USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -1.94 X(o=-1.9,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0439 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.0333 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.648 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0145 (180deg=-0.198) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= -0.026 (180deg=-0.244) USER MOD Single : A 13 ASN : amide:sc= -0.0938 K(o=-0.094,f=-2.9!) USER MOD Single : A 17 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.3!) USER MOD Single : A 25 GLN : amide:sc= -0.554 K(o=-0.55,f=-2.1) USER MOD Single : A 29 THR OG1 : rot -73:sc= 0.84 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 50 TYR OH : rot -62:sc= 0.809 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.92 K(o=-0.92,f=-0.086) USER MOD Single : A 63 GLN : amide:sc= -0.566 K(o=-0.57,f=-0.0061) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0863) USER MOD Single : A 66 THR OG1 : rot 95:sc= 0.341 USER MOD Single : A 68 TYR OH : rot 20:sc= -1.02 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -1.25 (180deg=-2.43!) USER MOD Single : A 74 SER OG : rot 63:sc= 0.951 USER MOD Single : A 88 SER OG : rot 8:sc= 0.425 USER MOD Single : A 91 SER OG : rot 31:sc= 0.0903 USER MOD Single : A 92 SER OG : rot -80:sc= 0.263 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.514 18.302 -9.474 1.00 0.00 N ATOM 2 CA GLY A 1 12.175 17.783 -8.291 1.00 0.00 C ATOM 3 C GLY A 1 11.215 17.570 -7.137 1.00 0.00 C ATOM 4 O GLY A 1 10.022 17.349 -7.345 1.00 0.00 O ATOM 0 H1 GLY A 1 11.830 17.770 -10.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.484 18.201 -9.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.753 19.307 -9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.660 16.838 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.960 18.475 -7.984 1.00 0.00 H new ATOM 8 N SER A 2 11.737 17.636 -5.916 1.00 0.00 N ATOM 9 CA SER A 2 10.919 17.443 -4.724 1.00 0.00 C ATOM 10 C SER A 2 11.580 18.076 -3.503 1.00 0.00 C ATOM 11 O SER A 2 12.770 17.880 -3.256 1.00 0.00 O ATOM 12 CB SER A 2 10.685 15.952 -4.476 1.00 0.00 C ATOM 13 OG SER A 2 11.901 15.289 -4.174 1.00 0.00 O ATOM 0 H SER A 2 12.722 17.822 -5.726 1.00 0.00 H new ATOM 0 HA SER A 2 9.959 17.931 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.982 15.823 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.230 15.500 -5.357 1.00 0.00 H new ATOM 0 HG SER A 2 12.496 15.900 -3.691 1.00 0.00 H new ATOM 19 N SER A 3 10.799 18.837 -2.743 1.00 0.00 N ATOM 20 CA SER A 3 11.308 19.503 -1.550 1.00 0.00 C ATOM 21 C SER A 3 10.201 19.686 -0.516 1.00 0.00 C ATOM 22 O SER A 3 9.016 19.623 -0.840 1.00 0.00 O ATOM 23 CB SER A 3 11.910 20.861 -1.916 1.00 0.00 C ATOM 24 OG SER A 3 10.972 21.664 -2.611 1.00 0.00 O ATOM 0 H SER A 3 9.811 19.008 -2.932 1.00 0.00 H new ATOM 0 HA SER A 3 12.086 18.874 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.233 21.375 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.796 20.715 -2.533 1.00 0.00 H new ATOM 0 HG SER A 3 11.380 22.527 -2.832 1.00 0.00 H new ATOM 30 N GLY A 4 10.598 19.913 0.733 1.00 0.00 N ATOM 31 CA GLY A 4 9.629 20.102 1.796 1.00 0.00 C ATOM 32 C GLY A 4 10.198 20.876 2.969 1.00 0.00 C ATOM 33 O GLY A 4 11.406 20.863 3.202 1.00 0.00 O ATOM 0 H GLY A 4 11.573 19.969 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.761 20.631 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.279 19.129 2.142 1.00 0.00 H new ATOM 37 N SER A 5 9.326 21.555 3.707 1.00 0.00 N ATOM 38 CA SER A 5 9.749 22.344 4.858 1.00 0.00 C ATOM 39 C SER A 5 8.601 22.521 5.847 1.00 0.00 C ATOM 40 O SER A 5 7.451 22.201 5.544 1.00 0.00 O ATOM 41 CB SER A 5 10.262 23.712 4.405 1.00 0.00 C ATOM 42 OG SER A 5 11.596 23.626 3.934 1.00 0.00 O ATOM 0 H SER A 5 8.322 21.575 3.528 1.00 0.00 H new ATOM 0 HA SER A 5 10.556 21.808 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.619 24.102 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.211 24.416 5.235 1.00 0.00 H new ATOM 0 HG SER A 5 11.792 22.702 3.674 1.00 0.00 H new ATOM 48 N SER A 6 8.921 23.033 7.031 1.00 0.00 N ATOM 49 CA SER A 6 7.919 23.250 8.067 1.00 0.00 C ATOM 50 C SER A 6 8.527 23.960 9.272 1.00 0.00 C ATOM 51 O SER A 6 9.743 24.128 9.359 1.00 0.00 O ATOM 52 CB SER A 6 7.308 21.916 8.502 1.00 0.00 C ATOM 53 OG SER A 6 5.993 22.095 9.000 1.00 0.00 O ATOM 0 H SER A 6 9.867 23.305 7.297 1.00 0.00 H new ATOM 0 HA SER A 6 7.135 23.883 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.289 21.228 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.932 21.460 9.270 1.00 0.00 H new ATOM 0 HG SER A 6 5.624 21.228 9.269 1.00 0.00 H new ATOM 59 N GLY A 7 7.671 24.377 10.200 1.00 0.00 N ATOM 60 CA GLY A 7 8.142 25.065 11.388 1.00 0.00 C ATOM 61 C GLY A 7 7.248 24.826 12.589 1.00 0.00 C ATOM 62 O GLY A 7 6.532 23.827 12.668 1.00 0.00 O ATOM 0 H GLY A 7 6.660 24.251 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.154 24.732 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.197 26.135 11.187 1.00 0.00 H new ATOM 66 N PRO A 8 7.284 25.757 13.553 1.00 0.00 N ATOM 67 CA PRO A 8 6.479 25.665 14.774 1.00 0.00 C ATOM 68 C PRO A 8 4.991 25.862 14.504 1.00 0.00 C ATOM 69 O PRO A 8 4.450 26.948 14.714 1.00 0.00 O ATOM 70 CB PRO A 8 7.020 26.802 15.644 1.00 0.00 C ATOM 71 CG PRO A 8 7.583 27.784 14.675 1.00 0.00 C ATOM 72 CD PRO A 8 8.115 26.973 13.526 1.00 0.00 C ATOM 0 HA PRO A 8 6.556 24.682 15.239 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.230 27.249 16.247 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.784 26.444 16.334 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.817 28.483 14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.375 28.376 15.135 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.018 27.505 12.580 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.172 26.740 13.654 1.00 0.00 H new ATOM 80 N LYS A 9 4.334 24.806 14.036 1.00 0.00 N ATOM 81 CA LYS A 9 2.908 24.862 13.738 1.00 0.00 C ATOM 82 C LYS A 9 2.266 23.487 13.892 1.00 0.00 C ATOM 83 O LYS A 9 2.760 22.483 13.379 1.00 0.00 O ATOM 84 CB LYS A 9 2.683 25.386 12.318 1.00 0.00 C ATOM 85 CG LYS A 9 2.526 26.894 12.243 1.00 0.00 C ATOM 86 CD LYS A 9 1.066 27.307 12.324 1.00 0.00 C ATOM 87 CE LYS A 9 0.392 27.243 10.962 1.00 0.00 C ATOM 88 NZ LYS A 9 0.859 28.333 10.061 1.00 0.00 N ATOM 0 H LYS A 9 4.767 23.900 13.855 1.00 0.00 H new ATOM 0 HA LYS A 9 2.440 25.544 14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.523 25.085 11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.792 24.915 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.082 27.360 13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.957 27.260 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.541 26.655 13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.995 28.320 12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.597 26.277 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.688 27.313 11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.192 28.439 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.910 29.225 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.801 28.097 9.690 1.00 0.00 H new ATOM 102 N PRO A 10 1.136 23.438 14.614 1.00 0.00 N ATOM 103 CA PRO A 10 0.401 22.192 14.850 1.00 0.00 C ATOM 104 C PRO A 10 -0.269 21.666 13.585 1.00 0.00 C ATOM 105 O PRO A 10 -0.713 22.440 12.737 1.00 0.00 O ATOM 106 CB PRO A 10 -0.653 22.593 15.885 1.00 0.00 C ATOM 107 CG PRO A 10 -0.848 24.056 15.681 1.00 0.00 C ATOM 108 CD PRO A 10 0.489 24.596 15.254 1.00 0.00 C ATOM 0 HA PRO A 10 1.058 21.387 15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.583 22.045 15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.315 22.376 16.898 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.606 24.247 14.922 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.188 24.536 16.599 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.383 25.431 14.561 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.066 24.959 16.104 1.00 0.00 H new ATOM 116 N LEU A 11 -0.338 20.345 13.464 1.00 0.00 N ATOM 117 CA LEU A 11 -0.954 19.714 12.302 1.00 0.00 C ATOM 118 C LEU A 11 -2.380 19.272 12.614 1.00 0.00 C ATOM 119 O LEU A 11 -2.655 18.736 13.688 1.00 0.00 O ATOM 120 CB LEU A 11 -0.123 18.512 11.849 1.00 0.00 C ATOM 121 CG LEU A 11 -0.434 17.968 10.454 1.00 0.00 C ATOM 122 CD1 LEU A 11 0.100 18.906 9.384 1.00 0.00 C ATOM 123 CD2 LEU A 11 0.149 16.573 10.283 1.00 0.00 C ATOM 0 H LEU A 11 0.025 19.690 14.156 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.989 20.448 11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.930 18.791 11.882 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.262 17.707 12.570 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.516 17.903 10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.131 18.502 8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.366 19.885 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.180 19.004 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.082 16.202 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.230 16.612 10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.283 15.904 11.028 1.00 0.00 H new ATOM 135 N LYS A 12 -3.285 19.500 11.668 1.00 0.00 N ATOM 136 CA LYS A 12 -4.683 19.123 11.839 1.00 0.00 C ATOM 137 C LYS A 12 -5.163 18.270 10.670 1.00 0.00 C ATOM 138 O LYS A 12 -4.763 18.484 9.527 1.00 0.00 O ATOM 139 CB LYS A 12 -5.557 20.373 11.966 1.00 0.00 C ATOM 140 CG LYS A 12 -5.651 20.909 13.384 1.00 0.00 C ATOM 141 CD LYS A 12 -4.551 21.917 13.672 1.00 0.00 C ATOM 142 CE LYS A 12 -4.590 22.385 15.119 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.313 21.273 16.070 1.00 0.00 N ATOM 0 H LYS A 12 -3.075 19.944 10.774 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.766 18.535 12.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.157 21.153 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.560 20.143 11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.624 21.378 13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.583 20.083 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.580 21.469 13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.659 22.775 13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.856 23.178 15.264 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.569 22.813 15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.097 21.665 17.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.148 20.656 16.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.500 20.720 15.731 1.00 0.00 H new ATOM 157 N ASN A 13 -6.026 17.302 10.965 1.00 0.00 N ATOM 158 CA ASN A 13 -6.561 16.417 9.937 1.00 0.00 C ATOM 159 C ASN A 13 -7.955 16.864 9.507 1.00 0.00 C ATOM 160 O ASN A 13 -8.952 16.532 10.150 1.00 0.00 O ATOM 161 CB ASN A 13 -6.612 14.976 10.451 1.00 0.00 C ATOM 162 CG ASN A 13 -7.349 14.859 11.771 1.00 0.00 C ATOM 163 OD1 ASN A 13 -6.895 15.368 12.796 1.00 0.00 O ATOM 164 ND2 ASN A 13 -8.493 14.185 11.752 1.00 0.00 N ATOM 0 H ASN A 13 -6.369 17.111 11.906 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.900 16.464 9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.100 14.345 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.596 14.600 10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.033 14.073 12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.832 13.780 10.879 1.00 0.00 H new ATOM 171 N LEU A 14 -8.017 17.618 8.415 1.00 0.00 N ATOM 172 CA LEU A 14 -9.289 18.110 7.897 1.00 0.00 C ATOM 173 C LEU A 14 -9.666 17.391 6.605 1.00 0.00 C ATOM 174 O LEU A 14 -10.717 16.755 6.522 1.00 0.00 O ATOM 175 CB LEU A 14 -9.212 19.618 7.650 1.00 0.00 C ATOM 176 CG LEU A 14 -10.328 20.216 6.793 1.00 0.00 C ATOM 177 CD1 LEU A 14 -11.676 20.048 7.477 1.00 0.00 C ATOM 178 CD2 LEU A 14 -10.052 21.685 6.507 1.00 0.00 C ATOM 0 H LEU A 14 -7.202 17.902 7.871 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.059 17.908 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.212 20.124 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.257 19.840 7.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.357 19.681 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.458 20.480 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.877 18.988 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.661 20.556 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.857 22.094 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.995 22.234 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.106 21.780 5.973 1.00 0.00 H new ATOM 190 N ASP A 15 -8.802 17.496 5.602 1.00 0.00 N ATOM 191 CA ASP A 15 -9.043 16.853 4.315 1.00 0.00 C ATOM 192 C ASP A 15 -9.289 15.358 4.493 1.00 0.00 C ATOM 193 O ASP A 15 -10.194 14.791 3.883 1.00 0.00 O ATOM 194 CB ASP A 15 -7.856 17.079 3.378 1.00 0.00 C ATOM 195 CG ASP A 15 -8.266 17.103 1.919 1.00 0.00 C ATOM 196 OD1 ASP A 15 -9.125 16.284 1.531 1.00 0.00 O ATOM 197 OD2 ASP A 15 -7.729 17.941 1.164 1.00 0.00 O ATOM 0 H ASP A 15 -7.928 18.020 5.655 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.934 17.300 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.371 18.022 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.120 16.290 3.532 1.00 0.00 H new ATOM 202 N GLY A 16 -8.475 14.724 5.332 1.00 0.00 N ATOM 203 CA GLY A 16 -8.621 13.301 5.574 1.00 0.00 C ATOM 204 C GLY A 16 -7.522 12.487 4.919 1.00 0.00 C ATOM 205 O GLY A 16 -7.011 11.535 5.509 1.00 0.00 O ATOM 0 H GLY A 16 -7.717 15.171 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.616 13.116 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.589 12.969 5.198 1.00 0.00 H new ATOM 209 N GLN A 17 -7.160 12.860 3.696 1.00 0.00 N ATOM 210 CA GLN A 17 -6.117 12.155 2.960 1.00 0.00 C ATOM 211 C GLN A 17 -4.982 11.738 3.890 1.00 0.00 C ATOM 212 O GLN A 17 -4.301 10.742 3.646 1.00 0.00 O ATOM 213 CB GLN A 17 -5.572 13.037 1.835 1.00 0.00 C ATOM 214 CG GLN A 17 -6.572 13.282 0.716 1.00 0.00 C ATOM 215 CD GLN A 17 -7.182 11.999 0.187 1.00 0.00 C ATOM 216 OE1 GLN A 17 -6.629 10.914 0.369 1.00 0.00 O ATOM 217 NE2 GLN A 17 -8.328 12.117 -0.473 1.00 0.00 N ATOM 0 H GLN A 17 -7.573 13.646 3.194 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.557 11.257 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.264 13.996 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.680 12.570 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.366 13.934 1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.077 13.808 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.751 13.036 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.786 11.288 -0.853 1.00 0.00 H new ATOM 226 N PHE A 18 -4.784 12.506 4.956 1.00 0.00 N ATOM 227 CA PHE A 18 -3.731 12.217 5.922 1.00 0.00 C ATOM 228 C PHE A 18 -3.920 10.832 6.534 1.00 0.00 C ATOM 229 O PHE A 18 -4.928 10.562 7.187 1.00 0.00 O ATOM 230 CB PHE A 18 -3.716 13.277 7.025 1.00 0.00 C ATOM 231 CG PHE A 18 -3.511 14.674 6.512 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.587 15.436 6.089 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.240 15.224 6.453 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.401 16.722 5.616 1.00 0.00 C ATOM 235 CE2 PHE A 18 -2.048 16.509 5.982 1.00 0.00 C ATOM 236 CZ PHE A 18 -3.130 17.258 5.562 1.00 0.00 C ATOM 0 H PHE A 18 -5.339 13.334 5.173 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.776 12.236 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.658 13.234 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.924 13.040 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.583 15.021 6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.391 14.642 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.249 17.306 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.053 16.927 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.982 18.262 5.192 1.00 0.00 H new ATOM 246 N CYS A 19 -2.942 9.958 6.317 1.00 0.00 N ATOM 247 CA CYS A 19 -2.999 8.601 6.846 1.00 0.00 C ATOM 248 C CYS A 19 -3.479 8.600 8.294 1.00 0.00 C ATOM 249 O CYS A 19 -3.240 9.551 9.037 1.00 0.00 O ATOM 250 CB CYS A 19 -1.624 7.937 6.752 1.00 0.00 C ATOM 251 SG CYS A 19 -1.537 6.294 7.535 1.00 0.00 S ATOM 0 H CYS A 19 -2.101 10.166 5.779 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.711 8.034 6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.349 7.842 5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.885 8.589 7.217 1.00 0.00 H new ATOM 256 N GLU A 20 -4.156 7.526 8.687 1.00 0.00 N ATOM 257 CA GLU A 20 -4.669 7.402 10.047 1.00 0.00 C ATOM 258 C GLU A 20 -3.769 6.503 10.889 1.00 0.00 C ATOM 259 O GLU A 20 -3.518 6.782 12.061 1.00 0.00 O ATOM 260 CB GLU A 20 -6.094 6.844 10.029 1.00 0.00 C ATOM 261 CG GLU A 20 -7.161 7.904 9.817 1.00 0.00 C ATOM 262 CD GLU A 20 -7.474 8.678 11.084 1.00 0.00 C ATOM 263 OE1 GLU A 20 -6.537 9.255 11.674 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.656 8.705 11.484 1.00 0.00 O ATOM 0 H GLU A 20 -4.362 6.730 8.084 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.681 8.395 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.173 6.098 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.286 6.331 10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.830 8.598 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.072 7.430 9.451 1.00 0.00 H new ATOM 271 N ILE A 21 -3.287 5.423 10.282 1.00 0.00 N ATOM 272 CA ILE A 21 -2.415 4.483 10.975 1.00 0.00 C ATOM 273 C ILE A 21 -1.309 5.214 11.729 1.00 0.00 C ATOM 274 O ILE A 21 -1.242 5.162 12.958 1.00 0.00 O ATOM 275 CB ILE A 21 -1.777 3.480 9.996 1.00 0.00 C ATOM 276 CG1 ILE A 21 -2.862 2.669 9.285 1.00 0.00 C ATOM 277 CG2 ILE A 21 -0.816 2.559 10.732 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.320 1.727 8.232 1.00 0.00 C ATOM 0 H ILE A 21 -3.486 5.178 9.312 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.038 3.939 11.685 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.214 4.035 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.417 2.093 10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.569 3.354 8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.373 1.856 10.026 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.028 3.152 11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.357 2.008 11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.145 1.185 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.789 2.299 7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.635 1.018 8.696 1.00 0.00 H new ATOM 290 N CYS A 22 -0.444 5.895 10.986 1.00 0.00 N ATOM 291 CA CYS A 22 0.660 6.637 11.583 1.00 0.00 C ATOM 292 C CYS A 22 0.280 8.101 11.791 1.00 0.00 C ATOM 293 O CYS A 22 0.512 8.668 12.858 1.00 0.00 O ATOM 294 CB CYS A 22 1.904 6.542 10.699 1.00 0.00 C ATOM 295 SG CYS A 22 1.700 7.280 9.046 1.00 0.00 S ATOM 0 H CYS A 22 -0.486 5.949 9.968 1.00 0.00 H new ATOM 0 HA CYS A 22 0.880 6.194 12.555 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.735 7.034 11.205 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.177 5.493 10.586 1.00 0.00 H new ATOM 300 N GLY A 23 -0.304 8.707 10.762 1.00 0.00 N ATOM 301 CA GLY A 23 -0.707 10.099 10.852 1.00 0.00 C ATOM 302 C GLY A 23 -0.176 10.931 9.702 1.00 0.00 C ATOM 303 O GLY A 23 -0.861 11.826 9.206 1.00 0.00 O ATOM 0 H GLY A 23 -0.505 8.259 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.795 10.159 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.351 10.517 11.794 1.00 0.00 H new ATOM 307 N ASP A 24 1.048 10.636 9.276 1.00 0.00 N ATOM 308 CA ASP A 24 1.671 11.365 8.177 1.00 0.00 C ATOM 309 C ASP A 24 0.666 11.625 7.059 1.00 0.00 C ATOM 310 O ASP A 24 -0.394 11.002 7.007 1.00 0.00 O ATOM 311 CB ASP A 24 2.867 10.583 7.632 1.00 0.00 C ATOM 312 CG ASP A 24 3.955 11.490 7.092 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.720 12.049 7.906 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.041 11.642 5.856 1.00 0.00 O ATOM 0 H ASP A 24 1.628 9.898 9.675 1.00 0.00 H new ATOM 0 HA ASP A 24 2.018 12.325 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.279 9.957 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.530 9.914 6.840 1.00 0.00 H new ATOM 319 N GLN A 25 1.006 12.551 6.168 1.00 0.00 N ATOM 320 CA GLN A 25 0.132 12.895 5.053 1.00 0.00 C ATOM 321 C GLN A 25 0.399 11.991 3.854 1.00 0.00 C ATOM 322 O GLN A 25 1.505 11.968 3.315 1.00 0.00 O ATOM 323 CB GLN A 25 0.329 14.359 4.656 1.00 0.00 C ATOM 324 CG GLN A 25 -0.644 14.837 3.590 1.00 0.00 C ATOM 325 CD GLN A 25 -0.395 16.273 3.173 1.00 0.00 C ATOM 326 OE1 GLN A 25 0.142 17.070 3.943 1.00 0.00 O ATOM 327 NE2 GLN A 25 -0.784 16.610 1.949 1.00 0.00 N ATOM 0 H GLN A 25 1.880 13.076 6.197 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.899 12.748 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.220 14.985 5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.348 14.494 4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.566 14.190 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.663 14.743 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.225 15.916 1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.642 17.562 1.613 1.00 0.00 H new ATOM 336 N ILE A 26 -0.623 11.247 3.442 1.00 0.00 N ATOM 337 CA ILE A 26 -0.498 10.341 2.307 1.00 0.00 C ATOM 338 C ILE A 26 -0.047 11.087 1.056 1.00 0.00 C ATOM 339 O ILE A 26 -0.820 11.826 0.448 1.00 0.00 O ATOM 340 CB ILE A 26 -1.829 9.624 2.011 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.261 8.787 3.216 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.695 8.749 0.773 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.587 8.086 3.021 1.00 0.00 C ATOM 0 H ILE A 26 -1.546 11.254 3.877 1.00 0.00 H new ATOM 0 HA ILE A 26 0.254 9.599 2.576 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.595 10.376 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.493 8.042 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.326 9.432 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.643 8.249 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.427 9.368 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.918 8.002 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.830 7.512 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.367 8.826 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.521 7.414 2.165 1.00 0.00 H new ATOM 355 N GLY A 27 1.211 10.886 0.675 1.00 0.00 N ATOM 356 CA GLY A 27 1.744 11.545 -0.503 1.00 0.00 C ATOM 357 C GLY A 27 0.951 11.226 -1.755 1.00 0.00 C ATOM 358 O GLY A 27 -0.238 10.910 -1.682 1.00 0.00 O ATOM 0 H GLY A 27 1.870 10.278 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.746 12.623 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.781 11.242 -0.647 1.00 0.00 H new ATOM 362 N LEU A 28 1.607 11.308 -2.907 1.00 0.00 N ATOM 363 CA LEU A 28 0.955 11.027 -4.181 1.00 0.00 C ATOM 364 C LEU A 28 1.451 9.709 -4.767 1.00 0.00 C ATOM 365 O LEU A 28 2.431 9.134 -4.291 1.00 0.00 O ATOM 366 CB LEU A 28 1.212 12.166 -5.170 1.00 0.00 C ATOM 367 CG LEU A 28 0.749 13.555 -4.729 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.157 14.603 -5.752 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.758 13.572 -4.516 1.00 0.00 C ATOM 0 H LEU A 28 2.590 11.567 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.117 10.944 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.282 12.209 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.718 11.922 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 28 1.232 13.795 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.819 15.585 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.242 14.608 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.703 14.368 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.070 14.568 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.260 13.311 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.025 12.849 -3.745 1.00 0.00 H new ATOM 381 N THR A 29 0.768 9.234 -5.804 1.00 0.00 N ATOM 382 CA THR A 29 1.138 7.984 -6.456 1.00 0.00 C ATOM 383 C THR A 29 2.224 8.210 -7.502 1.00 0.00 C ATOM 384 O THR A 29 2.538 9.349 -7.849 1.00 0.00 O ATOM 385 CB THR A 29 -0.078 7.320 -7.129 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.629 8.196 -8.119 1.00 0.00 O ATOM 387 CG2 THR A 29 -1.144 6.974 -6.101 1.00 0.00 C ATOM 0 H THR A 29 -0.045 9.697 -6.211 1.00 0.00 H new ATOM 0 HA THR A 29 1.519 7.322 -5.678 1.00 0.00 H new ATOM 0 HB THR A 29 0.257 6.399 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.097 8.935 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.993 6.506 -6.600 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.730 6.284 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.474 7.883 -5.599 1.00 0.00 H new ATOM 395 N VAL A 30 2.794 7.119 -8.002 1.00 0.00 N ATOM 396 CA VAL A 30 3.843 7.198 -9.011 1.00 0.00 C ATOM 397 C VAL A 30 3.490 8.212 -10.093 1.00 0.00 C ATOM 398 O VAL A 30 4.337 8.993 -10.525 1.00 0.00 O ATOM 399 CB VAL A 30 4.094 5.828 -9.669 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.174 5.937 -10.735 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.473 4.795 -8.618 1.00 0.00 C ATOM 0 H VAL A 30 2.547 6.169 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 30 4.750 7.518 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 30 3.173 5.502 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.337 4.959 -11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.858 6.645 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.101 6.285 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.647 3.833 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.381 5.114 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.663 4.698 -7.895 1.00 0.00 H new ATOM 411 N GLU A 31 2.233 8.193 -10.526 1.00 0.00 N ATOM 412 CA GLU A 31 1.768 9.112 -11.559 1.00 0.00 C ATOM 413 C GLU A 31 1.580 10.516 -10.993 1.00 0.00 C ATOM 414 O GLU A 31 2.116 11.488 -11.524 1.00 0.00 O ATOM 415 CB GLU A 31 0.453 8.613 -12.162 1.00 0.00 C ATOM 416 CG GLU A 31 0.595 7.315 -12.940 1.00 0.00 C ATOM 417 CD GLU A 31 -0.731 6.605 -13.135 1.00 0.00 C ATOM 418 OE1 GLU A 31 -1.598 7.151 -13.849 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.900 5.502 -12.574 1.00 0.00 O ATOM 0 H GLU A 31 1.519 7.552 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 31 2.526 9.153 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.273 8.470 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.051 9.381 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.037 7.526 -13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.283 6.654 -12.414 1.00 0.00 H new ATOM 426 N GLY A 32 0.813 10.615 -9.912 1.00 0.00 N ATOM 427 CA GLY A 32 0.566 11.903 -9.292 1.00 0.00 C ATOM 428 C GLY A 32 -0.719 11.924 -8.488 1.00 0.00 C ATOM 429 O GLY A 32 -0.833 12.656 -7.505 1.00 0.00 O ATOM 0 H GLY A 32 0.358 9.825 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.403 12.155 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.520 12.671 -10.064 1.00 0.00 H new ATOM 433 N ASP A 33 -1.690 11.120 -8.908 1.00 0.00 N ATOM 434 CA ASP A 33 -2.975 11.049 -8.221 1.00 0.00 C ATOM 435 C ASP A 33 -2.787 10.666 -6.757 1.00 0.00 C ATOM 436 O ASP A 33 -1.741 10.144 -6.369 1.00 0.00 O ATOM 437 CB ASP A 33 -3.891 10.038 -8.912 1.00 0.00 C ATOM 438 CG ASP A 33 -4.248 10.452 -10.326 1.00 0.00 C ATOM 439 OD1 ASP A 33 -5.181 11.265 -10.489 1.00 0.00 O ATOM 440 OD2 ASP A 33 -3.593 9.963 -11.271 1.00 0.00 O ATOM 0 H ASP A 33 -1.612 10.508 -9.721 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.438 12.035 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.401 9.064 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.805 9.922 -8.329 1.00 0.00 H new ATOM 445 N LEU A 34 -3.806 10.929 -5.946 1.00 0.00 N ATOM 446 CA LEU A 34 -3.754 10.613 -4.523 1.00 0.00 C ATOM 447 C LEU A 34 -3.733 9.105 -4.301 1.00 0.00 C ATOM 448 O LEU A 34 -4.579 8.378 -4.824 1.00 0.00 O ATOM 449 CB LEU A 34 -4.952 11.231 -3.799 1.00 0.00 C ATOM 450 CG LEU A 34 -4.892 11.217 -2.271 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.739 9.795 -1.756 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.752 12.093 -1.774 1.00 0.00 C ATOM 0 H LEU A 34 -4.679 11.361 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.835 11.034 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.057 12.264 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.853 10.703 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.828 11.622 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.698 9.805 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.590 9.197 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.819 9.362 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.725 12.071 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.807 11.719 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.906 13.118 -2.112 1.00 0.00 H new ATOM 464 N PHE A 35 -2.763 8.640 -3.520 1.00 0.00 N ATOM 465 CA PHE A 35 -2.633 7.217 -3.227 1.00 0.00 C ATOM 466 C PHE A 35 -3.856 6.703 -2.473 1.00 0.00 C ATOM 467 O PHE A 35 -3.992 6.918 -1.269 1.00 0.00 O ATOM 468 CB PHE A 35 -1.368 6.958 -2.407 1.00 0.00 C ATOM 469 CG PHE A 35 -1.101 5.500 -2.163 1.00 0.00 C ATOM 470 CD1 PHE A 35 -1.081 4.600 -3.216 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.869 5.030 -0.880 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.836 3.258 -2.993 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.623 3.689 -0.651 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.606 2.802 -1.710 1.00 0.00 C ATOM 0 H PHE A 35 -2.056 9.228 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.560 6.681 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.513 7.394 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.455 7.469 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.259 4.951 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.881 5.720 -0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.824 2.566 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.444 3.336 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.413 1.754 -1.535 1.00 0.00 H new ATOM 484 N VAL A 36 -4.745 6.024 -3.192 1.00 0.00 N ATOM 485 CA VAL A 36 -5.956 5.478 -2.592 1.00 0.00 C ATOM 486 C VAL A 36 -5.732 4.053 -2.099 1.00 0.00 C ATOM 487 O VAL A 36 -6.110 3.089 -2.763 1.00 0.00 O ATOM 488 CB VAL A 36 -7.129 5.486 -3.590 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.373 4.880 -2.958 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.404 6.900 -4.078 1.00 0.00 C ATOM 0 H VAL A 36 -4.649 5.839 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.205 6.117 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.854 4.876 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.191 4.894 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.167 3.851 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.654 5.460 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.236 6.887 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.658 7.535 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.516 7.293 -4.573 1.00 0.00 H new ATOM 500 N ALA A 37 -5.114 3.928 -0.929 1.00 0.00 N ATOM 501 CA ALA A 37 -4.842 2.621 -0.345 1.00 0.00 C ATOM 502 C ALA A 37 -6.082 1.735 -0.379 1.00 0.00 C ATOM 503 O ALA A 37 -6.057 0.636 -0.934 1.00 0.00 O ATOM 504 CB ALA A 37 -4.340 2.775 1.084 1.00 0.00 C ATOM 0 H ALA A 37 -4.792 4.716 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.067 2.139 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.141 1.791 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.422 3.363 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.097 3.282 1.683 1.00 0.00 H new ATOM 510 N CYS A 38 -7.166 2.219 0.217 1.00 0.00 N ATOM 511 CA CYS A 38 -8.417 1.471 0.256 1.00 0.00 C ATOM 512 C CYS A 38 -9.550 2.271 -0.379 1.00 0.00 C ATOM 513 O CYS A 38 -9.651 3.482 -0.188 1.00 0.00 O ATOM 514 CB CYS A 38 -8.777 1.114 1.700 1.00 0.00 C ATOM 515 SG CYS A 38 -9.935 -0.284 1.853 1.00 0.00 S ATOM 0 H CYS A 38 -7.204 3.127 0.680 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.280 0.553 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.862 0.876 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.214 1.989 2.181 1.00 0.00 H new ATOM 520 N ASN A 39 -10.400 1.585 -1.135 1.00 0.00 N ATOM 521 CA ASN A 39 -11.526 2.232 -1.800 1.00 0.00 C ATOM 522 C ASN A 39 -12.851 1.751 -1.216 1.00 0.00 C ATOM 523 O ASN A 39 -13.785 2.533 -1.045 1.00 0.00 O ATOM 524 CB ASN A 39 -11.487 1.953 -3.304 1.00 0.00 C ATOM 525 CG ASN A 39 -12.513 2.766 -4.069 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.671 2.367 -4.193 1.00 0.00 O ATOM 527 ND2 ASN A 39 -12.091 3.913 -4.588 1.00 0.00 N ATOM 0 H ASN A 39 -10.331 0.581 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.445 3.306 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.491 2.177 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.665 0.892 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.736 4.503 -5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.122 4.205 -4.460 1.00 0.00 H new ATOM 534 N GLU A 40 -12.923 0.458 -0.913 1.00 0.00 N ATOM 535 CA GLU A 40 -14.134 -0.127 -0.349 1.00 0.00 C ATOM 536 C GLU A 40 -14.697 0.754 0.763 1.00 0.00 C ATOM 537 O GLU A 40 -15.833 1.222 0.685 1.00 0.00 O ATOM 538 CB GLU A 40 -13.846 -1.529 0.192 1.00 0.00 C ATOM 539 CG GLU A 40 -13.794 -2.598 -0.886 1.00 0.00 C ATOM 540 CD GLU A 40 -15.148 -3.229 -1.148 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.693 -3.869 -0.226 1.00 0.00 O ATOM 542 OE2 GLU A 40 -15.662 -3.081 -2.277 1.00 0.00 O ATOM 0 H GLU A 40 -12.158 -0.203 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.877 -0.198 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.895 -1.516 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.614 -1.794 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.417 -2.159 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.087 -3.373 -0.590 1.00 0.00 H new ATOM 549 N CYS A 41 -13.893 0.974 1.798 1.00 0.00 N ATOM 550 CA CYS A 41 -14.309 1.797 2.928 1.00 0.00 C ATOM 551 C CYS A 41 -13.692 3.190 2.843 1.00 0.00 C ATOM 552 O CYS A 41 -14.332 4.185 3.179 1.00 0.00 O ATOM 553 CB CYS A 41 -13.910 1.130 4.246 1.00 0.00 C ATOM 554 SG CYS A 41 -12.167 1.385 4.710 1.00 0.00 S ATOM 0 H CYS A 41 -12.950 0.594 1.878 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.394 1.897 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.547 1.514 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.102 0.060 4.172 1.00 0.00 H new ATOM 559 N GLY A 42 -12.444 3.252 2.390 1.00 0.00 N ATOM 560 CA GLY A 42 -11.761 4.526 2.269 1.00 0.00 C ATOM 561 C GLY A 42 -10.808 4.786 3.419 1.00 0.00 C ATOM 562 O GLY A 42 -10.657 5.924 3.865 1.00 0.00 O ATOM 0 H GLY A 42 -11.894 2.442 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.207 4.550 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.499 5.327 2.225 1.00 0.00 H new ATOM 566 N PHE A 43 -10.165 3.728 3.903 1.00 0.00 N ATOM 567 CA PHE A 43 -9.224 3.847 5.011 1.00 0.00 C ATOM 568 C PHE A 43 -7.927 4.508 4.554 1.00 0.00 C ATOM 569 O PHE A 43 -7.207 3.994 3.698 1.00 0.00 O ATOM 570 CB PHE A 43 -8.926 2.468 5.604 1.00 0.00 C ATOM 571 CG PHE A 43 -7.904 2.498 6.704 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.152 3.187 7.880 1.00 0.00 C ATOM 573 CD2 PHE A 43 -6.696 1.835 6.563 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.213 3.217 8.894 1.00 0.00 C ATOM 575 CE2 PHE A 43 -5.753 1.860 7.574 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.013 2.551 8.741 1.00 0.00 C ATOM 0 H PHE A 43 -10.278 2.779 3.546 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.680 4.474 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.851 2.039 5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.575 1.808 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.090 3.707 8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.488 1.292 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.418 3.761 9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.815 1.340 7.451 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.279 2.571 9.533 1.00 0.00 H new ATOM 586 N PRO A 44 -7.621 5.676 5.139 1.00 0.00 N ATOM 587 CA PRO A 44 -6.411 6.433 4.808 1.00 0.00 C ATOM 588 C PRO A 44 -5.143 5.743 5.301 1.00 0.00 C ATOM 589 O PRO A 44 -4.831 5.773 6.491 1.00 0.00 O ATOM 590 CB PRO A 44 -6.614 7.763 5.539 1.00 0.00 C ATOM 591 CG PRO A 44 -7.530 7.439 6.668 1.00 0.00 C ATOM 592 CD PRO A 44 -8.434 6.347 6.167 1.00 0.00 C ATOM 0 HA PRO A 44 -6.278 6.538 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.667 8.165 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.048 8.515 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.970 7.111 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.105 8.315 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.717 5.662 6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.357 6.749 5.750 1.00 0.00 H new ATOM 600 N ALA A 45 -4.416 5.123 4.377 1.00 0.00 N ATOM 601 CA ALA A 45 -3.181 4.428 4.717 1.00 0.00 C ATOM 602 C ALA A 45 -2.085 4.725 3.699 1.00 0.00 C ATOM 603 O ALA A 45 -2.139 4.260 2.560 1.00 0.00 O ATOM 604 CB ALA A 45 -3.427 2.929 4.809 1.00 0.00 C ATOM 0 H ALA A 45 -4.661 5.088 3.388 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.845 4.790 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.496 2.422 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.171 2.729 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.790 2.560 3.850 1.00 0.00 H new ATOM 610 N CYS A 46 -1.092 5.504 4.116 1.00 0.00 N ATOM 611 CA CYS A 46 0.016 5.865 3.240 1.00 0.00 C ATOM 612 C CYS A 46 0.614 4.625 2.580 1.00 0.00 C ATOM 613 O CYS A 46 0.157 3.506 2.810 1.00 0.00 O ATOM 614 CB CYS A 46 1.096 6.607 4.029 1.00 0.00 C ATOM 615 SG CYS A 46 1.796 5.649 5.412 1.00 0.00 S ATOM 0 H CYS A 46 -1.032 5.897 5.055 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.369 6.521 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.901 6.885 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.674 7.533 4.419 1.00 0.00 H new ATOM 620 N ARG A 47 1.638 4.835 1.759 1.00 0.00 N ATOM 621 CA ARG A 47 2.298 3.735 1.065 1.00 0.00 C ATOM 622 C ARG A 47 3.027 2.829 2.052 1.00 0.00 C ATOM 623 O ARG A 47 2.847 1.611 2.064 1.00 0.00 O ATOM 624 CB ARG A 47 3.284 4.277 0.029 1.00 0.00 C ATOM 625 CG ARG A 47 3.422 3.394 -1.200 1.00 0.00 C ATOM 626 CD ARG A 47 3.755 4.211 -2.439 1.00 0.00 C ATOM 627 NE ARG A 47 2.560 4.552 -3.207 1.00 0.00 N ATOM 628 CZ ARG A 47 2.571 4.802 -4.511 1.00 0.00 C ATOM 629 NH1 ARG A 47 3.709 4.750 -5.190 1.00 0.00 N ATOM 630 NH2 ARG A 47 1.443 5.105 -5.140 1.00 0.00 N ATOM 0 H ARG A 47 2.028 5.756 1.558 1.00 0.00 H new ATOM 0 HA ARG A 47 1.533 3.148 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.961 5.271 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.262 4.391 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.203 2.653 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.493 2.847 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.269 5.126 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.443 3.649 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 47 1.668 4.601 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.579 4.517 -4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.714 4.942 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.565 5.146 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.453 5.297 -6.142 1.00 0.00 H new ATOM 644 N PRO A 48 3.872 3.435 2.900 1.00 0.00 N ATOM 645 CA PRO A 48 4.645 2.702 3.906 1.00 0.00 C ATOM 646 C PRO A 48 3.767 2.148 5.023 1.00 0.00 C ATOM 647 O PRO A 48 4.258 1.791 6.094 1.00 0.00 O ATOM 648 CB PRO A 48 5.605 3.759 4.455 1.00 0.00 C ATOM 649 CG PRO A 48 4.916 5.058 4.215 1.00 0.00 C ATOM 650 CD PRO A 48 4.136 4.883 2.942 1.00 0.00 C ATOM 0 HA PRO A 48 5.145 1.832 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.799 3.604 5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.568 3.722 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.256 5.309 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.636 5.871 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.211 5.460 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.706 5.213 2.073 1.00 0.00 H new ATOM 658 N CYS A 49 2.465 2.078 4.766 1.00 0.00 N ATOM 659 CA CYS A 49 1.517 1.568 5.749 1.00 0.00 C ATOM 660 C CYS A 49 0.666 0.450 5.154 1.00 0.00 C ATOM 661 O CYS A 49 0.393 -0.554 5.813 1.00 0.00 O ATOM 662 CB CYS A 49 0.615 2.697 6.252 1.00 0.00 C ATOM 663 SG CYS A 49 1.241 3.540 7.741 1.00 0.00 S ATOM 0 H CYS A 49 2.042 2.368 3.884 1.00 0.00 H new ATOM 0 HA CYS A 49 2.084 1.163 6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.492 3.432 5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.373 2.290 6.466 1.00 0.00 H new ATOM 668 N TYR A 50 0.251 0.630 3.906 1.00 0.00 N ATOM 669 CA TYR A 50 -0.571 -0.363 3.223 1.00 0.00 C ATOM 670 C TYR A 50 0.275 -1.545 2.760 1.00 0.00 C ATOM 671 O TYR A 50 -0.140 -2.698 2.868 1.00 0.00 O ATOM 672 CB TYR A 50 -1.281 0.270 2.025 1.00 0.00 C ATOM 673 CG TYR A 50 -1.921 -0.739 1.099 1.00 0.00 C ATOM 674 CD1 TYR A 50 -1.145 -1.616 0.351 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.303 -0.816 0.972 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.726 -2.539 -0.497 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.893 -1.737 0.128 1.00 0.00 C ATOM 678 CZ TYR A 50 -3.100 -2.596 -0.605 1.00 0.00 C ATOM 679 OH TYR A 50 -3.683 -3.515 -1.448 1.00 0.00 O ATOM 0 H TYR A 50 0.470 1.454 3.346 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.317 -0.728 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.047 0.955 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.563 0.865 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.069 -1.575 0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.927 -0.144 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.108 -3.212 -1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.969 -1.784 0.042 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.405 -3.335 -2.370 1.00 0.00 H new ATOM 689 N GLU A 51 1.465 -1.248 2.246 1.00 0.00 N ATOM 690 CA GLU A 51 2.369 -2.286 1.767 1.00 0.00 C ATOM 691 C GLU A 51 2.740 -3.247 2.893 1.00 0.00 C ATOM 692 O GLU A 51 2.573 -4.461 2.768 1.00 0.00 O ATOM 693 CB GLU A 51 3.636 -1.659 1.180 1.00 0.00 C ATOM 694 CG GLU A 51 3.363 -0.683 0.048 1.00 0.00 C ATOM 695 CD GLU A 51 4.461 0.350 -0.109 1.00 0.00 C ATOM 696 OE1 GLU A 51 4.827 0.984 0.903 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.954 0.527 -1.243 1.00 0.00 O ATOM 0 H GLU A 51 1.824 -0.298 2.151 1.00 0.00 H new ATOM 0 HA GLU A 51 1.855 -2.848 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.176 -1.141 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.289 -2.452 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.253 -1.236 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.416 -0.176 0.231 1.00 0.00 H new ATOM 704 N TYR A 52 3.244 -2.696 3.991 1.00 0.00 N ATOM 705 CA TYR A 52 3.641 -3.503 5.139 1.00 0.00 C ATOM 706 C TYR A 52 2.521 -4.455 5.549 1.00 0.00 C ATOM 707 O TYR A 52 2.767 -5.616 5.872 1.00 0.00 O ATOM 708 CB TYR A 52 4.018 -2.603 6.316 1.00 0.00 C ATOM 709 CG TYR A 52 3.741 -3.224 7.667 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.507 -4.284 8.136 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.713 -2.751 8.473 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.256 -4.855 9.369 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.457 -3.315 9.708 1.00 0.00 C ATOM 714 CZ TYR A 52 3.231 -4.367 10.151 1.00 0.00 C ATOM 715 OH TYR A 52 2.979 -4.932 11.380 1.00 0.00 O ATOM 0 H TYR A 52 3.388 -1.693 4.111 1.00 0.00 H new ATOM 0 HA TYR A 52 4.510 -4.096 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.078 -2.357 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.467 -1.666 6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.312 -4.668 7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.104 -1.929 8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.860 -5.679 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.655 -2.934 10.323 1.00 0.00 H new ATOM 0 HH TYR A 52 2.225 -4.471 11.804 1.00 0.00 H new ATOM 725 N GLU A 53 1.291 -3.952 5.533 1.00 0.00 N ATOM 726 CA GLU A 53 0.133 -4.757 5.904 1.00 0.00 C ATOM 727 C GLU A 53 0.064 -6.030 5.066 1.00 0.00 C ATOM 728 O GLU A 53 -0.490 -7.041 5.497 1.00 0.00 O ATOM 729 CB GLU A 53 -1.155 -3.949 5.729 1.00 0.00 C ATOM 730 CG GLU A 53 -2.350 -4.542 6.456 1.00 0.00 C ATOM 731 CD GLU A 53 -2.418 -4.116 7.910 1.00 0.00 C ATOM 732 OE1 GLU A 53 -3.011 -3.053 8.190 1.00 0.00 O ATOM 733 OE2 GLU A 53 -1.879 -4.846 8.768 1.00 0.00 O ATOM 0 H GLU A 53 1.071 -2.992 5.268 1.00 0.00 H new ATOM 0 HA GLU A 53 0.239 -5.037 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.989 -2.934 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.387 -3.876 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.266 -4.239 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.301 -5.630 6.402 1.00 0.00 H new ATOM 740 N ARG A 54 0.632 -5.973 3.865 1.00 0.00 N ATOM 741 CA ARG A 54 0.634 -7.120 2.965 1.00 0.00 C ATOM 742 C ARG A 54 1.910 -7.940 3.133 1.00 0.00 C ATOM 743 O ARG A 54 1.909 -9.155 2.934 1.00 0.00 O ATOM 744 CB ARG A 54 0.500 -6.657 1.514 1.00 0.00 C ATOM 745 CG ARG A 54 -0.939 -6.583 1.028 1.00 0.00 C ATOM 746 CD ARG A 54 -1.114 -5.510 -0.036 1.00 0.00 C ATOM 747 NE ARG A 54 -0.317 -5.788 -1.228 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.580 -6.778 -2.073 1.00 0.00 C ATOM 749 NH1 ARG A 54 -1.613 -7.581 -1.858 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.190 -6.967 -3.137 1.00 0.00 N ATOM 0 H ARG A 54 1.097 -5.145 3.493 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.219 -7.750 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.960 -5.674 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.057 -7.339 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.238 -7.550 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.598 -6.373 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.166 -5.440 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.827 -4.542 0.375 1.00 0.00 H new ATOM 0 HE ARG A 54 0.485 -5.189 -1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.208 -7.439 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.813 -8.341 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.985 -6.351 -3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.013 -7.728 -3.785 1.00 0.00 H new ATOM 764 N ARG A 55 2.996 -7.267 3.499 1.00 0.00 N ATOM 765 CA ARG A 55 4.278 -7.932 3.692 1.00 0.00 C ATOM 766 C ARG A 55 4.280 -8.747 4.982 1.00 0.00 C ATOM 767 O ARG A 55 4.479 -9.961 4.959 1.00 0.00 O ATOM 768 CB ARG A 55 5.411 -6.904 3.724 1.00 0.00 C ATOM 769 CG ARG A 55 6.786 -7.505 3.484 1.00 0.00 C ATOM 770 CD ARG A 55 7.363 -8.103 4.758 1.00 0.00 C ATOM 771 NE ARG A 55 8.742 -8.547 4.578 1.00 0.00 N ATOM 772 CZ ARG A 55 9.087 -9.595 3.839 1.00 0.00 C ATOM 773 NH1 ARG A 55 8.157 -10.304 3.214 1.00 0.00 N ATOM 774 NH2 ARG A 55 10.364 -9.937 3.725 1.00 0.00 N ATOM 0 H ARG A 55 3.013 -6.261 3.668 1.00 0.00 H new ATOM 0 HA ARG A 55 4.436 -8.611 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.220 -6.142 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.407 -6.402 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.718 -8.276 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.459 -6.736 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.322 -7.363 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.749 -8.947 5.073 1.00 0.00 H new ATOM 0 HE ARG A 55 9.482 -8.023 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.174 -10.045 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.424 -11.109 2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.082 -9.395 4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.628 -10.742 3.157 1.00 0.00 H new ATOM 788 N GLU A 56 4.057 -8.069 6.104 1.00 0.00 N ATOM 789 CA GLU A 56 4.035 -8.731 7.403 1.00 0.00 C ATOM 790 C GLU A 56 2.613 -8.804 7.952 1.00 0.00 C ATOM 791 O GLU A 56 2.249 -9.758 8.638 1.00 0.00 O ATOM 792 CB GLU A 56 4.938 -7.992 8.392 1.00 0.00 C ATOM 793 CG GLU A 56 6.390 -8.436 8.341 1.00 0.00 C ATOM 794 CD GLU A 56 7.340 -7.390 8.889 1.00 0.00 C ATOM 795 OE1 GLU A 56 7.265 -7.096 10.100 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.160 -6.865 8.106 1.00 0.00 O ATOM 0 H GLU A 56 3.889 -7.063 6.139 1.00 0.00 H new ATOM 0 HA GLU A 56 4.408 -9.747 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.887 -6.922 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.556 -8.143 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.504 -9.359 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.661 -8.662 7.310 1.00 0.00 H new ATOM 803 N GLY A 57 1.813 -7.787 7.644 1.00 0.00 N ATOM 804 CA GLY A 57 0.441 -7.754 8.114 1.00 0.00 C ATOM 805 C GLY A 57 -0.352 -8.970 7.677 1.00 0.00 C ATOM 806 O GLY A 57 0.219 -10.023 7.391 1.00 0.00 O ATOM 0 H GLY A 57 2.091 -6.986 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.435 -7.692 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.046 -6.853 7.740 1.00 0.00 H new ATOM 810 N THR A 58 -1.672 -8.827 7.626 1.00 0.00 N ATOM 811 CA THR A 58 -2.545 -9.923 7.223 1.00 0.00 C ATOM 812 C THR A 58 -3.255 -9.607 5.912 1.00 0.00 C ATOM 813 O THR A 58 -4.217 -10.279 5.540 1.00 0.00 O ATOM 814 CB THR A 58 -3.599 -10.228 8.304 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.416 -9.075 8.531 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.933 -10.647 9.606 1.00 0.00 C ATOM 0 H THR A 58 -2.161 -7.963 7.859 1.00 0.00 H new ATOM 0 HA THR A 58 -1.910 -10.799 7.087 1.00 0.00 H new ATOM 0 HB THR A 58 -4.221 -11.050 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.084 -9.278 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.697 -10.857 10.354 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.335 -11.542 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.289 -9.842 9.961 1.00 0.00 H new ATOM 824 N GLN A 59 -2.774 -8.583 5.215 1.00 0.00 N ATOM 825 CA GLN A 59 -3.364 -8.179 3.945 1.00 0.00 C ATOM 826 C GLN A 59 -4.854 -7.892 4.103 1.00 0.00 C ATOM 827 O GLN A 59 -5.650 -8.182 3.211 1.00 0.00 O ATOM 828 CB GLN A 59 -3.151 -9.267 2.891 1.00 0.00 C ATOM 829 CG GLN A 59 -1.698 -9.685 2.733 1.00 0.00 C ATOM 830 CD GLN A 59 -1.551 -11.112 2.243 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.310 -11.567 1.386 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.572 -11.826 2.785 1.00 0.00 N ATOM 0 H GLN A 59 -1.977 -8.018 5.509 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.870 -7.264 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.745 -10.141 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.524 -8.909 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.204 -9.012 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.187 -9.579 3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.033 -11.408 3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.425 -12.793 2.494 1.00 0.00 H new ATOM 841 N ASN A 60 -5.223 -7.322 5.245 1.00 0.00 N ATOM 842 CA ASN A 60 -6.618 -6.997 5.521 1.00 0.00 C ATOM 843 C ASN A 60 -6.741 -5.610 6.143 1.00 0.00 C ATOM 844 O ASN A 60 -6.210 -5.352 7.224 1.00 0.00 O ATOM 845 CB ASN A 60 -7.232 -8.043 6.455 1.00 0.00 C ATOM 846 CG ASN A 60 -6.921 -9.461 6.018 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.853 -9.754 4.824 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.732 -10.350 6.986 1.00 0.00 N ATOM 0 H ASN A 60 -4.576 -7.076 5.994 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.160 -7.001 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.858 -7.887 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.313 -7.905 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.521 -11.320 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.798 -10.063 7.962 1.00 0.00 H new ATOM 855 N CYS A 61 -7.445 -4.718 5.453 1.00 0.00 N ATOM 856 CA CYS A 61 -7.638 -3.356 5.936 1.00 0.00 C ATOM 857 C CYS A 61 -8.008 -3.352 7.416 1.00 0.00 C ATOM 858 O CYS A 61 -8.950 -4.016 7.849 1.00 0.00 O ATOM 859 CB CYS A 61 -8.729 -2.655 5.124 1.00 0.00 C ATOM 860 SG CYS A 61 -9.040 -0.933 5.629 1.00 0.00 S ATOM 0 H CYS A 61 -7.891 -4.915 4.557 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.699 -2.816 5.813 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.449 -2.669 4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.655 -3.222 5.215 1.00 0.00 H new ATOM 865 N PRO A 62 -7.250 -2.584 8.213 1.00 0.00 N ATOM 866 CA PRO A 62 -7.479 -2.473 9.657 1.00 0.00 C ATOM 867 C PRO A 62 -8.761 -1.716 9.984 1.00 0.00 C ATOM 868 O PRO A 62 -9.071 -1.477 11.151 1.00 0.00 O ATOM 869 CB PRO A 62 -6.257 -1.694 10.151 1.00 0.00 C ATOM 870 CG PRO A 62 -5.801 -0.914 8.967 1.00 0.00 C ATOM 871 CD PRO A 62 -6.110 -1.765 7.766 1.00 0.00 C ATOM 0 HA PRO A 62 -7.598 -3.449 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.515 -1.038 10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.476 -2.366 10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.317 0.045 8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.734 -0.699 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.367 -1.157 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.258 -2.383 7.481 1.00 0.00 H new ATOM 879 N GLN A 63 -9.503 -1.342 8.946 1.00 0.00 N ATOM 880 CA GLN A 63 -10.752 -0.611 9.125 1.00 0.00 C ATOM 881 C GLN A 63 -11.936 -1.423 8.609 1.00 0.00 C ATOM 882 O GLN A 63 -12.983 -1.491 9.253 1.00 0.00 O ATOM 883 CB GLN A 63 -10.688 0.735 8.402 1.00 0.00 C ATOM 884 CG GLN A 63 -12.025 1.455 8.337 1.00 0.00 C ATOM 885 CD GLN A 63 -11.879 2.963 8.388 1.00 0.00 C ATOM 886 OE1 GLN A 63 -12.062 3.581 9.437 1.00 0.00 O ATOM 887 NE2 GLN A 63 -11.549 3.565 7.251 1.00 0.00 N ATOM 0 H GLN A 63 -9.261 -1.533 7.974 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.892 -0.436 10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.964 1.375 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.321 0.576 7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.540 1.175 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.651 1.126 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.407 3.014 6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.438 4.579 7.224 1.00 0.00 H new ATOM 896 N CYS A 64 -11.763 -2.037 7.443 1.00 0.00 N ATOM 897 CA CYS A 64 -12.816 -2.843 6.839 1.00 0.00 C ATOM 898 C CYS A 64 -12.368 -4.293 6.681 1.00 0.00 C ATOM 899 O CYS A 64 -13.187 -5.190 6.477 1.00 0.00 O ATOM 900 CB CYS A 64 -13.211 -2.268 5.478 1.00 0.00 C ATOM 901 SG CYS A 64 -11.895 -2.362 4.221 1.00 0.00 S ATOM 0 H CYS A 64 -10.902 -1.991 6.898 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.682 -2.819 7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.088 -2.801 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.502 -1.226 5.607 1.00 0.00 H new ATOM 906 N LYS A 65 -11.061 -4.516 6.775 1.00 0.00 N ATOM 907 CA LYS A 65 -10.502 -5.856 6.644 1.00 0.00 C ATOM 908 C LYS A 65 -11.029 -6.545 5.389 1.00 0.00 C ATOM 909 O LYS A 65 -11.492 -7.685 5.441 1.00 0.00 O ATOM 910 CB LYS A 65 -10.839 -6.695 7.879 1.00 0.00 C ATOM 911 CG LYS A 65 -10.446 -6.034 9.188 1.00 0.00 C ATOM 912 CD LYS A 65 -9.013 -6.364 9.571 1.00 0.00 C ATOM 913 CE LYS A 65 -8.731 -6.019 11.025 1.00 0.00 C ATOM 914 NZ LYS A 65 -7.270 -5.985 11.314 1.00 0.00 N ATOM 0 H LYS A 65 -10.369 -3.785 6.942 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.419 -5.764 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.910 -6.896 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.335 -7.658 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.560 -4.954 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.120 -6.362 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.826 -7.425 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.327 -5.815 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.170 -5.050 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.212 -6.752 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.113 -5.585 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.887 -6.951 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.789 -5.396 10.605 1.00 0.00 H new ATOM 928 N THR A 66 -10.954 -5.847 4.260 1.00 0.00 N ATOM 929 CA THR A 66 -11.423 -6.392 2.992 1.00 0.00 C ATOM 930 C THR A 66 -10.254 -6.772 2.091 1.00 0.00 C ATOM 931 O THR A 66 -9.195 -6.145 2.135 1.00 0.00 O ATOM 932 CB THR A 66 -12.324 -5.388 2.248 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.489 -5.102 3.030 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.739 -5.935 0.891 1.00 0.00 C ATOM 0 H THR A 66 -10.573 -4.903 4.198 1.00 0.00 H new ATOM 0 HA THR A 66 -12.003 -7.285 3.227 1.00 0.00 H new ATOM 0 HB THR A 66 -11.757 -4.470 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.336 -4.293 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.375 -5.208 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.851 -6.123 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.289 -6.866 1.027 1.00 0.00 H new ATOM 942 N ARG A 67 -10.452 -7.802 1.275 1.00 0.00 N ATOM 943 CA ARG A 67 -9.413 -8.266 0.364 1.00 0.00 C ATOM 944 C ARG A 67 -8.682 -7.087 -0.272 1.00 0.00 C ATOM 945 O ARG A 67 -9.307 -6.150 -0.769 1.00 0.00 O ATOM 946 CB ARG A 67 -10.019 -9.152 -0.726 1.00 0.00 C ATOM 947 CG ARG A 67 -11.172 -8.499 -1.471 1.00 0.00 C ATOM 948 CD ARG A 67 -11.423 -9.173 -2.811 1.00 0.00 C ATOM 949 NE ARG A 67 -10.337 -8.933 -3.757 1.00 0.00 N ATOM 950 CZ ARG A 67 -10.474 -9.035 -5.074 1.00 0.00 C ATOM 951 NH1 ARG A 67 -11.645 -9.371 -5.598 1.00 0.00 N ATOM 952 NH2 ARG A 67 -9.439 -8.800 -5.870 1.00 0.00 N ATOM 0 H ARG A 67 -11.323 -8.331 1.226 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.694 -8.850 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.240 -9.418 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.369 -10.081 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.075 -8.550 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.953 -7.443 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.542 -10.246 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.358 -8.805 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.423 -8.673 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.443 -9.552 -4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.748 -9.449 -6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.537 -8.541 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.545 -8.879 -6.881 1.00 0.00 H new ATOM 966 N TYR A 68 -7.355 -7.141 -0.253 1.00 0.00 N ATOM 967 CA TYR A 68 -6.538 -6.077 -0.825 1.00 0.00 C ATOM 968 C TYR A 68 -6.338 -6.289 -2.322 1.00 0.00 C ATOM 969 O TYR A 68 -6.887 -7.222 -2.909 1.00 0.00 O ATOM 970 CB TYR A 68 -5.181 -6.014 -0.122 1.00 0.00 C ATOM 971 CG TYR A 68 -5.155 -5.073 1.061 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.699 -3.797 0.971 1.00 0.00 C ATOM 973 CD2 TYR A 68 -4.587 -5.458 2.269 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.677 -2.933 2.049 1.00 0.00 C ATOM 975 CE2 TYR A 68 -4.562 -4.602 3.353 1.00 0.00 C ATOM 976 CZ TYR A 68 -5.108 -3.341 3.238 1.00 0.00 C ATOM 977 OH TYR A 68 -5.084 -2.484 4.315 1.00 0.00 O ATOM 0 H TYR A 68 -6.822 -7.910 0.152 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.061 -5.132 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.909 -7.014 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.423 -5.702 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.147 -3.475 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.157 -6.444 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.103 -1.944 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.117 -4.919 4.285 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.761 -1.786 4.193 1.00 0.00 H new ATOM 987 N LYS A 69 -5.548 -5.414 -2.936 1.00 0.00 N ATOM 988 CA LYS A 69 -5.272 -5.504 -4.365 1.00 0.00 C ATOM 989 C LYS A 69 -3.906 -4.911 -4.694 1.00 0.00 C ATOM 990 O LYS A 69 -3.556 -3.832 -4.216 1.00 0.00 O ATOM 991 CB LYS A 69 -6.359 -4.778 -5.162 1.00 0.00 C ATOM 992 CG LYS A 69 -6.134 -3.281 -5.275 1.00 0.00 C ATOM 993 CD LYS A 69 -6.391 -2.577 -3.953 1.00 0.00 C ATOM 994 CE LYS A 69 -7.855 -2.193 -3.801 1.00 0.00 C ATOM 995 NZ LYS A 69 -8.728 -3.389 -3.637 1.00 0.00 N ATOM 0 H LYS A 69 -5.088 -4.634 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.268 -6.558 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.410 -5.206 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.325 -4.957 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.111 -3.089 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.792 -2.870 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.097 -3.228 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.771 -1.683 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.971 -1.538 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.175 -1.627 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.580 -3.126 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.004 -3.748 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.210 -4.129 -3.121 1.00 0.00 H new ATOM 1009 N ARG A 70 -3.138 -5.623 -5.512 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.810 -5.167 -5.904 1.00 0.00 C ATOM 1011 C ARG A 70 -1.848 -3.711 -6.359 1.00 0.00 C ATOM 1012 O ARG A 70 -2.543 -3.366 -7.316 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.255 -6.048 -7.025 1.00 0.00 C ATOM 1014 CG ARG A 70 0.255 -6.217 -6.976 1.00 0.00 C ATOM 1015 CD ARG A 70 0.706 -7.427 -7.778 1.00 0.00 C ATOM 1016 NE ARG A 70 0.777 -7.140 -9.208 1.00 0.00 N ATOM 1017 CZ ARG A 70 1.513 -7.842 -10.063 1.00 0.00 C ATOM 1018 NH1 ARG A 70 2.237 -8.866 -9.634 1.00 0.00 N ATOM 1019 NH2 ARG A 70 1.525 -7.519 -11.350 1.00 0.00 N ATOM 0 H ARG A 70 -3.413 -6.518 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.156 -5.242 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.724 -7.030 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.533 -5.616 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.735 -5.320 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.577 -6.325 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.685 -7.752 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.015 -8.253 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 70 0.232 -6.358 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.230 -9.117 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.801 -9.403 -10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.969 -6.731 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.090 -8.058 -12.006 1.00 0.00 H new ATOM 1033 N LEU A 71 -1.097 -2.861 -5.668 1.00 0.00 N ATOM 1034 CA LEU A 71 -1.044 -1.442 -5.999 1.00 0.00 C ATOM 1035 C LEU A 71 0.275 -1.090 -6.679 1.00 0.00 C ATOM 1036 O LEU A 71 1.103 -1.963 -6.940 1.00 0.00 O ATOM 1037 CB LEU A 71 -1.223 -0.596 -4.738 1.00 0.00 C ATOM 1038 CG LEU A 71 -2.507 -0.837 -3.944 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.475 -0.069 -2.631 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.724 -0.441 -4.766 1.00 0.00 C ATOM 0 H LEU A 71 -0.516 -3.130 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.857 -1.226 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.373 -0.777 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.188 0.456 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.577 -1.901 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.397 -0.253 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.624 -0.401 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.381 0.998 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.629 -0.619 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.661 0.616 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.756 -1.036 -5.679 1.00 0.00 H new ATOM 1052 N ARG A 72 0.466 0.195 -6.961 1.00 0.00 N ATOM 1053 CA ARG A 72 1.686 0.662 -7.609 1.00 0.00 C ATOM 1054 C ARG A 72 2.921 0.107 -6.906 1.00 0.00 C ATOM 1055 O ARG A 72 3.747 -0.567 -7.521 1.00 0.00 O ATOM 1056 CB ARG A 72 1.732 2.191 -7.613 1.00 0.00 C ATOM 1057 CG ARG A 72 0.531 2.835 -8.286 1.00 0.00 C ATOM 1058 CD ARG A 72 0.506 2.544 -9.778 1.00 0.00 C ATOM 1059 NE ARG A 72 1.432 3.397 -10.518 1.00 0.00 N ATOM 1060 CZ ARG A 72 1.425 3.515 -11.841 1.00 0.00 C ATOM 1061 NH1 ARG A 72 0.545 2.839 -12.566 1.00 0.00 N ATOM 1062 NH2 ARG A 72 2.301 4.311 -12.442 1.00 0.00 N ATOM 0 H ARG A 72 -0.208 0.931 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 72 1.683 0.302 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.796 2.547 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.640 2.517 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.386 2.466 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.557 3.913 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.762 1.498 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.505 2.690 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 72 2.122 3.931 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.129 2.226 -12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.542 2.932 -13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.980 4.833 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.295 4.401 -13.458 1.00 0.00 H new ATOM 1076 N GLY A 73 3.042 0.397 -5.614 1.00 0.00 N ATOM 1077 CA GLY A 73 4.180 -0.080 -4.850 1.00 0.00 C ATOM 1078 C GLY A 73 3.960 -1.471 -4.290 1.00 0.00 C ATOM 1079 O GLY A 73 4.508 -2.447 -4.802 1.00 0.00 O ATOM 0 H GLY A 73 2.372 0.954 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.065 -0.084 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.379 0.611 -4.031 1.00 0.00 H new ATOM 1083 N SER A 74 3.156 -1.563 -3.235 1.00 0.00 N ATOM 1084 CA SER A 74 2.870 -2.845 -2.602 1.00 0.00 C ATOM 1085 C SER A 74 2.878 -3.972 -3.630 1.00 0.00 C ATOM 1086 O SER A 74 1.887 -4.232 -4.313 1.00 0.00 O ATOM 1087 CB SER A 74 1.515 -2.796 -1.893 1.00 0.00 C ATOM 1088 OG SER A 74 0.450 -2.938 -2.817 1.00 0.00 O ATOM 0 H SER A 74 2.692 -0.765 -2.801 1.00 0.00 H new ATOM 0 HA SER A 74 3.650 -3.042 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.462 -3.590 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.414 -1.851 -1.360 1.00 0.00 H new ATOM 0 HG SER A 74 0.505 -3.817 -3.247 1.00 0.00 H new ATOM 1094 N PRO A 75 4.024 -4.660 -3.743 1.00 0.00 N ATOM 1095 CA PRO A 75 4.191 -5.771 -4.684 1.00 0.00 C ATOM 1096 C PRO A 75 3.381 -6.999 -4.281 1.00 0.00 C ATOM 1097 O PRO A 75 2.762 -7.023 -3.217 1.00 0.00 O ATOM 1098 CB PRO A 75 5.690 -6.074 -4.614 1.00 0.00 C ATOM 1099 CG PRO A 75 6.110 -5.597 -3.267 1.00 0.00 C ATOM 1100 CD PRO A 75 5.246 -4.405 -2.961 1.00 0.00 C ATOM 0 HA PRO A 75 3.840 -5.514 -5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.885 -7.140 -4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.235 -5.559 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.977 -6.378 -2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.166 -5.326 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.032 -4.327 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.727 -3.473 -3.259 1.00 0.00 H new ATOM 1108 N ARG A 76 3.389 -8.015 -5.138 1.00 0.00 N ATOM 1109 CA ARG A 76 2.654 -9.245 -4.870 1.00 0.00 C ATOM 1110 C ARG A 76 3.153 -9.910 -3.591 1.00 0.00 C ATOM 1111 O ARG A 76 4.257 -9.629 -3.123 1.00 0.00 O ATOM 1112 CB ARG A 76 2.792 -10.213 -6.047 1.00 0.00 C ATOM 1113 CG ARG A 76 1.622 -11.174 -6.186 1.00 0.00 C ATOM 1114 CD ARG A 76 0.377 -10.466 -6.696 1.00 0.00 C ATOM 1115 NE ARG A 76 -0.806 -11.319 -6.624 1.00 0.00 N ATOM 1116 CZ ARG A 76 -2.049 -10.851 -6.594 1.00 0.00 C ATOM 1117 NH1 ARG A 76 -2.270 -9.545 -6.629 1.00 0.00 N ATOM 1118 NH2 ARG A 76 -3.074 -11.692 -6.528 1.00 0.00 N ATOM 0 H ARG A 76 3.896 -8.010 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 76 1.603 -8.989 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.891 -9.639 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.711 -10.787 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.890 -11.979 -6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.411 -11.634 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.208 -9.562 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.535 -10.152 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.671 -12.330 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.485 -8.896 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.225 -9.189 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.907 -12.698 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.028 -11.332 -6.505 1.00 0.00 H new ATOM 1132 N VAL A 77 2.332 -10.792 -3.029 1.00 0.00 N ATOM 1133 CA VAL A 77 2.690 -11.497 -1.804 1.00 0.00 C ATOM 1134 C VAL A 77 2.102 -12.903 -1.787 1.00 0.00 C ATOM 1135 O VAL A 77 1.382 -13.295 -2.705 1.00 0.00 O ATOM 1136 CB VAL A 77 2.206 -10.735 -0.556 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.083 -9.518 -0.299 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.748 -10.328 -0.713 1.00 0.00 C ATOM 0 H VAL A 77 1.415 -11.035 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 77 3.778 -11.561 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 77 2.284 -11.398 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.726 -8.992 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.113 -9.839 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.040 -8.850 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.422 -9.791 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.642 -9.683 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.134 -11.219 -0.844 1.00 0.00 H new ATOM 1148 N GLU A 78 2.413 -13.657 -0.737 1.00 0.00 N ATOM 1149 CA GLU A 78 1.915 -15.020 -0.602 1.00 0.00 C ATOM 1150 C GLU A 78 0.503 -15.142 -1.168 1.00 0.00 C ATOM 1151 O GLU A 78 -0.365 -14.318 -0.883 1.00 0.00 O ATOM 1152 CB GLU A 78 1.926 -15.448 0.867 1.00 0.00 C ATOM 1153 CG GLU A 78 0.818 -14.817 1.693 1.00 0.00 C ATOM 1154 CD GLU A 78 -0.520 -15.501 1.492 1.00 0.00 C ATOM 1155 OE1 GLU A 78 -0.549 -16.749 1.459 1.00 0.00 O ATOM 1156 OE2 GLU A 78 -1.539 -14.789 1.368 1.00 0.00 O ATOM 0 H GLU A 78 3.007 -13.347 0.032 1.00 0.00 H new ATOM 0 HA GLU A 78 2.574 -15.678 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.835 -16.533 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.889 -15.186 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.088 -14.858 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.727 -13.764 1.428 1.00 0.00 H new ATOM 1163 N GLY A 79 0.281 -16.178 -1.971 1.00 0.00 N ATOM 1164 CA GLY A 79 -1.026 -16.389 -2.565 1.00 0.00 C ATOM 1165 C GLY A 79 -0.965 -16.504 -4.076 1.00 0.00 C ATOM 1166 O GLY A 79 -1.745 -17.239 -4.681 1.00 0.00 O ATOM 0 H GLY A 79 0.983 -16.875 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.467 -17.296 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.683 -15.563 -2.293 1.00 0.00 H new ATOM 1170 N ASP A 80 -0.038 -15.774 -4.686 1.00 0.00 N ATOM 1171 CA ASP A 80 0.121 -15.797 -6.135 1.00 0.00 C ATOM 1172 C ASP A 80 0.640 -17.153 -6.604 1.00 0.00 C ATOM 1173 O ASP A 80 0.134 -17.720 -7.571 1.00 0.00 O ATOM 1174 CB ASP A 80 1.077 -14.689 -6.582 1.00 0.00 C ATOM 1175 CG ASP A 80 1.743 -14.999 -7.908 1.00 0.00 C ATOM 1176 OD1 ASP A 80 1.085 -14.832 -8.956 1.00 0.00 O ATOM 1177 OD2 ASP A 80 2.923 -15.408 -7.897 1.00 0.00 O ATOM 0 H ASP A 80 0.615 -15.159 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.857 -15.627 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.528 -13.751 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.842 -14.544 -5.820 1.00 0.00 H new ATOM 1182 N GLU A 81 1.653 -17.665 -5.911 1.00 0.00 N ATOM 1183 CA GLU A 81 2.241 -18.953 -6.259 1.00 0.00 C ATOM 1184 C GLU A 81 2.857 -19.619 -5.031 1.00 0.00 C ATOM 1185 O GLU A 81 3.553 -18.974 -4.247 1.00 0.00 O ATOM 1186 CB GLU A 81 3.303 -18.777 -7.345 1.00 0.00 C ATOM 1187 CG GLU A 81 4.124 -20.030 -7.602 1.00 0.00 C ATOM 1188 CD GLU A 81 3.452 -20.978 -8.577 1.00 0.00 C ATOM 1189 OE1 GLU A 81 2.221 -21.159 -8.475 1.00 0.00 O ATOM 1190 OE2 GLU A 81 4.158 -21.537 -9.442 1.00 0.00 O ATOM 0 H GLU A 81 2.083 -17.208 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 81 1.447 -19.596 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.816 -18.475 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.973 -17.966 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.101 -19.746 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.296 -20.547 -6.658 1.00 0.00 H new ATOM 1197 N ASP A 82 2.596 -20.911 -4.873 1.00 0.00 N ATOM 1198 CA ASP A 82 3.124 -21.665 -3.742 1.00 0.00 C ATOM 1199 C ASP A 82 4.647 -21.586 -3.700 1.00 0.00 C ATOM 1200 O ASP A 82 5.232 -21.241 -2.674 1.00 0.00 O ATOM 1201 CB ASP A 82 2.680 -23.126 -3.823 1.00 0.00 C ATOM 1202 CG ASP A 82 1.191 -23.292 -3.591 1.00 0.00 C ATOM 1203 OD1 ASP A 82 0.421 -22.411 -4.028 1.00 0.00 O ATOM 1204 OD2 ASP A 82 0.795 -24.302 -2.972 1.00 0.00 O ATOM 0 H ASP A 82 2.022 -21.459 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 82 2.729 -21.223 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.939 -23.528 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.227 -23.711 -3.084 1.00 0.00 H new ATOM 1209 N GLU A 83 5.283 -21.908 -4.823 1.00 0.00 N ATOM 1210 CA GLU A 83 6.738 -21.874 -4.913 1.00 0.00 C ATOM 1211 C GLU A 83 7.221 -20.515 -5.411 1.00 0.00 C ATOM 1212 O GLU A 83 7.367 -20.301 -6.614 1.00 0.00 O ATOM 1213 CB GLU A 83 7.239 -22.979 -5.845 1.00 0.00 C ATOM 1214 CG GLU A 83 8.747 -22.984 -6.028 1.00 0.00 C ATOM 1215 CD GLU A 83 9.462 -23.781 -4.954 1.00 0.00 C ATOM 1216 OE1 GLU A 83 8.816 -24.645 -4.326 1.00 0.00 O ATOM 1217 OE2 GLU A 83 10.669 -23.539 -4.742 1.00 0.00 O ATOM 0 H GLU A 83 4.814 -22.195 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 83 7.142 -22.040 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.926 -23.945 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.764 -22.864 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.989 -23.400 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.114 -21.958 -6.019 1.00 0.00 H new ATOM 1224 N GLU A 84 7.466 -19.602 -4.477 1.00 0.00 N ATOM 1225 CA GLU A 84 7.931 -18.263 -4.821 1.00 0.00 C ATOM 1226 C GLU A 84 9.416 -18.107 -4.510 1.00 0.00 C ATOM 1227 O GLU A 84 10.164 -17.509 -5.284 1.00 0.00 O ATOM 1228 CB GLU A 84 7.125 -17.208 -4.061 1.00 0.00 C ATOM 1229 CG GLU A 84 7.185 -15.826 -4.690 1.00 0.00 C ATOM 1230 CD GLU A 84 6.473 -14.776 -3.860 1.00 0.00 C ATOM 1231 OE1 GLU A 84 5.298 -14.999 -3.503 1.00 0.00 O ATOM 1232 OE2 GLU A 84 7.091 -13.731 -3.568 1.00 0.00 O ATOM 0 H GLU A 84 7.350 -19.765 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 84 7.785 -18.119 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.084 -17.528 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.495 -17.148 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.227 -15.535 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.738 -15.863 -5.683 1.00 0.00 H new ATOM 1239 N ASP A 85 9.836 -18.647 -3.371 1.00 0.00 N ATOM 1240 CA ASP A 85 11.232 -18.568 -2.956 1.00 0.00 C ATOM 1241 C ASP A 85 11.512 -19.531 -1.806 1.00 0.00 C ATOM 1242 O ASP A 85 10.593 -20.132 -1.249 1.00 0.00 O ATOM 1243 CB ASP A 85 11.582 -17.139 -2.539 1.00 0.00 C ATOM 1244 CG ASP A 85 13.075 -16.875 -2.574 1.00 0.00 C ATOM 1245 OD1 ASP A 85 13.609 -16.632 -3.676 1.00 0.00 O ATOM 1246 OD2 ASP A 85 13.709 -16.911 -1.499 1.00 0.00 O ATOM 0 H ASP A 85 9.230 -19.144 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 85 11.855 -18.853 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.076 -16.436 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.207 -16.955 -1.532 1.00 0.00 H new ATOM 1251 N ILE A 86 12.786 -19.672 -1.457 1.00 0.00 N ATOM 1252 CA ILE A 86 13.187 -20.562 -0.374 1.00 0.00 C ATOM 1253 C ILE A 86 13.381 -19.790 0.927 1.00 0.00 C ATOM 1254 O ILE A 86 14.215 -18.888 1.008 1.00 0.00 O ATOM 1255 CB ILE A 86 14.489 -21.310 -0.713 1.00 0.00 C ATOM 1256 CG1 ILE A 86 14.314 -22.130 -1.993 1.00 0.00 C ATOM 1257 CG2 ILE A 86 14.901 -22.207 0.445 1.00 0.00 C ATOM 1258 CD1 ILE A 86 15.622 -22.569 -2.613 1.00 0.00 C ATOM 0 H ILE A 86 13.558 -19.182 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 86 12.384 -21.288 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 86 15.279 -20.577 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.713 -23.012 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.757 -21.539 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 86 15.823 -22.729 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 86 15.062 -21.600 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 86 14.113 -22.935 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 86 15.421 -23.145 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 86 16.217 -21.692 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 86 16.172 -23.187 -1.903 1.00 0.00 H new ATOM 1270 N ASP A 87 12.607 -20.153 1.944 1.00 0.00 N ATOM 1271 CA ASP A 87 12.695 -19.497 3.244 1.00 0.00 C ATOM 1272 C ASP A 87 14.149 -19.360 3.686 1.00 0.00 C ATOM 1273 O ASP A 87 14.773 -20.333 4.109 1.00 0.00 O ATOM 1274 CB ASP A 87 11.903 -20.283 4.290 1.00 0.00 C ATOM 1275 CG ASP A 87 10.415 -19.999 4.223 1.00 0.00 C ATOM 1276 OD1 ASP A 87 9.873 -19.936 3.099 1.00 0.00 O ATOM 1277 OD2 ASP A 87 9.792 -19.838 5.294 1.00 0.00 O ATOM 0 H ASP A 87 11.912 -20.898 1.894 1.00 0.00 H new ATOM 0 HA ASP A 87 12.267 -18.499 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.073 -21.350 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.273 -20.034 5.285 1.00 0.00 H new ATOM 1282 N SER A 88 14.681 -18.147 3.583 1.00 0.00 N ATOM 1283 CA SER A 88 16.063 -17.884 3.968 1.00 0.00 C ATOM 1284 C SER A 88 16.235 -16.436 4.419 1.00 0.00 C ATOM 1285 O SER A 88 15.866 -15.504 3.706 1.00 0.00 O ATOM 1286 CB SER A 88 17.005 -18.181 2.800 1.00 0.00 C ATOM 1287 OG SER A 88 17.139 -19.577 2.595 1.00 0.00 O ATOM 0 H SER A 88 14.177 -17.331 3.236 1.00 0.00 H new ATOM 0 HA SER A 88 16.313 -18.539 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.624 -17.712 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.984 -17.744 2.998 1.00 0.00 H new ATOM 0 HG SER A 88 16.496 -20.054 3.160 1.00 0.00 H new ATOM 1293 N GLY A 89 16.799 -16.257 5.610 1.00 0.00 N ATOM 1294 CA GLY A 89 17.010 -14.922 6.137 1.00 0.00 C ATOM 1295 C GLY A 89 15.892 -14.479 7.061 1.00 0.00 C ATOM 1296 O GLY A 89 15.041 -13.668 6.696 1.00 0.00 O ATOM 0 H GLY A 89 17.113 -17.013 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.956 -14.894 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.094 -14.217 5.310 1.00 0.00 H new ATOM 1300 N PRO A 90 15.885 -15.021 8.288 1.00 0.00 N ATOM 1301 CA PRO A 90 14.868 -14.693 9.292 1.00 0.00 C ATOM 1302 C PRO A 90 15.008 -13.267 9.815 1.00 0.00 C ATOM 1303 O PRO A 90 15.991 -12.584 9.526 1.00 0.00 O ATOM 1304 CB PRO A 90 15.135 -15.702 10.411 1.00 0.00 C ATOM 1305 CG PRO A 90 16.574 -16.058 10.264 1.00 0.00 C ATOM 1306 CD PRO A 90 16.868 -15.995 8.791 1.00 0.00 C ATOM 0 HA PRO A 90 13.859 -14.747 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.932 -15.270 11.391 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.498 -16.581 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 90 17.206 -15.364 10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 90 16.772 -17.054 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 90 17.890 -15.670 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 90 16.749 -16.968 8.315 1.00 0.00 H new ATOM 1314 N SER A 91 14.020 -12.825 10.586 1.00 0.00 N ATOM 1315 CA SER A 91 14.033 -11.479 11.147 1.00 0.00 C ATOM 1316 C SER A 91 15.399 -11.150 11.740 1.00 0.00 C ATOM 1317 O SER A 91 15.950 -11.923 12.523 1.00 0.00 O ATOM 1318 CB SER A 91 12.951 -11.341 12.220 1.00 0.00 C ATOM 1319 OG SER A 91 13.090 -12.340 13.215 1.00 0.00 O ATOM 0 H SER A 91 13.201 -13.379 10.836 1.00 0.00 H new ATOM 0 HA SER A 91 13.828 -10.774 10.341 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.014 -10.354 12.679 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.966 -11.416 11.760 1.00 0.00 H new ATOM 0 HG SER A 91 14.036 -12.574 13.313 1.00 0.00 H new ATOM 1325 N SER A 92 15.940 -9.996 11.361 1.00 0.00 N ATOM 1326 CA SER A 92 17.244 -9.565 11.852 1.00 0.00 C ATOM 1327 C SER A 92 17.508 -8.108 11.486 1.00 0.00 C ATOM 1328 O SER A 92 16.985 -7.601 10.494 1.00 0.00 O ATOM 1329 CB SER A 92 18.348 -10.455 11.278 1.00 0.00 C ATOM 1330 OG SER A 92 18.262 -10.527 9.865 1.00 0.00 O ATOM 0 H SER A 92 15.495 -9.343 10.716 1.00 0.00 H new ATOM 0 HA SER A 92 17.243 -9.654 12.938 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.323 -10.062 11.567 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.270 -11.456 11.702 1.00 0.00 H new ATOM 0 HG SER A 92 17.572 -11.175 9.612 1.00 0.00 H new ATOM 1336 N GLY A 93 18.324 -7.439 12.295 1.00 0.00 N ATOM 1337 CA GLY A 93 18.643 -6.047 12.041 1.00 0.00 C ATOM 1338 C GLY A 93 19.001 -5.294 13.307 1.00 0.00 C ATOM 1339 O GLY A 93 18.713 -5.784 14.397 1.00 0.00 O ATOM 0 H GLY A 93 18.770 -7.837 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.476 -5.990 11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.791 -5.564 11.563 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.748 5.844 7.461 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.712 -0.314 4.063 1.00 0.00 ZN