATOM 725 CD LYS A 51 -10.261 -6.955 2.564 1.00 0.00 C ATOM 726 CE LYS A 51 -11.764 -6.883 2.346 1.00 0.00 C ATOM 727 NZ LYS A 51 -12.154 -7.380 0.998 1.00 0.00 N ATOM 0 H LYS A 51 -6.138 -5.845 0.103 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.245 -3.922 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.287 -6.584 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.577 -6.386 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.494 -5.012 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.194 -5.118 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.846 -7.772 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.054 -7.180 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.270 -7.472 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.099 -5.852 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.186 -7.314 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.691 -6.802 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.857 -8.371 0.894 1.00 0.00 H new ATOM 741 N CYS A 52 -6.806 -2.635 2.332 1.00 0.00 N ATOM 742 CA CYS A 52 -6.153 -1.885 3.399 1.00 0.00 C ATOM 743 C CYS A 52 -6.423 -2.525 4.757 1.00 0.00 C ATOM 744 O CYS A 52 -7.399 -3.251 4.947 1.00 0.00 O ATOM 745 CB CYS A 52 -6.638 -0.434 3.400 1.00 0.00 C ATOM 746 SG CYS A 52 -8.131 -0.150 4.405 1.00 0.00 S ATOM 0 H CYS A 52 -7.277 -2.056 1.637 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.078 -1.902 3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.837 0.205 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.841 -0.129 2.373 1.00 0.00 H new ATOM 751 N PRO A 53 -5.538 -2.250 5.727 1.00 0.00 N ATOM 752 CA PRO A 53 -5.660 -2.788 7.085 1.00 0.00 C ATOM 753 C PRO A 53 -6.832 -2.179 7.847 1.00 0.00 C ATOM 754 O PRO A 53 -7.267 -2.714 8.867 1.00 0.00 O ATOM 755 CB PRO A 53 -4.334 -2.395 7.742 1.00 0.00 C ATOM 756 CG PRO A 53 -3.877 -1.196 6.985 1.00 0.00 C ATOM 757 CD PRO A 53 -4.351 -1.392 5.572 1.00 0.00 C ATOM 0 HA PRO A 53 -5.850 -3.861 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.468 -2.168 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.606 -3.204 7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.292 -0.283 7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.792 -1.101 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.600 -0.443 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.589 -1.868 4.955 1.00 0.00 H new ATOM 765 N SER A 54 -7.340 -1.057 7.345 1.00 0.00 N ATOM 766 CA SER A 54 -8.460 -0.374 7.981 1.00 0.00 C ATOM 767 C SER A 54 -9.781 -1.046 7.621 1.00 0.00 C ATOM 768 O SER A 54 -10.769 -0.929 8.347 1.00 0.00 O ATOM 769 CB SER A 54 -8.492 1.097 7.561 1.00 0.00 C ATOM 770 OG SER A 54 -9.278 1.865 8.456 1.00 0.00 O ATOM 0 H SER A 54 -6.993 -0.602 6.500 1.00 0.00 H new ATOM 0 HA SER A 54 -8.325 -0.434 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.477 1.493 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.896 1.182 6.552 1.00 0.00 H new ATOM 0 HG SER A 54 -9.282 2.801 8.167 1.00 0.00 H new ATOM 776 N CYS A 55 -9.792 -1.751 6.495 1.00 0.00 N ATOM 777 CA CYS A 55 -10.990 -2.443 6.036 1.00 0.00 C ATOM 778 C CYS A 55 -10.989 -3.897 6.498 1.00 0.00 C ATOM 779 O CYS A 55 -11.930 -4.353 7.149 1.00 0.00 O ATOM 780 CB CYS A 55 -11.088 -2.381 4.511 1.00 0.00 C ATOM 781 SG CYS A 55 -11.545 -0.742 3.861 1.00 0.00 S ATOM 0 H CYS A 55 -8.983 -1.858 5.883 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.856 -1.943 6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.129 -2.675 4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.824 -3.111 4.175 1.00 0.00 H new ATOM 786 N SER A 56 -9.927 -4.620 6.157 1.00 0.00 N ATOM 787 CA SER A 56 -9.805 -6.024 6.534 1.00 0.00 C ATOM 788 C SER A 56 -10.245 -6.239 7.979 1.00 0.00 C ATOM 789 O SER A 56 -10.866 -7.249 8.306 1.00 0.00 O ATOM 790 CB SER A 56 -8.362 -6.499 6.351 1.00 0.00 C ATOM 791 OG SER A 56 -7.517 -5.959 7.352 1.00 0.00 O ATOM 0 H SER A 56 -9.139 -4.257 5.621 1.00 0.00 H new ATOM 0 HA SER A 56 -10.457 -6.608 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.327 -7.588 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.000 -6.203 5.366 1.00 0.00 H new ATOM 0 HG SER A 56 -6.601 -6.279 7.214 1.00 0.00 H new ATOM 797 N ASN A 57 -9.916 -5.281 8.839 1.00 0.00 N ATOM 798 CA ASN A 57 -10.276 -5.365 10.250 1.00 0.00 C ATOM 799 C ASN A 57 -11.782 -5.547 10.418 1.00 0.00 C ATOM 800 O ASN A 57 -12.234 -6.366 11.218 1.00 0.00 O ATOM 801 CB ASN A 57 -9.817 -4.107 10.990 1.00 0.00 C ATOM 802 CG ASN A 57 -9.633 -4.346 12.477 1.00 0.00 C ATOM 803 OD1 ASN A 57 -10.595 -4.321 13.245 1.00 0.00 O ATOM 804 ND2 ASN A 57 -8.392 -4.578 12.889 1.00 0.00 N ATOM 0 H ASN A 57 -9.401 -4.438 8.584 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.774 -6.233 10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.877 -3.759 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.549 -3.313 10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.206 -4.745 13.878 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.625 -4.589 12.217 1.00 0.00 H new ATOM 811 N LYS A 58 -12.553 -4.777 9.657 1.00 0.00 N ATOM 812 CA LYS A 58 -14.008 -4.853 9.719 1.00 0.00 C ATOM 813 C LYS A 58 -14.473 -6.302 9.825 1.00 0.00 C ATOM 814 O LYS A 58 -13.998 -7.171 9.094 1.00 0.00 O ATOM 815 CB LYS A 58 -14.626 -4.197 8.482 1.00 0.00 C ATOM 816 CG LYS A 58 -14.211 -2.748 8.291 1.00 0.00 C ATOM 817 CD LYS A 58 -15.171 -2.010 7.373 1.00 0.00 C ATOM 818 CE LYS A 58 -14.911 -2.342 5.912 1.00 0.00 C ATOM 819 NZ LYS A 58 -15.872 -1.651 5.007 1.00 0.00 N ATOM 0 H LYS A 58 -12.194 -4.093 8.990 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.338 -4.318 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.341 -4.767 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.712 -4.248 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.175 -2.248 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.205 -2.709 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.197 -2.273 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.070 -0.936 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.893 -2.054 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.985 -3.420 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.662 -1.903 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.842 -1.945 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.784 -0.622 5.128 1.00 0.00 H new ATOM 833 N SER A 59 -15.406 -6.554 10.737 1.00 0.00 N ATOM 834 CA SER A 59 -15.934 -7.898 10.940 1.00 0.00 C ATOM 835 C SER A 59 -14.831 -8.943 10.795 1.00 0.00 C ATOM 836 O SER A 59 -15.054 -10.027 10.258 1.00 0.00 O ATOM 837 CB SER A 59 -17.056 -8.184 9.941 1.00 0.00 C ATOM 838 OG SER A 59 -16.568 -8.185 8.611 1.00 0.00 O ATOM 0 H SER A 59 -15.812 -5.845 11.347 1.00 0.00 H new ATOM 0 HA SER A 59 -16.334 -7.955 11.952 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.510 -9.149 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.839 -7.432 10.044 1.00 0.00 H new ATOM 0 HG SER A 59 -17.305 -8.372 7.992 1.00 0.00 H new ATOM 844 N GLY A 60 -13.638 -8.606 11.278 1.00 0.00 N ATOM 845 CA GLY A 60 -12.518 -9.524 11.193 1.00 0.00 C ATOM 846 C GLY A 60 -12.875 -10.921 11.660 1.00 0.00 C ATOM 847 O GLY A 60 -13.415 -11.731 10.907 1.00 0.00 O ATOM 0 H GLY A 60 -13.428 -7.714 11.726 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.166 -9.568 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.694 -9.143 11.795 1.00 0.00 H new ATOM 851 N PRO A 61 -12.570 -11.219 12.932 1.00 0.00 N ATOM 852 CA PRO A 61 -12.853 -12.529 13.527 1.00 0.00 C ATOM 853 C PRO A 61 -14.346 -12.764 13.727 1.00 0.00 C ATOM 854 O PRO A 61 -15.132 -11.818 13.780 1.00 0.00 O ATOM 855 CB PRO A 61 -12.136 -12.467 14.878 1.00 0.00 C ATOM 856 CG PRO A 61 -12.065 -11.015 15.203 1.00 0.00 C ATOM 857 CD PRO A 61 -11.926 -10.302 13.886 1.00 0.00 C ATOM 0 HA PRO A 61 -12.519 -13.347 12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.684 -13.017 15.643 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.141 -12.909 14.819 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.961 -10.689 15.731 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.217 -10.802 15.854 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.417 -9.329 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.880 -10.127 13.632 1.00 0.00 H new ATOM 865 N SER A 62 -14.731 -14.032 13.838 1.00 0.00 N ATOM 866 CA SER A 62 -16.131 -14.391 14.029 1.00 0.00 C ATOM 867 C SER A 62 -16.540 -14.227 15.490 1.00 0.00 C ATOM 868 O SER A 62 -16.234 -15.072 16.331 1.00 0.00 O ATOM 869 CB SER A 62 -16.376 -15.833 13.579 1.00 0.00 C ATOM 870 OG SER A 62 -16.032 -16.006 12.215 1.00 0.00 O ATOM 0 H SER A 62 -14.093 -14.827 13.799 1.00 0.00 H new ATOM 0 HA SER A 62 -16.738 -13.720 13.422 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.789 -16.514 14.195 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.424 -16.091 13.729 1.00 0.00 H new ATOM 0 HG SER A 62 -16.196 -16.936 11.952 1.00 0.00 H new ATOM 876 N SER A 63 -17.234 -13.131 15.784 1.00 0.00 N ATOM 877 CA SER A 63 -17.682 -12.852 17.143 1.00 0.00 C ATOM 878 C SER A 63 -19.065 -13.447 17.392 1.00 0.00 C ATOM 879 O SER A 63 -19.759 -13.845 16.458 1.00 0.00 O ATOM 880 CB SER A 63 -17.710 -11.343 17.394 1.00 0.00 C ATOM 881 OG SER A 63 -16.474 -10.745 17.043 1.00 0.00 O ATOM 0 H SER A 63 -17.498 -12.423 15.099 1.00 0.00 H new ATOM 0 HA SER A 63 -16.977 -13.315 17.834 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.514 -10.890 16.815 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.926 -11.150 18.445 1.00 0.00 H new ATOM 0 HG SER A 63 -16.518 -9.780 17.211 1.00 0.00 H new ATOM 887 N GLY A 64 -19.459 -13.502 18.661 1.00 0.00 N ATOM 888 CA GLY A 64 -20.756 -14.049 19.011 1.00 0.00 C ATOM 889 C GLY A 64 -20.967 -15.444 18.456 1.00 0.00 C ATOM 890 O GLY A 64 -20.073 -15.966 17.793 1.00 0.00 O ATOM 0 H GLY A 64 -18.903 -13.177 19.452 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.855 -14.074 20.096 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.538 -13.390 18.635 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.512 5.557 6.933 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.779 0.438 2.873 1.00 0.00 ZN