USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 794 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+ -119:sc= 0.0774 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 12 ASN : amide:sc= -0.742! X(o=-0.74!,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 18 GLN : amide:sc= -8.02! K(o=-8!,f=-3.9) USER MOD Single : A 20 SER OG : rot -25:sc= 0.734! USER MOD Single : A 23 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.041) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 85:sc= 0.498 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -49:sc= -0.0861 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0462) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 17:sc= 0.017 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.435 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 70 GLN : amide:sc= -0.0425 K(o=-0.043,f=-2.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -142:sc= -0.505 (180deg=-2.38!) USER MOD Single : A 78 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0061) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 156:sc=-0.00948 (180deg=-0.273) USER MOD Single : A 96 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.013) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 13:sc= 0.0291 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.928 16.836 14.532 1.00 0.00 N ATOM 2 CA GLY A 1 -17.875 17.032 13.552 1.00 0.00 C ATOM 3 C GLY A 1 -16.504 16.683 14.096 1.00 0.00 C ATOM 4 O GLY A 1 -16.388 16.067 15.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.602 16.126 14.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.513 16.506 15.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.425 17.735 14.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.081 16.419 12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.878 18.071 13.223 1.00 0.00 H new ATOM 8 N SER A 2 -15.463 17.076 13.369 1.00 0.00 N ATOM 9 CA SER A 2 -14.093 16.795 13.782 1.00 0.00 C ATOM 10 C SER A 2 -13.169 17.953 13.420 1.00 0.00 C ATOM 11 O SER A 2 -12.262 18.299 14.177 1.00 0.00 O ATOM 12 CB SER A 2 -13.594 15.506 13.127 1.00 0.00 C ATOM 13 OG SER A 2 -12.636 14.857 13.943 1.00 0.00 O ATOM 0 H SER A 2 -15.542 17.590 12.491 1.00 0.00 H new ATOM 0 HA SER A 2 -14.085 16.670 14.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.435 14.837 12.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.154 15.734 12.156 1.00 0.00 H new ATOM 0 HG SER A 2 -12.334 14.035 13.503 1.00 0.00 H new ATOM 19 N SER A 3 -13.405 18.550 12.255 1.00 0.00 N ATOM 20 CA SER A 3 -12.592 19.667 11.789 1.00 0.00 C ATOM 21 C SER A 3 -11.106 19.355 11.934 1.00 0.00 C ATOM 22 O SER A 3 -10.491 19.667 12.952 1.00 0.00 O ATOM 23 CB SER A 3 -12.937 20.936 12.570 1.00 0.00 C ATOM 24 OG SER A 3 -14.168 21.486 12.133 1.00 0.00 O ATOM 0 H SER A 3 -14.153 18.278 11.617 1.00 0.00 H new ATOM 0 HA SER A 3 -12.810 19.828 10.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.995 20.707 13.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.142 21.671 12.445 1.00 0.00 H new ATOM 0 HG SER A 3 -14.366 22.295 12.649 1.00 0.00 H new ATOM 30 N GLY A 4 -10.536 18.734 10.905 1.00 0.00 N ATOM 31 CA GLY A 4 -9.126 18.389 10.936 1.00 0.00 C ATOM 32 C GLY A 4 -8.353 19.005 9.788 1.00 0.00 C ATOM 33 O GLY A 4 -8.652 18.750 8.622 1.00 0.00 O ATOM 0 H GLY A 4 -11.025 18.464 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.695 18.721 11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.020 17.305 10.901 1.00 0.00 H new ATOM 37 N SER A 5 -7.356 19.822 10.118 1.00 0.00 N ATOM 38 CA SER A 5 -6.542 20.481 9.104 1.00 0.00 C ATOM 39 C SER A 5 -5.329 21.157 9.738 1.00 0.00 C ATOM 40 O SER A 5 -5.459 21.919 10.695 1.00 0.00 O ATOM 41 CB SER A 5 -7.374 21.513 8.343 1.00 0.00 C ATOM 42 OG SER A 5 -6.589 22.189 7.376 1.00 0.00 O ATOM 0 H SER A 5 -7.094 20.042 11.079 1.00 0.00 H new ATOM 0 HA SER A 5 -6.191 19.722 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.213 21.019 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.794 22.234 9.044 1.00 0.00 H new ATOM 0 HG SER A 5 -7.145 22.842 6.902 1.00 0.00 H new ATOM 48 N SER A 6 -4.149 20.870 9.196 1.00 0.00 N ATOM 49 CA SER A 6 -2.912 21.446 9.709 1.00 0.00 C ATOM 50 C SER A 6 -1.745 21.149 8.772 1.00 0.00 C ATOM 51 O SER A 6 -1.903 20.463 7.763 1.00 0.00 O ATOM 52 CB SER A 6 -2.611 20.899 11.106 1.00 0.00 C ATOM 53 OG SER A 6 -2.587 21.941 12.066 1.00 0.00 O ATOM 0 H SER A 6 -4.024 20.242 8.402 1.00 0.00 H new ATOM 0 HA SER A 6 -3.041 22.527 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.366 20.163 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.650 20.384 11.099 1.00 0.00 H new ATOM 0 HG SER A 6 -2.394 21.566 12.951 1.00 0.00 H new ATOM 59 N GLY A 7 -0.571 21.672 9.114 1.00 0.00 N ATOM 60 CA GLY A 7 0.606 21.453 8.295 1.00 0.00 C ATOM 61 C GLY A 7 1.863 22.022 8.922 1.00 0.00 C ATOM 62 O GLY A 7 2.048 23.239 8.960 1.00 0.00 O ATOM 0 H GLY A 7 -0.415 22.244 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.737 20.383 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.454 21.908 7.316 1.00 0.00 H new ATOM 66 N ILE A 8 2.728 21.142 9.413 1.00 0.00 N ATOM 67 CA ILE A 8 3.973 21.565 10.041 1.00 0.00 C ATOM 68 C ILE A 8 5.175 21.213 9.171 1.00 0.00 C ATOM 69 O ILE A 8 5.672 20.087 9.205 1.00 0.00 O ATOM 70 CB ILE A 8 4.152 20.920 11.428 1.00 0.00 C ATOM 71 CG1 ILE A 8 3.192 19.739 11.594 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.926 21.950 12.525 1.00 0.00 C ATOM 73 CD1 ILE A 8 3.364 18.999 12.902 1.00 0.00 C ATOM 0 H ILE A 8 2.590 20.132 9.388 1.00 0.00 H new ATOM 0 HA ILE A 8 3.915 22.647 10.157 1.00 0.00 H new ATOM 0 HB ILE A 8 5.173 20.549 11.510 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.167 20.102 11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.341 19.042 10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.056 21.479 13.499 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.645 22.762 12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.914 22.349 12.447 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.651 18.176 12.951 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.378 18.605 12.967 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.186 19.682 13.733 1.00 0.00 H new ATOM 85 N LEU A 9 5.639 22.185 8.393 1.00 0.00 N ATOM 86 CA LEU A 9 6.785 21.979 7.513 1.00 0.00 C ATOM 87 C LEU A 9 7.407 23.312 7.110 1.00 0.00 C ATOM 88 O LEU A 9 6.851 24.377 7.378 1.00 0.00 O ATOM 89 CB LEU A 9 6.363 21.202 6.265 1.00 0.00 C ATOM 90 CG LEU A 9 5.881 19.769 6.498 1.00 0.00 C ATOM 91 CD1 LEU A 9 4.419 19.759 6.916 1.00 0.00 C ATOM 92 CD2 LEU A 9 6.086 18.927 5.247 1.00 0.00 C ATOM 0 H LEU A 9 5.240 23.123 8.353 1.00 0.00 H new ATOM 0 HA LEU A 9 7.531 21.400 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.566 21.756 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.208 21.173 5.577 1.00 0.00 H new ATOM 0 HG LEU A 9 6.471 19.334 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.094 18.731 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.301 20.326 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.813 20.212 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.738 17.911 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.522 19.360 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.146 18.907 4.992 1.00 0.00 H new ATOM 104 N THR A 10 8.566 23.246 6.461 1.00 0.00 N ATOM 105 CA THR A 10 9.264 24.446 6.018 1.00 0.00 C ATOM 106 C THR A 10 9.192 24.597 4.503 1.00 0.00 C ATOM 107 O THR A 10 8.516 25.487 3.990 1.00 0.00 O ATOM 108 CB THR A 10 10.742 24.429 6.452 1.00 0.00 C ATOM 109 OG1 THR A 10 11.265 23.100 6.354 1.00 0.00 O ATOM 110 CG2 THR A 10 10.893 24.935 7.878 1.00 0.00 C ATOM 0 H THR A 10 9.041 22.373 6.231 1.00 0.00 H new ATOM 0 HA THR A 10 8.765 25.293 6.488 1.00 0.00 H new ATOM 0 HB THR A 10 11.301 25.089 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.205 23.097 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.945 24.914 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.520 25.957 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.322 24.297 8.553 1.00 0.00 H new ATOM 118 N GLU A 11 9.894 23.719 3.792 1.00 0.00 N ATOM 119 CA GLU A 11 9.908 23.756 2.334 1.00 0.00 C ATOM 120 C GLU A 11 9.613 22.377 1.752 1.00 0.00 C ATOM 121 O GLU A 11 9.068 22.259 0.655 1.00 0.00 O ATOM 122 CB GLU A 11 11.264 24.254 1.828 1.00 0.00 C ATOM 123 CG GLU A 11 12.338 23.179 1.805 1.00 0.00 C ATOM 124 CD GLU A 11 13.676 23.701 1.318 1.00 0.00 C ATOM 125 OE1 GLU A 11 14.035 24.841 1.680 1.00 0.00 O ATOM 126 OE2 GLU A 11 14.363 22.969 0.576 1.00 0.00 O ATOM 0 H GLU A 11 10.459 22.975 4.201 1.00 0.00 H new ATOM 0 HA GLU A 11 9.129 24.445 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.142 24.655 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.599 25.076 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.456 22.767 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.015 22.362 1.160 1.00 0.00 H new ATOM 133 N ASN A 12 9.976 21.337 2.495 1.00 0.00 N ATOM 134 CA ASN A 12 9.750 19.966 2.053 1.00 0.00 C ATOM 135 C ASN A 12 10.280 18.969 3.079 1.00 0.00 C ATOM 136 O ASN A 12 10.687 17.860 2.732 1.00 0.00 O ATOM 137 CB ASN A 12 10.421 19.727 0.699 1.00 0.00 C ATOM 138 CG ASN A 12 9.418 19.448 -0.403 1.00 0.00 C ATOM 139 OD1 ASN A 12 9.670 18.639 -1.297 1.00 0.00 O ATOM 140 ND2 ASN A 12 8.273 20.116 -0.344 1.00 0.00 N ATOM 0 H ASN A 12 10.428 21.417 3.406 1.00 0.00 H new ATOM 0 HA ASN A 12 8.675 19.817 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.016 20.601 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.109 18.886 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.559 19.969 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.107 20.777 0.415 1.00 0.00 H new ATOM 147 N THR A 13 10.272 19.371 4.346 1.00 0.00 N ATOM 148 CA THR A 13 10.751 18.515 5.423 1.00 0.00 C ATOM 149 C THR A 13 10.289 17.075 5.229 1.00 0.00 C ATOM 150 O THR A 13 9.166 16.812 4.795 1.00 0.00 O ATOM 151 CB THR A 13 10.269 19.016 6.797 1.00 0.00 C ATOM 152 OG1 THR A 13 11.204 18.638 7.813 1.00 0.00 O ATOM 153 CG2 THR A 13 8.896 18.450 7.128 1.00 0.00 C ATOM 0 H THR A 13 9.938 20.285 4.651 1.00 0.00 H new ATOM 0 HA THR A 13 11.840 18.551 5.393 1.00 0.00 H new ATOM 0 HB THR A 13 10.197 20.103 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.890 18.962 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.576 18.818 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.180 18.765 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.947 17.361 7.150 1.00 0.00 H new ATOM 161 N PRO A 14 11.170 16.120 5.557 1.00 0.00 N ATOM 162 CA PRO A 14 10.874 14.691 5.428 1.00 0.00 C ATOM 163 C PRO A 14 9.838 14.219 6.443 1.00 0.00 C ATOM 164 O PRO A 14 9.536 14.921 7.409 1.00 0.00 O ATOM 165 CB PRO A 14 12.225 14.022 5.694 1.00 0.00 C ATOM 166 CG PRO A 14 12.972 14.999 6.534 1.00 0.00 C ATOM 167 CD PRO A 14 12.526 16.362 6.080 1.00 0.00 C ATOM 0 HA PRO A 14 10.448 14.450 4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.101 13.070 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.754 13.814 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.756 14.850 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.048 14.879 6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.518 17.077 6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.186 16.766 5.313 1.00 0.00 H new ATOM 175 N VAL A 15 9.295 13.026 6.219 1.00 0.00 N ATOM 176 CA VAL A 15 8.294 12.461 7.115 1.00 0.00 C ATOM 177 C VAL A 15 8.418 10.943 7.190 1.00 0.00 C ATOM 178 O VAL A 15 8.929 10.305 6.269 1.00 0.00 O ATOM 179 CB VAL A 15 6.868 12.827 6.665 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.945 12.959 7.867 1.00 0.00 C ATOM 181 CG2 VAL A 15 6.880 14.110 5.847 1.00 0.00 C ATOM 0 H VAL A 15 9.532 12.432 5.424 1.00 0.00 H new ATOM 0 HA VAL A 15 8.476 12.887 8.102 1.00 0.00 H new ATOM 0 HB VAL A 15 6.488 12.024 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.942 13.218 7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.913 12.013 8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.318 13.741 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.864 14.354 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.280 14.924 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.505 13.973 4.965 1.00 0.00 H new ATOM 191 N PHE A 16 7.947 10.371 8.293 1.00 0.00 N ATOM 192 CA PHE A 16 8.005 8.927 8.490 1.00 0.00 C ATOM 193 C PHE A 16 6.669 8.393 8.998 1.00 0.00 C ATOM 194 O PHE A 16 6.221 8.750 10.087 1.00 0.00 O ATOM 195 CB PHE A 16 9.119 8.569 9.475 1.00 0.00 C ATOM 196 CG PHE A 16 9.968 7.415 9.028 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.423 6.390 8.270 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.310 7.353 9.365 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.202 5.325 7.856 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.094 6.291 8.953 1.00 0.00 C ATOM 201 CZ PHE A 16 11.539 5.275 8.199 1.00 0.00 C ATOM 0 H PHE A 16 7.521 10.885 9.064 1.00 0.00 H new ATOM 0 HA PHE A 16 8.219 8.463 7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.755 9.441 9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.675 8.330 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.378 6.424 8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.749 8.143 9.956 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.765 4.533 7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.140 6.256 9.221 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.149 4.444 7.879 1.00 0.00 H new ATOM 211 N GLU A 17 6.039 7.536 8.201 1.00 0.00 N ATOM 212 CA GLU A 17 4.754 6.954 8.570 1.00 0.00 C ATOM 213 C GLU A 17 4.759 5.443 8.356 1.00 0.00 C ATOM 214 O GLU A 17 5.550 4.921 7.572 1.00 0.00 O ATOM 215 CB GLU A 17 3.627 7.592 7.756 1.00 0.00 C ATOM 216 CG GLU A 17 2.296 7.635 8.487 1.00 0.00 C ATOM 217 CD GLU A 17 1.816 9.050 8.745 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.062 9.925 7.888 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.198 9.284 9.804 1.00 0.00 O ATOM 0 H GLU A 17 6.397 7.230 7.296 1.00 0.00 H new ATOM 0 HA GLU A 17 4.585 7.153 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.916 8.608 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.503 7.037 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.547 7.103 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.391 7.109 9.437 1.00 0.00 H new ATOM 226 N GLN A 18 3.871 4.748 9.058 1.00 0.00 N ATOM 227 CA GLN A 18 3.773 3.297 8.945 1.00 0.00 C ATOM 228 C GLN A 18 2.328 2.865 8.719 1.00 0.00 C ATOM 229 O GLN A 18 1.406 3.391 9.343 1.00 0.00 O ATOM 230 CB GLN A 18 4.327 2.629 10.205 1.00 0.00 C ATOM 231 CG GLN A 18 5.751 2.120 10.047 1.00 0.00 C ATOM 232 CD GLN A 18 6.033 0.902 10.903 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.066 0.985 12.131 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.239 -0.241 10.259 1.00 0.00 N ATOM 0 H GLN A 18 3.209 5.166 9.711 1.00 0.00 H new ATOM 0 HA GLN A 18 4.365 2.983 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.294 3.342 11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.680 1.795 10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.931 1.874 9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.448 2.915 10.312 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.203 -0.266 9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.434 -1.094 10.783 1.00 0.00 H new ATOM 243 N LEU A 19 2.138 1.904 7.821 1.00 0.00 N ATOM 244 CA LEU A 19 0.805 1.400 7.511 1.00 0.00 C ATOM 245 C LEU A 19 0.740 -0.114 7.690 1.00 0.00 C ATOM 246 O LEU A 19 1.419 -0.862 6.987 1.00 0.00 O ATOM 247 CB LEU A 19 0.417 1.772 6.080 1.00 0.00 C ATOM 248 CG LEU A 19 -0.743 2.758 5.934 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.385 4.099 6.556 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.114 2.932 4.468 1.00 0.00 C ATOM 0 H LEU A 19 2.890 1.459 7.295 1.00 0.00 H new ATOM 0 HA LEU A 19 0.100 1.860 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.292 2.195 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.160 0.858 5.545 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.607 2.354 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.222 4.788 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.168 3.962 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.493 4.509 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.941 3.637 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.254 3.314 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.413 1.970 4.052 1.00 0.00 H new ATOM 262 N SER A 20 -0.084 -0.558 8.633 1.00 0.00 N ATOM 263 CA SER A 20 -0.237 -1.983 8.905 1.00 0.00 C ATOM 264 C SER A 20 -1.216 -2.621 7.925 1.00 0.00 C ATOM 265 O SER A 20 -2.384 -2.236 7.856 1.00 0.00 O ATOM 266 CB SER A 20 -0.720 -2.201 10.341 1.00 0.00 C ATOM 267 OG SER A 20 -2.102 -2.513 10.372 1.00 0.00 O ATOM 0 H SER A 20 -0.656 0.048 9.222 1.00 0.00 H new ATOM 0 HA SER A 20 0.736 -2.458 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.151 -3.009 10.801 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.533 -1.304 10.931 1.00 0.00 H new ATOM 0 HG SER A 20 -2.539 -2.144 9.576 1.00 0.00 H new ATOM 273 N VAL A 21 -0.732 -3.601 7.169 1.00 0.00 N ATOM 274 CA VAL A 21 -1.564 -4.295 6.192 1.00 0.00 C ATOM 275 C VAL A 21 -1.545 -5.801 6.426 1.00 0.00 C ATOM 276 O VAL A 21 -0.546 -6.375 6.859 1.00 0.00 O ATOM 277 CB VAL A 21 -1.100 -4.004 4.752 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.869 -2.514 4.556 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.158 -4.795 4.429 1.00 0.00 C ATOM 0 H VAL A 21 0.232 -3.933 7.214 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.581 -3.923 6.320 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.885 -4.318 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.542 -2.328 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.797 -1.974 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.102 -2.170 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.472 -4.578 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.952 -4.514 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.047 -5.861 4.526 1.00 0.00 H new ATOM 289 N PRO A 22 -2.676 -6.459 6.133 1.00 0.00 N ATOM 290 CA PRO A 22 -2.815 -7.909 6.302 1.00 0.00 C ATOM 291 C PRO A 22 -1.982 -8.693 5.295 1.00 0.00 C ATOM 292 O PRO A 22 -1.879 -8.310 4.130 1.00 0.00 O ATOM 293 CB PRO A 22 -4.308 -8.153 6.067 1.00 0.00 C ATOM 294 CG PRO A 22 -4.745 -7.020 5.203 1.00 0.00 C ATOM 295 CD PRO A 22 -3.907 -5.840 5.613 1.00 0.00 C ATOM 0 HA PRO A 22 -2.464 -8.240 7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.481 -9.112 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.859 -8.170 7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.599 -7.255 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.806 -6.812 5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.700 -5.182 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.406 -5.238 6.372 1.00 0.00 H new ATOM 303 N GLN A 23 -1.390 -9.792 5.751 1.00 0.00 N ATOM 304 CA GLN A 23 -0.565 -10.630 4.887 1.00 0.00 C ATOM 305 C GLN A 23 -1.378 -11.168 3.714 1.00 0.00 C ATOM 306 O GLN A 23 -0.826 -11.743 2.776 1.00 0.00 O ATOM 307 CB GLN A 23 0.030 -11.790 5.685 1.00 0.00 C ATOM 308 CG GLN A 23 -0.977 -12.880 6.020 1.00 0.00 C ATOM 309 CD GLN A 23 -0.459 -14.269 5.702 1.00 0.00 C ATOM 310 OE1 GLN A 23 -0.675 -14.789 4.607 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.226 -14.879 6.662 1.00 0.00 N ATOM 0 H GLN A 23 -1.466 -10.123 6.713 1.00 0.00 H new ATOM 0 HA GLN A 23 0.245 -10.016 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.851 -12.228 5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.455 -11.403 6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.229 -12.824 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.897 -12.703 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.381 -14.410 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.597 -15.816 6.507 1.00 0.00 H new ATOM 320 N ARG A 24 -2.692 -10.978 3.774 1.00 0.00 N ATOM 321 CA ARG A 24 -3.581 -11.446 2.717 1.00 0.00 C ATOM 322 C ARG A 24 -3.673 -10.421 1.592 1.00 0.00 C ATOM 323 O ARG A 24 -3.870 -10.776 0.430 1.00 0.00 O ATOM 324 CB ARG A 24 -4.975 -11.728 3.281 1.00 0.00 C ATOM 325 CG ARG A 24 -5.834 -10.483 3.431 1.00 0.00 C ATOM 326 CD ARG A 24 -6.870 -10.650 4.531 1.00 0.00 C ATOM 327 NE ARG A 24 -7.978 -9.709 4.387 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.833 -9.426 5.364 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.708 -10.007 6.549 1.00 0.00 N ATOM 330 NH2 ARG A 24 -9.815 -8.559 5.156 1.00 0.00 N ATOM 0 H ARG A 24 -3.165 -10.503 4.543 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.168 -12.369 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.486 -12.435 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.874 -12.209 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.199 -9.626 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.335 -10.270 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.256 -11.669 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.395 -10.505 5.501 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.102 -9.244 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.954 -10.674 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.366 -9.787 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.914 -8.109 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.471 -8.342 5.906 1.00 0.00 H new ATOM 344 N SER A 25 -3.531 -9.148 1.944 1.00 0.00 N ATOM 345 CA SER A 25 -3.603 -8.070 0.965 1.00 0.00 C ATOM 346 C SER A 25 -2.207 -7.583 0.589 1.00 0.00 C ATOM 347 O SER A 25 -1.997 -7.040 -0.496 1.00 0.00 O ATOM 348 CB SER A 25 -4.431 -6.906 1.514 1.00 0.00 C ATOM 349 OG SER A 25 -5.749 -7.321 1.827 1.00 0.00 O ATOM 0 H SER A 25 -3.365 -8.837 2.901 1.00 0.00 H new ATOM 0 HA SER A 25 -4.087 -8.459 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.952 -6.504 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.464 -6.101 0.780 1.00 0.00 H new ATOM 0 HG SER A 25 -6.257 -6.560 2.177 1.00 0.00 H new ATOM 355 N VAL A 26 -1.254 -7.781 1.495 1.00 0.00 N ATOM 356 CA VAL A 26 0.123 -7.364 1.259 1.00 0.00 C ATOM 357 C VAL A 26 0.680 -7.998 -0.011 1.00 0.00 C ATOM 358 O VAL A 26 1.636 -7.495 -0.600 1.00 0.00 O ATOM 359 CB VAL A 26 1.032 -7.735 2.446 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.386 -9.214 2.405 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.289 -6.877 2.443 1.00 0.00 C ATOM 0 H VAL A 26 -1.411 -8.227 2.399 1.00 0.00 H new ATOM 0 HA VAL A 26 0.110 -6.280 1.145 1.00 0.00 H new ATOM 0 HB VAL A 26 0.490 -7.541 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.029 -9.458 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.474 -9.808 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.910 -9.437 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.920 -7.153 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.837 -7.037 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.012 -5.826 2.524 1.00 0.00 H new ATOM 371 N GLY A 27 0.074 -9.105 -0.428 1.00 0.00 N ATOM 372 CA GLY A 27 0.524 -9.790 -1.626 1.00 0.00 C ATOM 373 C GLY A 27 0.104 -9.072 -2.894 1.00 0.00 C ATOM 374 O GLY A 27 0.637 -9.342 -3.972 1.00 0.00 O ATOM 0 H GLY A 27 -0.720 -9.540 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.610 -9.878 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.122 -10.803 -1.635 1.00 0.00 H new ATOM 378 N ARG A 28 -0.851 -8.158 -2.768 1.00 0.00 N ATOM 379 CA ARG A 28 -1.342 -7.403 -3.913 1.00 0.00 C ATOM 380 C ARG A 28 -0.698 -6.021 -3.970 1.00 0.00 C ATOM 381 O ARG A 28 -0.647 -5.392 -5.027 1.00 0.00 O ATOM 382 CB ARG A 28 -2.865 -7.265 -3.845 1.00 0.00 C ATOM 383 CG ARG A 28 -3.490 -6.768 -5.138 1.00 0.00 C ATOM 384 CD ARG A 28 -4.106 -7.908 -5.934 1.00 0.00 C ATOM 385 NE ARG A 28 -3.522 -8.025 -7.268 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.738 -7.149 -8.243 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.522 -6.100 -8.035 1.00 0.00 N ATOM 388 NH2 ARG A 28 -3.172 -7.323 -9.430 1.00 0.00 N ATOM 0 H ARG A 28 -1.301 -7.922 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.073 -7.948 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.298 -8.232 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.123 -6.578 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.256 -6.026 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.732 -6.270 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.965 -8.844 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.181 -7.749 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.916 -8.822 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.961 -5.964 -7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.686 -5.429 -8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.570 -8.130 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.338 -6.650 -10.178 1.00 0.00 H new ATOM 402 N ILE A 29 -0.207 -5.556 -2.827 1.00 0.00 N ATOM 403 CA ILE A 29 0.435 -4.249 -2.748 1.00 0.00 C ATOM 404 C ILE A 29 1.892 -4.324 -3.192 1.00 0.00 C ATOM 405 O ILE A 29 2.328 -3.557 -4.050 1.00 0.00 O ATOM 406 CB ILE A 29 0.375 -3.679 -1.318 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.040 -3.810 -0.751 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.822 -2.225 -1.309 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.078 -3.941 0.756 1.00 0.00 C ATOM 0 H ILE A 29 -0.241 -6.064 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.113 -3.587 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 29 1.053 -4.252 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.623 -2.938 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.522 -4.681 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.774 -1.836 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.846 -2.157 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.166 -1.639 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.113 -4.030 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.523 -4.829 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.626 -3.059 1.209 1.00 0.00 H new ATOM 421 N ILE A 30 2.637 -5.253 -2.604 1.00 0.00 N ATOM 422 CA ILE A 30 4.044 -5.430 -2.943 1.00 0.00 C ATOM 423 C ILE A 30 4.201 -6.068 -4.319 1.00 0.00 C ATOM 424 O ILE A 30 5.180 -5.818 -5.022 1.00 0.00 O ATOM 425 CB ILE A 30 4.768 -6.301 -1.899 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.949 -5.526 -0.593 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.113 -6.763 -2.438 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.238 -4.737 -0.531 1.00 0.00 C ATOM 0 H ILE A 30 2.291 -5.895 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 30 4.495 -4.438 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 30 4.158 -7.181 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.109 -4.844 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.921 -6.226 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.613 -7.377 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.960 -7.348 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.731 -5.895 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.298 -4.213 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.085 -5.416 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.261 -4.012 -1.345 1.00 0.00 H new ATOM 440 N GLY A 31 3.230 -6.893 -4.699 1.00 0.00 N ATOM 441 CA GLY A 31 3.279 -7.553 -5.990 1.00 0.00 C ATOM 442 C GLY A 31 3.781 -8.980 -5.893 1.00 0.00 C ATOM 443 O GLY A 31 3.884 -9.536 -4.800 1.00 0.00 O ATOM 0 H GLY A 31 2.410 -7.116 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.283 -7.551 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.928 -6.988 -6.659 1.00 0.00 H new ATOM 447 N ARG A 32 4.091 -9.575 -7.040 1.00 0.00 N ATOM 448 CA ARG A 32 4.582 -10.948 -7.081 1.00 0.00 C ATOM 449 C ARG A 32 5.958 -11.052 -6.430 1.00 0.00 C ATOM 450 O ARG A 32 6.271 -12.044 -5.773 1.00 0.00 O ATOM 451 CB ARG A 32 4.650 -11.445 -8.525 1.00 0.00 C ATOM 452 CG ARG A 32 5.313 -10.463 -9.477 1.00 0.00 C ATOM 453 CD ARG A 32 6.312 -11.160 -10.389 1.00 0.00 C ATOM 454 NE ARG A 32 6.929 -10.233 -11.334 1.00 0.00 N ATOM 455 CZ ARG A 32 7.866 -10.588 -12.207 1.00 0.00 C ATOM 456 NH1 ARG A 32 8.290 -11.843 -12.254 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.378 -9.687 -13.035 1.00 0.00 N ATOM 0 H ARG A 32 4.011 -9.128 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 32 3.886 -11.573 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.197 -12.388 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.639 -11.653 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.552 -9.968 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.821 -9.686 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.087 -11.631 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.808 -11.956 -10.938 1.00 0.00 H new ATOM 0 HE ARG A 32 6.624 -9.260 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.897 -12.538 -11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.009 -12.114 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.053 -8.721 -13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.097 -9.960 -13.705 1.00 0.00 H new ATOM 471 N GLY A 33 6.776 -10.022 -6.618 1.00 0.00 N ATOM 472 CA GLY A 33 8.109 -10.017 -6.044 1.00 0.00 C ATOM 473 C GLY A 33 8.665 -8.618 -5.878 1.00 0.00 C ATOM 474 O GLY A 33 9.880 -8.428 -5.822 1.00 0.00 O ATOM 0 H GLY A 33 6.539 -9.190 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.085 -10.512 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.777 -10.597 -6.681 1.00 0.00 H new ATOM 478 N GLY A 34 7.775 -7.633 -5.804 1.00 0.00 N ATOM 479 CA GLY A 34 8.203 -6.256 -5.647 1.00 0.00 C ATOM 480 C GLY A 34 7.886 -5.408 -6.863 1.00 0.00 C ATOM 481 O GLY A 34 7.851 -4.181 -6.780 1.00 0.00 O ATOM 0 H GLY A 34 6.765 -7.765 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.718 -5.826 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.277 -6.231 -5.461 1.00 0.00 H new ATOM 485 N GLU A 35 7.654 -6.064 -7.995 1.00 0.00 N ATOM 486 CA GLU A 35 7.340 -5.361 -9.234 1.00 0.00 C ATOM 487 C GLU A 35 6.282 -4.286 -8.997 1.00 0.00 C ATOM 488 O GLU A 35 6.188 -3.315 -9.748 1.00 0.00 O ATOM 489 CB GLU A 35 6.851 -6.348 -10.297 1.00 0.00 C ATOM 490 CG GLU A 35 5.444 -6.865 -10.045 1.00 0.00 C ATOM 491 CD GLU A 35 4.397 -6.122 -10.853 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.561 -4.901 -11.056 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.413 -6.762 -11.280 1.00 0.00 O ATOM 0 H GLU A 35 7.677 -7.080 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 35 8.251 -4.878 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.882 -5.863 -11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.538 -7.193 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.401 -7.926 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.212 -6.773 -8.984 1.00 0.00 H new ATOM 500 N THR A 36 5.488 -4.468 -7.946 1.00 0.00 N ATOM 501 CA THR A 36 4.437 -3.517 -7.611 1.00 0.00 C ATOM 502 C THR A 36 4.931 -2.483 -6.604 1.00 0.00 C ATOM 503 O THR A 36 4.667 -1.289 -6.747 1.00 0.00 O ATOM 504 CB THR A 36 3.199 -4.228 -7.032 1.00 0.00 C ATOM 505 OG1 THR A 36 2.725 -5.215 -7.955 1.00 0.00 O ATOM 506 CG2 THR A 36 2.090 -3.230 -6.734 1.00 0.00 C ATOM 0 H THR A 36 5.554 -5.265 -7.313 1.00 0.00 H new ATOM 0 HA THR A 36 4.159 -3.015 -8.538 1.00 0.00 H new ATOM 0 HB THR A 36 3.489 -4.712 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.939 -5.664 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.227 -3.756 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.445 -2.498 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.803 -2.720 -7.653 1.00 0.00 H new ATOM 514 N ILE A 37 5.648 -2.950 -5.588 1.00 0.00 N ATOM 515 CA ILE A 37 6.182 -2.065 -4.560 1.00 0.00 C ATOM 516 C ILE A 37 7.190 -1.084 -5.147 1.00 0.00 C ATOM 517 O ILE A 37 7.423 -0.011 -4.592 1.00 0.00 O ATOM 518 CB ILE A 37 6.856 -2.861 -3.427 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.751 -2.097 -2.105 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.312 -3.138 -3.769 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.327 -1.776 -1.704 1.00 0.00 C ATOM 0 H ILE A 37 5.873 -3.936 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 37 5.337 -1.511 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 37 6.340 -3.815 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.218 -2.686 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.315 -1.168 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.775 -3.701 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.365 -3.717 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.840 -2.194 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.329 -1.234 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.862 -1.160 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.763 -2.702 -1.591 1.00 0.00 H new ATOM 533 N ARG A 38 7.784 -1.458 -6.275 1.00 0.00 N ATOM 534 CA ARG A 38 8.767 -0.612 -6.940 1.00 0.00 C ATOM 535 C ARG A 38 8.082 0.436 -7.812 1.00 0.00 C ATOM 536 O ARG A 38 8.583 1.549 -7.972 1.00 0.00 O ATOM 537 CB ARG A 38 9.711 -1.461 -7.792 1.00 0.00 C ATOM 538 CG ARG A 38 10.479 -2.503 -6.995 1.00 0.00 C ATOM 539 CD ARG A 38 11.835 -2.794 -7.620 1.00 0.00 C ATOM 540 NE ARG A 38 12.898 -2.855 -6.620 1.00 0.00 N ATOM 541 CZ ARG A 38 14.167 -3.118 -6.912 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.529 -3.344 -8.166 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.076 -3.156 -5.946 1.00 0.00 N ATOM 0 H ARG A 38 7.601 -2.343 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 38 9.345 -0.099 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.134 -1.963 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.421 -0.805 -8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.616 -2.152 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.897 -3.423 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.790 -3.740 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.070 -2.021 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 38 12.653 -2.686 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.833 -3.316 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.504 -3.546 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.800 -2.983 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.050 -3.358 -6.170 1.00 0.00 H new ATOM 557 N SER A 39 6.933 0.072 -8.373 1.00 0.00 N ATOM 558 CA SER A 39 6.181 0.978 -9.232 1.00 0.00 C ATOM 559 C SER A 39 5.506 2.072 -8.410 1.00 0.00 C ATOM 560 O SER A 39 5.262 3.173 -8.904 1.00 0.00 O ATOM 561 CB SER A 39 5.131 0.205 -10.032 1.00 0.00 C ATOM 562 OG SER A 39 5.380 0.296 -11.424 1.00 0.00 O ATOM 0 H SER A 39 6.503 -0.844 -8.248 1.00 0.00 H new ATOM 0 HA SER A 39 6.881 1.446 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.135 -0.841 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.139 0.598 -9.811 1.00 0.00 H new ATOM 0 HG SER A 39 4.696 -0.208 -11.912 1.00 0.00 H new ATOM 568 N ILE A 40 5.209 1.760 -7.153 1.00 0.00 N ATOM 569 CA ILE A 40 4.563 2.715 -6.261 1.00 0.00 C ATOM 570 C ILE A 40 5.539 3.801 -5.820 1.00 0.00 C ATOM 571 O ILE A 40 5.261 4.992 -5.958 1.00 0.00 O ATOM 572 CB ILE A 40 3.987 2.021 -5.014 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.977 0.947 -5.423 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.338 3.041 -4.091 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.699 -0.067 -4.335 1.00 0.00 C ATOM 0 H ILE A 40 5.405 0.853 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 40 3.747 3.169 -6.823 1.00 0.00 H new ATOM 0 HB ILE A 40 4.803 1.540 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.041 1.429 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.349 0.428 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.936 2.534 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.082 3.773 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.531 3.548 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.975 -0.798 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.625 -0.576 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.297 0.441 -3.458 1.00 0.00 H new ATOM 587 N CYS A 41 6.683 3.381 -5.292 1.00 0.00 N ATOM 588 CA CYS A 41 7.701 4.317 -4.830 1.00 0.00 C ATOM 589 C CYS A 41 8.021 5.348 -5.909 1.00 0.00 C ATOM 590 O CYS A 41 8.314 6.505 -5.609 1.00 0.00 O ATOM 591 CB CYS A 41 8.973 3.566 -4.434 1.00 0.00 C ATOM 592 SG CYS A 41 8.694 2.197 -3.287 1.00 0.00 S ATOM 0 H CYS A 41 6.929 2.398 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 41 7.309 4.839 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.450 3.180 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.671 4.269 -3.981 1.00 0.00 H new ATOM 0 HG CYS A 41 8.375 1.129 -3.956 1.00 0.00 H new ATOM 598 N LYS A 42 7.963 4.920 -7.165 1.00 0.00 N ATOM 599 CA LYS A 42 8.245 5.804 -8.289 1.00 0.00 C ATOM 600 C LYS A 42 6.998 6.581 -8.697 1.00 0.00 C ATOM 601 O LYS A 42 7.089 7.623 -9.346 1.00 0.00 O ATOM 602 CB LYS A 42 8.768 4.998 -9.480 1.00 0.00 C ATOM 603 CG LYS A 42 7.682 4.245 -10.229 1.00 0.00 C ATOM 604 CD LYS A 42 8.125 3.885 -11.637 1.00 0.00 C ATOM 605 CE LYS A 42 9.383 3.031 -11.625 1.00 0.00 C ATOM 606 NZ LYS A 42 10.136 3.133 -12.906 1.00 0.00 N ATOM 0 H LYS A 42 7.723 3.965 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 42 9.009 6.516 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.273 5.673 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.514 4.286 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.425 3.337 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.780 4.855 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.324 3.348 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.308 4.796 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.025 3.342 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.114 1.990 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.986 2.536 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.533 2.812 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.416 4.122 -13.067 1.00 0.00 H new ATOM 620 N ALA A 43 5.834 6.069 -8.311 1.00 0.00 N ATOM 621 CA ALA A 43 4.569 6.718 -8.633 1.00 0.00 C ATOM 622 C ALA A 43 4.233 7.801 -7.615 1.00 0.00 C ATOM 623 O ALA A 43 3.446 8.706 -7.894 1.00 0.00 O ATOM 624 CB ALA A 43 3.451 5.688 -8.700 1.00 0.00 C ATOM 0 H ALA A 43 5.741 5.206 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 43 4.670 7.193 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.512 6.186 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.680 4.952 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.359 5.187 -7.736 1.00 0.00 H new ATOM 630 N SER A 44 4.833 7.704 -6.434 1.00 0.00 N ATOM 631 CA SER A 44 4.593 8.674 -5.371 1.00 0.00 C ATOM 632 C SER A 44 5.873 9.428 -5.025 1.00 0.00 C ATOM 633 O SER A 44 5.842 10.620 -4.722 1.00 0.00 O ATOM 634 CB SER A 44 4.048 7.974 -4.125 1.00 0.00 C ATOM 635 OG SER A 44 4.497 6.631 -4.057 1.00 0.00 O ATOM 0 H SER A 44 5.490 6.963 -6.188 1.00 0.00 H new ATOM 0 HA SER A 44 3.854 9.391 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.367 8.513 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.958 7.996 -4.139 1.00 0.00 H new ATOM 0 HG SER A 44 4.341 6.190 -4.918 1.00 0.00 H new ATOM 641 N GLY A 45 7.000 8.724 -5.074 1.00 0.00 N ATOM 642 CA GLY A 45 8.276 9.342 -4.765 1.00 0.00 C ATOM 643 C GLY A 45 8.717 9.076 -3.339 1.00 0.00 C ATOM 644 O GLY A 45 9.856 9.364 -2.971 1.00 0.00 O ATOM 0 H GLY A 45 7.052 7.736 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.034 8.967 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.204 10.418 -4.925 1.00 0.00 H new ATOM 648 N ALA A 46 7.815 8.526 -2.534 1.00 0.00 N ATOM 649 CA ALA A 46 8.117 8.221 -1.141 1.00 0.00 C ATOM 650 C ALA A 46 8.652 6.801 -0.994 1.00 0.00 C ATOM 651 O ALA A 46 8.256 5.896 -1.730 1.00 0.00 O ATOM 652 CB ALA A 46 6.878 8.412 -0.278 1.00 0.00 C ATOM 0 H ALA A 46 6.868 8.282 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 46 8.891 8.910 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.118 8.181 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.540 9.446 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.087 7.747 -0.624 1.00 0.00 H new ATOM 658 N LYS A 47 9.557 6.610 -0.039 1.00 0.00 N ATOM 659 CA LYS A 47 10.147 5.300 0.206 1.00 0.00 C ATOM 660 C LYS A 47 9.156 4.380 0.912 1.00 0.00 C ATOM 661 O LYS A 47 8.488 4.786 1.863 1.00 0.00 O ATOM 662 CB LYS A 47 11.418 5.441 1.047 1.00 0.00 C ATOM 663 CG LYS A 47 12.648 4.833 0.397 1.00 0.00 C ATOM 664 CD LYS A 47 12.570 3.316 0.361 1.00 0.00 C ATOM 665 CE LYS A 47 13.600 2.684 1.284 1.00 0.00 C ATOM 666 NZ LYS A 47 14.988 2.867 0.776 1.00 0.00 N ATOM 0 H LYS A 47 9.898 7.347 0.578 1.00 0.00 H new ATOM 0 HA LYS A 47 10.403 4.858 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.603 6.498 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.257 4.967 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.751 5.217 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.539 5.139 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.571 2.995 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.730 2.966 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.516 3.125 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.389 1.620 1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.630 2.221 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.015 2.659 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.290 3.849 0.937 1.00 0.00 H new ATOM 680 N ILE A 48 9.068 3.140 0.441 1.00 0.00 N ATOM 681 CA ILE A 48 8.161 2.164 1.029 1.00 0.00 C ATOM 682 C ILE A 48 8.856 0.822 1.234 1.00 0.00 C ATOM 683 O ILE A 48 9.523 0.311 0.334 1.00 0.00 O ATOM 684 CB ILE A 48 6.913 1.954 0.152 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.181 3.282 -0.058 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.986 0.927 0.784 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.802 3.542 -1.499 1.00 0.00 C ATOM 0 H ILE A 48 9.614 2.789 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 48 7.852 2.563 1.995 1.00 0.00 H new ATOM 0 HB ILE A 48 7.231 1.577 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.279 3.291 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.814 4.096 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.109 0.791 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.511 -0.023 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.673 1.276 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.287 4.500 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.702 3.566 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.143 2.748 -1.851 1.00 0.00 H new ATOM 699 N THR A 49 8.693 0.252 2.424 1.00 0.00 N ATOM 700 CA THR A 49 9.303 -1.031 2.748 1.00 0.00 C ATOM 701 C THR A 49 8.374 -1.880 3.608 1.00 0.00 C ATOM 702 O THR A 49 7.515 -1.354 4.316 1.00 0.00 O ATOM 703 CB THR A 49 10.642 -0.845 3.486 1.00 0.00 C ATOM 704 OG1 THR A 49 11.387 -2.069 3.463 1.00 0.00 O ATOM 705 CG2 THR A 49 10.411 -0.413 4.926 1.00 0.00 C ATOM 0 H THR A 49 8.143 0.660 3.180 1.00 0.00 H new ATOM 0 HA THR A 49 9.486 -1.542 1.803 1.00 0.00 H new ATOM 0 HB THR A 49 11.208 -0.065 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.238 -1.943 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.371 -0.288 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.869 0.532 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.827 -1.173 5.445 1.00 0.00 H new ATOM 713 N CYS A 50 8.554 -3.195 3.543 1.00 0.00 N ATOM 714 CA CYS A 50 7.731 -4.117 4.318 1.00 0.00 C ATOM 715 C CYS A 50 8.526 -4.715 5.475 1.00 0.00 C ATOM 716 O CYS A 50 9.747 -4.852 5.397 1.00 0.00 O ATOM 717 CB CYS A 50 7.197 -5.234 3.420 1.00 0.00 C ATOM 718 SG CYS A 50 8.471 -6.366 2.814 1.00 0.00 S ATOM 0 H CYS A 50 9.261 -3.646 2.963 1.00 0.00 H new ATOM 0 HA CYS A 50 6.891 -3.557 4.729 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.452 -5.805 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.687 -4.787 2.566 1.00 0.00 H new ATOM 0 HG CYS A 50 9.545 -6.236 3.534 1.00 0.00 H new ATOM 724 N ASP A 51 7.825 -5.067 6.547 1.00 0.00 N ATOM 725 CA ASP A 51 8.466 -5.649 7.721 1.00 0.00 C ATOM 726 C ASP A 51 9.538 -6.654 7.313 1.00 0.00 C ATOM 727 O ASP A 51 9.550 -7.141 6.182 1.00 0.00 O ATOM 728 CB ASP A 51 7.424 -6.328 8.611 1.00 0.00 C ATOM 729 CG ASP A 51 7.856 -6.392 10.063 1.00 0.00 C ATOM 730 OD1 ASP A 51 8.979 -6.870 10.328 1.00 0.00 O ATOM 731 OD2 ASP A 51 7.071 -5.962 10.934 1.00 0.00 O ATOM 0 H ASP A 51 6.814 -4.960 6.628 1.00 0.00 H new ATOM 0 HA ASP A 51 8.943 -4.845 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.481 -5.786 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.240 -7.338 8.245 1.00 0.00 H new ATOM 736 N LYS A 52 10.438 -6.959 8.241 1.00 0.00 N ATOM 737 CA LYS A 52 11.516 -7.907 7.979 1.00 0.00 C ATOM 738 C LYS A 52 11.700 -8.860 9.156 1.00 0.00 C ATOM 739 O LYS A 52 11.742 -10.077 8.980 1.00 0.00 O ATOM 740 CB LYS A 52 12.823 -7.161 7.704 1.00 0.00 C ATOM 741 CG LYS A 52 13.038 -5.958 8.606 1.00 0.00 C ATOM 742 CD LYS A 52 13.985 -6.282 9.749 1.00 0.00 C ATOM 743 CE LYS A 52 15.013 -5.179 9.952 1.00 0.00 C ATOM 744 NZ LYS A 52 15.329 -4.972 11.392 1.00 0.00 N ATOM 0 H LYS A 52 10.443 -6.564 9.181 1.00 0.00 H new ATOM 0 HA LYS A 52 11.247 -8.492 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.658 -7.851 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.832 -6.832 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.441 -5.131 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.080 -5.627 9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.414 -6.422 10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.495 -7.223 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.926 -5.430 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.637 -4.249 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.033 -4.212 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.463 -4.707 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.712 -5.852 11.793 1.00 0.00 H new ATOM 758 N GLU A 53 11.808 -8.298 10.356 1.00 0.00 N ATOM 759 CA GLU A 53 11.987 -9.099 11.561 1.00 0.00 C ATOM 760 C GLU A 53 11.162 -10.380 11.490 1.00 0.00 C ATOM 761 O GLU A 53 11.588 -11.433 11.965 1.00 0.00 O ATOM 762 CB GLU A 53 11.590 -8.292 12.799 1.00 0.00 C ATOM 763 CG GLU A 53 12.616 -7.246 13.199 1.00 0.00 C ATOM 764 CD GLU A 53 12.728 -7.082 14.703 1.00 0.00 C ATOM 765 OE1 GLU A 53 12.813 -8.111 15.406 1.00 0.00 O ATOM 766 OE2 GLU A 53 12.730 -5.926 15.176 1.00 0.00 O ATOM 0 H GLU A 53 11.775 -7.292 10.519 1.00 0.00 H new ATOM 0 HA GLU A 53 13.040 -9.369 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.636 -7.799 12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.436 -8.976 13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.589 -7.524 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.347 -6.289 12.752 1.00 0.00 H new ATOM 773 N SER A 54 9.977 -10.283 10.894 1.00 0.00 N ATOM 774 CA SER A 54 9.090 -11.433 10.764 1.00 0.00 C ATOM 775 C SER A 54 8.937 -11.837 9.300 1.00 0.00 C ATOM 776 O SER A 54 8.176 -11.223 8.553 1.00 0.00 O ATOM 777 CB SER A 54 7.720 -11.117 11.365 1.00 0.00 C ATOM 778 OG SER A 54 7.774 -11.100 12.781 1.00 0.00 O ATOM 0 H SER A 54 9.610 -9.420 10.494 1.00 0.00 H new ATOM 0 HA SER A 54 9.533 -12.267 11.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.374 -10.150 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.995 -11.861 11.035 1.00 0.00 H new ATOM 0 HG SER A 54 6.886 -10.894 13.140 1.00 0.00 H new ATOM 784 N GLU A 55 9.664 -12.875 8.900 1.00 0.00 N ATOM 785 CA GLU A 55 9.609 -13.362 7.527 1.00 0.00 C ATOM 786 C GLU A 55 8.230 -13.934 7.207 1.00 0.00 C ATOM 787 O GLU A 55 7.321 -13.893 8.035 1.00 0.00 O ATOM 788 CB GLU A 55 10.681 -14.428 7.296 1.00 0.00 C ATOM 789 CG GLU A 55 11.883 -13.923 6.514 1.00 0.00 C ATOM 790 CD GLU A 55 12.951 -13.325 7.407 1.00 0.00 C ATOM 791 OE1 GLU A 55 13.533 -14.074 8.219 1.00 0.00 O ATOM 792 OE2 GLU A 55 13.206 -12.107 7.295 1.00 0.00 O ATOM 0 H GLU A 55 10.298 -13.395 9.507 1.00 0.00 H new ATOM 0 HA GLU A 55 9.797 -12.519 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.019 -14.807 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.237 -15.268 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.312 -14.746 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.554 -13.173 5.795 1.00 0.00 H new ATOM 799 N GLY A 56 8.083 -14.468 5.998 1.00 0.00 N ATOM 800 CA GLY A 56 6.814 -15.040 5.589 1.00 0.00 C ATOM 801 C GLY A 56 6.638 -16.466 6.074 1.00 0.00 C ATOM 802 O GLY A 56 6.278 -17.353 5.299 1.00 0.00 O ATOM 0 H GLY A 56 8.820 -14.514 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.001 -14.425 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.742 -15.018 4.502 1.00 0.00 H new ATOM 806 N THR A 57 6.894 -16.689 7.359 1.00 0.00 N ATOM 807 CA THR A 57 6.765 -18.017 7.945 1.00 0.00 C ATOM 808 C THR A 57 5.302 -18.369 8.191 1.00 0.00 C ATOM 809 O THR A 57 4.721 -19.189 7.479 1.00 0.00 O ATOM 810 CB THR A 57 7.538 -18.122 9.274 1.00 0.00 C ATOM 811 OG1 THR A 57 8.917 -17.800 9.066 1.00 0.00 O ATOM 812 CG2 THR A 57 7.421 -19.522 9.857 1.00 0.00 C ATOM 0 H THR A 57 7.192 -15.966 8.014 1.00 0.00 H new ATOM 0 HA THR A 57 7.190 -18.721 7.230 1.00 0.00 H new ATOM 0 HB THR A 57 7.103 -17.414 9.979 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.400 -17.868 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.974 -19.573 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.372 -19.753 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.833 -20.245 9.153 1.00 0.00 H new ATOM 820 N LEU A 58 4.711 -17.743 9.203 1.00 0.00 N ATOM 821 CA LEU A 58 3.313 -17.990 9.544 1.00 0.00 C ATOM 822 C LEU A 58 2.720 -16.807 10.300 1.00 0.00 C ATOM 823 O LEU A 58 1.747 -16.953 11.041 1.00 0.00 O ATOM 824 CB LEU A 58 3.191 -19.261 10.386 1.00 0.00 C ATOM 825 CG LEU A 58 1.779 -19.829 10.542 1.00 0.00 C ATOM 826 CD1 LEU A 58 1.516 -20.900 9.496 1.00 0.00 C ATOM 827 CD2 LEU A 58 1.581 -20.389 11.944 1.00 0.00 C ATOM 0 H LEU A 58 5.177 -17.061 9.802 1.00 0.00 H new ATOM 0 HA LEU A 58 2.756 -18.121 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.823 -20.030 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.590 -19.055 11.379 1.00 0.00 H new ATOM 0 HG LEU A 58 1.064 -19.020 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.507 -21.292 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.615 -20.468 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.237 -21.709 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.571 -20.789 12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.304 -21.185 12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.726 -19.595 12.677 1.00 0.00 H new ATOM 839 N LEU A 59 3.310 -15.632 10.106 1.00 0.00 N ATOM 840 CA LEU A 59 2.838 -14.420 10.767 1.00 0.00 C ATOM 841 C LEU A 59 1.333 -14.251 10.586 1.00 0.00 C ATOM 842 O LEU A 59 0.677 -15.078 9.950 1.00 0.00 O ATOM 843 CB LEU A 59 3.570 -13.196 10.215 1.00 0.00 C ATOM 844 CG LEU A 59 3.900 -13.227 8.723 1.00 0.00 C ATOM 845 CD1 LEU A 59 2.654 -13.531 7.907 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.519 -11.909 8.285 1.00 0.00 C ATOM 0 H LEU A 59 4.116 -15.493 9.496 1.00 0.00 H new ATOM 0 HA LEU A 59 3.049 -14.512 11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.962 -12.314 10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.500 -13.073 10.770 1.00 0.00 H new ATOM 0 HG LEU A 59 4.626 -14.021 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.908 -13.549 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.255 -14.502 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.904 -12.761 8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.747 -11.950 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.817 -11.097 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.437 -11.734 8.846 1.00 0.00 H new ATOM 858 N LEU A 60 0.792 -13.176 11.147 1.00 0.00 N ATOM 859 CA LEU A 60 -0.637 -12.897 11.046 1.00 0.00 C ATOM 860 C LEU A 60 -0.898 -11.732 10.095 1.00 0.00 C ATOM 861 O LEU A 60 -1.616 -11.876 9.105 1.00 0.00 O ATOM 862 CB LEU A 60 -1.215 -12.582 12.426 1.00 0.00 C ATOM 863 CG LEU A 60 -1.346 -13.767 13.385 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.263 -13.297 14.829 1.00 0.00 C ATOM 865 CD2 LEU A 60 -2.651 -14.510 13.138 1.00 0.00 C ATOM 0 H LEU A 60 1.321 -12.483 11.677 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.128 -13.785 10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.586 -11.826 12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.201 -12.138 12.292 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.519 -14.453 13.200 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.358 -14.153 15.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.303 -12.810 14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.069 -12.590 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.728 -15.350 13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.491 -13.833 13.295 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.670 -14.880 12.113 1.00 0.00 H new ATOM 877 N SER A 61 -0.308 -10.582 10.402 1.00 0.00 N ATOM 878 CA SER A 61 -0.478 -9.392 9.576 1.00 0.00 C ATOM 879 C SER A 61 0.873 -8.782 9.217 1.00 0.00 C ATOM 880 O SER A 61 1.872 -9.018 9.896 1.00 0.00 O ATOM 881 CB SER A 61 -1.340 -8.358 10.304 1.00 0.00 C ATOM 882 OG SER A 61 -2.693 -8.776 10.368 1.00 0.00 O ATOM 0 H SER A 61 0.292 -10.448 11.216 1.00 0.00 H new ATOM 0 HA SER A 61 -0.979 -9.689 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.955 -8.204 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.276 -7.399 9.789 1.00 0.00 H new ATOM 0 HG SER A 61 -3.223 -8.099 10.839 1.00 0.00 H new ATOM 888 N ARG A 62 0.895 -7.996 8.146 1.00 0.00 N ATOM 889 CA ARG A 62 2.123 -7.353 7.695 1.00 0.00 C ATOM 890 C ARG A 62 2.095 -5.857 7.998 1.00 0.00 C ATOM 891 O ARG A 62 1.042 -5.291 8.292 1.00 0.00 O ATOM 892 CB ARG A 62 2.321 -7.577 6.195 1.00 0.00 C ATOM 893 CG ARG A 62 3.706 -8.088 5.833 1.00 0.00 C ATOM 894 CD ARG A 62 3.891 -9.537 6.252 1.00 0.00 C ATOM 895 NE ARG A 62 3.652 -10.463 5.147 1.00 0.00 N ATOM 896 CZ ARG A 62 4.558 -10.745 4.216 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.755 -10.177 4.258 1.00 0.00 N ATOM 898 NH2 ARG A 62 4.265 -11.596 3.242 1.00 0.00 N ATOM 0 H ARG A 62 0.076 -7.789 7.574 1.00 0.00 H new ATOM 0 HA ARG A 62 2.958 -7.801 8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.576 -8.290 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.140 -6.639 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.859 -7.996 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.462 -7.469 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.903 -9.678 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.210 -9.767 7.071 1.00 0.00 H new ATOM 0 HE ARG A 62 2.741 -10.917 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.983 -9.522 5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.448 -10.395 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.345 -12.034 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.960 -11.812 2.528 1.00 0.00 H new ATOM 912 N LEU A 63 3.260 -5.223 7.922 1.00 0.00 N ATOM 913 CA LEU A 63 3.370 -3.792 8.189 1.00 0.00 C ATOM 914 C LEU A 63 4.308 -3.123 7.188 1.00 0.00 C ATOM 915 O LEU A 63 5.353 -3.672 6.839 1.00 0.00 O ATOM 916 CB LEU A 63 3.874 -3.556 9.613 1.00 0.00 C ATOM 917 CG LEU A 63 3.942 -2.098 10.068 1.00 0.00 C ATOM 918 CD1 LEU A 63 2.573 -1.441 9.959 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.467 -2.007 11.494 1.00 0.00 C ATOM 0 H LEU A 63 4.141 -5.676 7.678 1.00 0.00 H new ATOM 0 HA LEU A 63 2.379 -3.350 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.227 -4.101 10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.870 -3.990 9.701 1.00 0.00 H new ATOM 0 HG LEU A 63 4.632 -1.565 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.640 -0.404 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.236 -1.473 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.862 -1.975 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.508 -0.962 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.802 -2.555 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.467 -2.439 11.542 1.00 0.00 H new ATOM 931 N ILE A 64 3.926 -1.935 6.732 1.00 0.00 N ATOM 932 CA ILE A 64 4.733 -1.190 5.774 1.00 0.00 C ATOM 933 C ILE A 64 5.324 0.064 6.410 1.00 0.00 C ATOM 934 O ILE A 64 4.811 0.567 7.409 1.00 0.00 O ATOM 935 CB ILE A 64 3.909 -0.785 4.537 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.470 -2.029 3.760 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.715 0.145 3.644 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.576 -2.647 2.934 1.00 0.00 C ATOM 0 H ILE A 64 3.063 -1.468 7.010 1.00 0.00 H new ATOM 0 HA ILE A 64 5.541 -1.851 5.461 1.00 0.00 H new ATOM 0 HB ILE A 64 3.018 -0.254 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.094 -2.772 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.642 -1.764 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.119 0.422 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.983 1.043 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.622 -0.362 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.193 -3.523 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.937 -1.920 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.396 -2.944 3.588 1.00 0.00 H new ATOM 950 N LYS A 65 6.404 0.565 5.822 1.00 0.00 N ATOM 951 CA LYS A 65 7.065 1.764 6.329 1.00 0.00 C ATOM 952 C LYS A 65 7.228 2.803 5.225 1.00 0.00 C ATOM 953 O LYS A 65 8.028 2.626 4.306 1.00 0.00 O ATOM 954 CB LYS A 65 8.433 1.407 6.914 1.00 0.00 C ATOM 955 CG LYS A 65 8.477 1.461 8.432 1.00 0.00 C ATOM 956 CD LYS A 65 9.854 1.095 8.963 1.00 0.00 C ATOM 957 CE LYS A 65 10.865 2.199 8.698 1.00 0.00 C ATOM 958 NZ LYS A 65 12.015 2.136 9.642 1.00 0.00 N ATOM 0 H LYS A 65 6.841 0.161 4.994 1.00 0.00 H new ATOM 0 HA LYS A 65 6.440 2.189 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.709 0.405 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.181 2.091 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.210 2.463 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.734 0.778 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.793 0.905 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.192 0.171 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.231 2.119 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.375 3.169 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.682 2.905 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.669 2.238 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.498 1.221 9.540 1.00 0.00 H new ATOM 972 N ILE A 66 6.465 3.886 5.321 1.00 0.00 N ATOM 973 CA ILE A 66 6.527 4.954 4.332 1.00 0.00 C ATOM 974 C ILE A 66 7.373 6.120 4.834 1.00 0.00 C ATOM 975 O ILE A 66 7.323 6.474 6.011 1.00 0.00 O ATOM 976 CB ILE A 66 5.121 5.472 3.972 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.235 4.317 3.501 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.212 6.549 2.902 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.795 4.442 3.947 1.00 0.00 C ATOM 0 H ILE A 66 5.796 4.047 6.074 1.00 0.00 H new ATOM 0 HA ILE A 66 6.988 4.531 3.440 1.00 0.00 H new ATOM 0 HB ILE A 66 4.671 5.910 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.267 4.265 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.644 3.379 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.211 6.905 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.813 7.380 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.678 6.135 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.225 3.590 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.752 4.463 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.369 5.363 3.549 1.00 0.00 H new ATOM 991 N SER A 67 8.147 6.714 3.931 1.00 0.00 N ATOM 992 CA SER A 67 9.006 7.839 4.282 1.00 0.00 C ATOM 993 C SER A 67 9.188 8.776 3.092 1.00 0.00 C ATOM 994 O SER A 67 9.062 8.365 1.939 1.00 0.00 O ATOM 995 CB SER A 67 10.368 7.337 4.764 1.00 0.00 C ATOM 996 OG SER A 67 10.893 6.361 3.881 1.00 0.00 O ATOM 0 H SER A 67 8.197 6.435 2.951 1.00 0.00 H new ATOM 0 HA SER A 67 8.525 8.393 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.062 8.174 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.270 6.913 5.763 1.00 0.00 H new ATOM 0 HG SER A 67 11.765 6.057 4.210 1.00 0.00 H new ATOM 1002 N GLY A 68 9.485 10.039 3.381 1.00 0.00 N ATOM 1003 CA GLY A 68 9.680 11.016 2.326 1.00 0.00 C ATOM 1004 C GLY A 68 9.064 12.360 2.658 1.00 0.00 C ATOM 1005 O GLY A 68 8.790 12.656 3.822 1.00 0.00 O ATOM 0 H GLY A 68 9.594 10.403 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.747 11.144 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.244 10.639 1.401 1.00 0.00 H new ATOM 1009 N THR A 69 8.846 13.179 1.634 1.00 0.00 N ATOM 1010 CA THR A 69 8.260 14.500 1.824 1.00 0.00 C ATOM 1011 C THR A 69 6.744 14.417 1.952 1.00 0.00 C ATOM 1012 O THR A 69 6.112 13.532 1.375 1.00 0.00 O ATOM 1013 CB THR A 69 8.615 15.444 0.659 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.073 14.936 -0.565 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.123 15.599 0.527 1.00 0.00 C ATOM 0 H THR A 69 9.066 12.951 0.665 1.00 0.00 H new ATOM 0 HA THR A 69 8.677 14.901 2.748 1.00 0.00 H new ATOM 0 HB THR A 69 8.183 16.423 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.301 15.542 -1.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.349 16.270 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.528 16.014 1.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.574 14.625 0.338 1.00 0.00 H new ATOM 1023 N GLN A 70 6.166 15.344 2.710 1.00 0.00 N ATOM 1024 CA GLN A 70 4.723 15.374 2.912 1.00 0.00 C ATOM 1025 C GLN A 70 3.985 15.110 1.605 1.00 0.00 C ATOM 1026 O GLN A 70 2.881 14.565 1.602 1.00 0.00 O ATOM 1027 CB GLN A 70 4.296 16.724 3.490 1.00 0.00 C ATOM 1028 CG GLN A 70 2.926 16.699 4.148 1.00 0.00 C ATOM 1029 CD GLN A 70 2.943 16.030 5.508 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.782 16.341 6.354 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.015 15.106 5.727 1.00 0.00 N ATOM 0 H GLN A 70 6.675 16.084 3.194 1.00 0.00 H new ATOM 0 HA GLN A 70 4.464 14.586 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.036 17.046 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.293 17.467 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.560 17.720 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.225 16.175 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.339 14.879 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.978 14.623 6.625 1.00 0.00 H new ATOM 1040 N LYS A 71 4.601 15.500 0.494 1.00 0.00 N ATOM 1041 CA LYS A 71 4.002 15.305 -0.821 1.00 0.00 C ATOM 1042 C LYS A 71 3.953 13.824 -1.183 1.00 0.00 C ATOM 1043 O LYS A 71 2.961 13.342 -1.728 1.00 0.00 O ATOM 1044 CB LYS A 71 4.793 16.074 -1.883 1.00 0.00 C ATOM 1045 CG LYS A 71 4.531 17.571 -1.870 1.00 0.00 C ATOM 1046 CD LYS A 71 3.043 17.877 -1.902 1.00 0.00 C ATOM 1047 CE LYS A 71 2.781 19.330 -2.265 1.00 0.00 C ATOM 1048 NZ LYS A 71 2.750 19.537 -3.739 1.00 0.00 N ATOM 0 H LYS A 71 5.515 15.953 0.478 1.00 0.00 H new ATOM 0 HA LYS A 71 2.982 15.687 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.858 15.898 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.544 15.678 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.975 18.011 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.017 18.034 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.552 17.226 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.605 17.659 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.831 19.646 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.555 19.959 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.569 20.540 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.665 19.259 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.994 18.956 -4.155 1.00 0.00 H new ATOM 1062 N GLU A 72 5.030 13.108 -0.874 1.00 0.00 N ATOM 1063 CA GLU A 72 5.108 11.682 -1.168 1.00 0.00 C ATOM 1064 C GLU A 72 4.414 10.866 -0.081 1.00 0.00 C ATOM 1065 O GLU A 72 3.367 10.262 -0.315 1.00 0.00 O ATOM 1066 CB GLU A 72 6.568 11.244 -1.295 1.00 0.00 C ATOM 1067 CG GLU A 72 7.433 12.227 -2.066 1.00 0.00 C ATOM 1068 CD GLU A 72 8.913 12.042 -1.791 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.260 11.645 -0.659 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.723 12.295 -2.707 1.00 0.00 O ATOM 0 H GLU A 72 5.859 13.492 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 72 4.599 11.503 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.986 11.109 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.606 10.274 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.248 12.108 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.143 13.244 -1.803 1.00 0.00 H new ATOM 1077 N VAL A 73 5.006 10.850 1.109 1.00 0.00 N ATOM 1078 CA VAL A 73 4.446 10.109 2.233 1.00 0.00 C ATOM 1079 C VAL A 73 2.923 10.185 2.236 1.00 0.00 C ATOM 1080 O VAL A 73 2.248 9.273 2.714 1.00 0.00 O ATOM 1081 CB VAL A 73 4.978 10.640 3.577 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.401 9.838 4.735 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.499 10.602 3.599 1.00 0.00 C ATOM 0 H VAL A 73 5.874 11.342 1.320 1.00 0.00 H new ATOM 0 HA VAL A 73 4.756 9.071 2.114 1.00 0.00 H new ATOM 0 HB VAL A 73 4.660 11.676 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.788 10.228 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.314 9.920 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.687 8.791 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.859 10.981 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.839 9.575 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.890 11.223 2.793 1.00 0.00 H new ATOM 1093 N ALA A 74 2.389 11.278 1.702 1.00 0.00 N ATOM 1094 CA ALA A 74 0.946 11.471 1.641 1.00 0.00 C ATOM 1095 C ALA A 74 0.355 10.808 0.402 1.00 0.00 C ATOM 1096 O ALA A 74 -0.712 10.198 0.462 1.00 0.00 O ATOM 1097 CB ALA A 74 0.612 12.955 1.658 1.00 0.00 C ATOM 0 H ALA A 74 2.934 12.043 1.305 1.00 0.00 H new ATOM 0 HA ALA A 74 0.504 11.000 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.469 13.085 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.993 13.403 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.073 13.442 0.798 1.00 0.00 H new ATOM 1103 N ALA A 75 1.053 10.933 -0.722 1.00 0.00 N ATOM 1104 CA ALA A 75 0.598 10.345 -1.975 1.00 0.00 C ATOM 1105 C ALA A 75 0.785 8.831 -1.971 1.00 0.00 C ATOM 1106 O ALA A 75 -0.145 8.081 -2.264 1.00 0.00 O ATOM 1107 CB ALA A 75 1.338 10.967 -3.150 1.00 0.00 C ATOM 0 H ALA A 75 1.937 11.437 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.467 10.553 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.988 10.518 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.149 12.040 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.408 10.789 -3.042 1.00 0.00 H new ATOM 1113 N ALA A 76 1.994 8.391 -1.638 1.00 0.00 N ATOM 1114 CA ALA A 76 2.302 6.967 -1.595 1.00 0.00 C ATOM 1115 C ALA A 76 1.313 6.217 -0.708 1.00 0.00 C ATOM 1116 O ALA A 76 0.891 5.106 -1.031 1.00 0.00 O ATOM 1117 CB ALA A 76 3.725 6.749 -1.101 1.00 0.00 C ATOM 0 H ALA A 76 2.775 9.000 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 76 2.215 6.572 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.941 5.681 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.424 7.244 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.830 7.166 -0.099 1.00 0.00 H new ATOM 1123 N LYS A 77 0.946 6.831 0.411 1.00 0.00 N ATOM 1124 CA LYS A 77 0.006 6.223 1.346 1.00 0.00 C ATOM 1125 C LYS A 77 -1.314 5.897 0.653 1.00 0.00 C ATOM 1126 O LYS A 77 -2.016 4.963 1.042 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.245 7.159 2.530 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.398 6.433 3.856 1.00 0.00 C ATOM 1129 CD LYS A 77 -0.068 7.340 5.029 1.00 0.00 C ATOM 1130 CE LYS A 77 -1.234 8.255 5.372 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.423 9.319 4.347 1.00 0.00 N ATOM 0 H LYS A 77 1.285 7.751 0.693 1.00 0.00 H new ATOM 0 HA LYS A 77 0.444 5.294 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.581 7.866 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.146 7.741 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.419 6.066 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.257 5.562 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.188 6.734 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.809 7.941 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.147 7.665 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.061 8.715 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.692 10.208 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.535 9.458 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.174 9.035 3.686 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.645 6.671 -0.375 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.880 6.463 -1.122 1.00 0.00 C ATOM 1147 C HIS A 78 -2.742 5.286 -2.083 1.00 0.00 C ATOM 1148 O HIS A 78 -3.649 4.463 -2.208 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.252 7.727 -1.896 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.619 7.676 -2.505 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.693 8.385 -2.008 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.086 6.996 -3.580 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.759 8.142 -2.749 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.417 7.302 -3.709 1.00 0.00 N ATOM 0 H HIS A 78 -1.075 7.448 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.673 6.236 -0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.194 8.584 -1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.518 7.889 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.516 6.336 -4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.743 8.559 -2.596 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.041 6.940 -4.430 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.601 5.214 -2.760 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.343 4.138 -3.712 1.00 0.00 C ATOM 1164 C LEU A 79 -1.271 2.789 -3.003 1.00 0.00 C ATOM 1165 O LEU A 79 -2.000 1.857 -3.345 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.039 4.399 -4.467 1.00 0.00 C ATOM 1167 CG LEU A 79 0.098 5.780 -5.111 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.456 5.924 -5.780 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.020 6.012 -6.117 1.00 0.00 C ATOM 0 H LEU A 79 -0.840 5.887 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.168 4.111 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.792 4.258 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.063 3.644 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 79 0.019 6.534 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.536 6.912 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.243 5.801 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.564 5.162 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.907 6.999 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.972 5.252 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.983 5.952 -5.611 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.390 2.693 -2.013 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.225 1.460 -1.253 1.00 0.00 C ATOM 1183 C ILE A 80 -1.576 0.882 -0.844 1.00 0.00 C ATOM 1184 O ILE A 80 -1.762 -0.335 -0.823 1.00 0.00 O ATOM 1185 CB ILE A 80 0.627 1.685 0.009 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.978 2.300 -0.364 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.823 0.375 0.756 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.485 3.305 0.646 1.00 0.00 C ATOM 0 H ILE A 80 0.221 3.455 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 80 0.288 0.754 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 80 0.102 2.379 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.713 1.503 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.891 2.786 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.427 0.551 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.147 -0.025 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.330 -0.341 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.446 3.699 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.770 4.122 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.605 2.819 1.614 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.517 1.763 -0.523 1.00 0.00 N ATOM 1201 CA LEU A 81 -3.853 1.342 -0.116 1.00 0.00 C ATOM 1202 C LEU A 81 -4.677 0.904 -1.323 1.00 0.00 C ATOM 1203 O LEU A 81 -5.442 -0.058 -1.248 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.567 2.478 0.617 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.294 2.584 2.118 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.454 4.022 2.588 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.222 1.661 2.896 1.00 0.00 C ATOM 0 H LEU A 81 -2.379 2.774 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.749 0.492 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.283 3.421 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.641 2.360 0.471 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.266 2.273 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.256 4.079 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.749 4.660 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.471 4.359 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.013 1.750 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.258 1.941 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.060 0.631 2.579 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.513 1.614 -2.435 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.240 1.296 -3.658 1.00 0.00 C ATOM 1221 C GLU A 82 -5.155 -0.195 -3.970 1.00 0.00 C ATOM 1222 O GLU A 82 -6.073 -0.772 -4.555 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.687 2.107 -4.832 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.021 3.588 -4.761 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.404 4.164 -6.110 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -4.499 4.613 -6.842 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -6.611 4.165 -6.432 1.00 0.00 O ATOM 0 H GLU A 82 -3.883 2.413 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.287 1.558 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.604 1.989 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.081 1.699 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.842 3.738 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.162 4.132 -4.368 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.048 -0.814 -3.576 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.841 -2.237 -3.811 1.00 0.00 C ATOM 1236 C LYS A 83 -4.562 -3.074 -2.759 1.00 0.00 C ATOM 1237 O LYS A 83 -5.093 -4.144 -3.058 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.347 -2.566 -3.802 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.651 -2.272 -5.120 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.583 -0.780 -5.394 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.063 -0.492 -6.795 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.166 -0.426 -7.793 1.00 0.00 N ATOM 0 H LYS A 83 -3.279 -0.351 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.254 -2.480 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.863 -1.995 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.217 -3.621 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.643 -2.685 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.183 -2.768 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.574 -0.342 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.934 -0.303 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.518 0.452 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.355 -1.268 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.771 -0.228 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.671 -1.335 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.828 0.332 -7.529 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.579 -2.579 -1.526 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.237 -3.279 -0.429 1.00 0.00 C ATOM 1258 C VAL A 84 -6.706 -3.538 -0.746 1.00 0.00 C ATOM 1259 O VAL A 84 -7.195 -4.658 -0.598 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.140 -2.482 0.885 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.174 -2.974 1.886 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.736 -2.580 1.465 1.00 0.00 C ATOM 0 H VAL A 84 -4.144 -1.695 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.721 -4.231 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.348 -1.434 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.090 -2.399 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.173 -2.847 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.001 -4.029 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.685 -2.011 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.497 -3.624 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.018 -2.175 0.751 1.00 0.00 H new ATOM 1272 N SER A 85 -7.405 -2.495 -1.182 1.00 0.00 N ATOM 1273 CA SER A 85 -8.819 -2.608 -1.517 1.00 0.00 C ATOM 1274 C SER A 85 -9.020 -3.503 -2.736 1.00 0.00 C ATOM 1275 O SER A 85 -10.063 -4.136 -2.890 1.00 0.00 O ATOM 1276 CB SER A 85 -9.415 -1.224 -1.783 1.00 0.00 C ATOM 1277 OG SER A 85 -10.144 -0.759 -0.660 1.00 0.00 O ATOM 0 H SER A 85 -7.014 -1.562 -1.311 1.00 0.00 H new ATOM 0 HA SER A 85 -9.332 -3.060 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.617 -0.520 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.070 -1.268 -2.653 1.00 0.00 H new ATOM 0 HG SER A 85 -10.513 0.128 -0.854 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.010 -3.549 -3.601 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.075 -4.366 -4.807 1.00 0.00 C ATOM 1285 C GLU A 86 -8.236 -5.842 -4.456 1.00 0.00 C ATOM 1286 O GLU A 86 -9.245 -6.464 -4.790 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.817 -4.165 -5.654 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.004 -3.187 -6.801 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.765 -3.825 -8.156 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -7.572 -4.687 -8.558 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.767 -3.461 -8.814 1.00 0.00 O ATOM 0 H GLU A 86 -7.139 -3.031 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.945 -4.051 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.011 -3.809 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.503 -5.128 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.016 -2.782 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.321 -2.348 -6.673 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.234 -6.397 -3.784 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.263 -7.800 -3.388 1.00 0.00 C ATOM 1300 C ASP A 87 -8.446 -8.080 -2.467 1.00 0.00 C ATOM 1301 O ASP A 87 -8.895 -9.220 -2.348 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.956 -8.183 -2.691 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.659 -9.666 -2.793 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.454 -10.468 -2.260 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.632 -10.024 -3.404 1.00 0.00 O ATOM 0 H ASP A 87 -6.391 -5.897 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.376 -8.404 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.134 -7.620 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.011 -7.898 -1.640 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.944 -7.033 -1.817 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.074 -7.168 -0.904 1.00 0.00 C ATOM 1312 C GLU A 88 -11.329 -7.607 -1.653 1.00 0.00 C ATOM 1313 O GLU A 88 -12.057 -8.490 -1.202 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.335 -5.844 -0.181 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.657 -5.810 0.566 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.477 -5.850 2.072 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.388 -5.469 2.549 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.426 -6.261 2.772 1.00 0.00 O ATOM 0 H GLU A 88 -8.584 -6.083 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.825 -7.933 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.524 -5.658 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.317 -5.033 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.201 -4.906 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.268 -6.657 0.254 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.575 -6.982 -2.801 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.743 -7.307 -3.613 1.00 0.00 C ATOM 1327 C GLU A 89 -12.421 -8.418 -4.607 1.00 0.00 C ATOM 1328 O GLU A 89 -13.200 -9.356 -4.781 1.00 0.00 O ATOM 1329 CB GLU A 89 -13.234 -6.065 -4.358 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.640 -5.638 -3.970 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.294 -4.759 -5.018 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -15.124 -3.524 -4.945 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -15.975 -5.305 -5.910 1.00 0.00 O ATOM 0 H GLU A 89 -10.982 -6.249 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.532 -7.657 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.547 -5.241 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.205 -6.260 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.254 -6.525 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.604 -5.101 -3.022 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.269 -8.304 -5.260 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.844 -9.297 -6.240 1.00 0.00 C ATOM 1342 C LEU A 90 -11.159 -10.709 -5.756 1.00 0.00 C ATOM 1343 O LEU A 90 -11.593 -11.561 -6.533 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.344 -9.163 -6.514 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.468 -10.318 -6.028 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.746 -11.576 -6.835 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.995 -9.941 -6.114 1.00 0.00 C ATOM 0 H LEU A 90 -10.613 -7.534 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.394 -9.118 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.200 -9.051 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.990 -8.244 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.712 -10.520 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.113 -12.387 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.793 -11.856 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.531 -11.388 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.385 -10.774 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.738 -9.712 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.806 -9.067 -5.491 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.941 -10.950 -4.467 1.00 0.00 N ATOM 1360 CA ARG A 91 -11.203 -12.258 -3.878 1.00 0.00 C ATOM 1361 C ARG A 91 -12.699 -12.474 -3.677 1.00 0.00 C ATOM 1362 O ARG A 91 -13.211 -13.576 -3.875 1.00 0.00 O ATOM 1363 CB ARG A 91 -10.471 -12.395 -2.541 1.00 0.00 C ATOM 1364 CG ARG A 91 -8.958 -12.386 -2.672 1.00 0.00 C ATOM 1365 CD ARG A 91 -8.311 -13.385 -1.724 1.00 0.00 C ATOM 1366 NE ARG A 91 -6.869 -13.486 -1.936 1.00 0.00 N ATOM 1367 CZ ARG A 91 -6.067 -14.228 -1.181 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -6.562 -14.932 -0.174 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -4.766 -14.269 -1.436 1.00 0.00 N ATOM 0 H ARG A 91 -10.583 -10.256 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.834 -13.019 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.775 -11.580 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.780 -13.323 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.679 -12.624 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.579 -11.386 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.506 -13.086 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.767 -14.365 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.456 -12.958 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.562 -14.905 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.943 -15.501 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.381 -13.731 -2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.150 -14.839 -0.856 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.397 -11.414 -3.281 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.835 -11.485 -3.053 1.00 0.00 C ATOM 1385 C LYS A 92 -15.570 -11.869 -4.332 1.00 0.00 C ATOM 1386 O LYS A 92 -16.522 -12.649 -4.303 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.357 -10.143 -2.535 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.907 -9.821 -1.121 1.00 0.00 C ATOM 1389 CD LYS A 92 -16.054 -9.935 -0.131 1.00 0.00 C ATOM 1390 CE LYS A 92 -17.037 -8.784 -0.280 1.00 0.00 C ATOM 1391 NZ LYS A 92 -18.343 -9.238 -0.834 1.00 0.00 N ATOM 0 H LYS A 92 -12.989 -10.495 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.021 -12.254 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.022 -9.350 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.446 -10.149 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.105 -10.500 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.497 -8.811 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.574 -10.881 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.659 -9.948 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.198 -8.316 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.610 -8.024 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.090 -8.570 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.285 -9.278 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.567 -10.183 -0.463 1.00 0.00 H new ATOM 1405 N ARG A 93 -15.122 -11.318 -5.456 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.738 -11.603 -6.747 1.00 0.00 C ATOM 1407 C ARG A 93 -15.699 -13.098 -7.049 1.00 0.00 C ATOM 1408 O ARG A 93 -16.456 -13.592 -7.884 1.00 0.00 O ATOM 1409 CB ARG A 93 -15.028 -10.828 -7.857 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.253 -9.326 -7.792 1.00 0.00 C ATOM 1411 CD ARG A 93 -15.350 -8.717 -9.181 1.00 0.00 C ATOM 1412 NE ARG A 93 -16.595 -7.976 -9.368 1.00 0.00 N ATOM 1413 CZ ARG A 93 -16.913 -7.345 -10.494 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -16.082 -7.366 -11.527 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -18.065 -6.692 -10.586 1.00 0.00 N ATOM 0 H ARG A 93 -14.334 -10.671 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.780 -11.286 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.958 -11.029 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.372 -11.197 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -16.168 -9.118 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.435 -8.858 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.503 -8.050 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.283 -9.507 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 93 -17.256 -7.941 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.196 -7.867 -11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.329 -6.881 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -18.706 -6.674 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -18.309 -6.208 -11.450 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.809 -13.812 -6.365 1.00 0.00 N ATOM 1430 CA ILE A 94 -14.671 -15.249 -6.561 1.00 0.00 C ATOM 1431 C ILE A 94 -15.596 -16.022 -5.626 1.00 0.00 C ATOM 1432 O ILE A 94 -16.238 -16.990 -6.033 1.00 0.00 O ATOM 1433 CB ILE A 94 -13.221 -15.713 -6.329 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -12.240 -14.722 -6.958 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -13.014 -17.108 -6.899 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -12.441 -14.534 -8.446 1.00 0.00 C ATOM 0 H ILE A 94 -14.174 -13.418 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.948 -15.454 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.033 -15.750 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.342 -13.757 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.222 -15.067 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.984 -17.422 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.693 -17.806 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.216 -17.097 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.711 -13.818 -8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.310 -15.489 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.447 -14.159 -8.633 1.00 0.00 H new ATOM 1448 N ALA A 95 -15.660 -15.586 -4.372 1.00 0.00 N ATOM 1449 CA ALA A 95 -16.508 -16.235 -3.381 1.00 0.00 C ATOM 1450 C ALA A 95 -17.981 -16.107 -3.751 1.00 0.00 C ATOM 1451 O ALA A 95 -18.755 -17.054 -3.597 1.00 0.00 O ATOM 1452 CB ALA A 95 -16.256 -15.644 -2.001 1.00 0.00 C ATOM 0 H ALA A 95 -15.135 -14.786 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.255 -17.295 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.897 -16.139 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.212 -15.792 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.479 -14.577 -2.016 1.00 0.00 H new ATOM 1458 N HIS A 96 -18.365 -14.932 -4.239 1.00 0.00 N ATOM 1459 CA HIS A 96 -19.747 -14.682 -4.632 1.00 0.00 C ATOM 1460 C HIS A 96 -19.907 -14.775 -6.146 1.00 0.00 C ATOM 1461 O HIS A 96 -18.940 -15.015 -6.869 1.00 0.00 O ATOM 1462 CB HIS A 96 -20.195 -13.303 -4.145 1.00 0.00 C ATOM 1463 CG HIS A 96 -21.259 -13.356 -3.092 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -22.301 -12.455 -3.029 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -21.441 -14.211 -2.059 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -23.076 -12.753 -2.001 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -22.576 -13.815 -1.396 1.00 0.00 N ATOM 0 H HIS A 96 -17.739 -14.138 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.374 -15.445 -4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -19.331 -12.768 -3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -20.565 -12.729 -4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -20.810 -15.050 -1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -23.967 -12.219 -1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -22.969 -14.267 -0.571 1.00 0.00 H new ATOM 1475 N SER A 97 -21.136 -14.588 -6.619 1.00 0.00 N ATOM 1476 CA SER A 97 -21.423 -14.657 -8.047 1.00 0.00 C ATOM 1477 C SER A 97 -21.411 -13.265 -8.671 1.00 0.00 C ATOM 1478 O SER A 97 -22.386 -12.520 -8.572 1.00 0.00 O ATOM 1479 CB SER A 97 -22.780 -15.323 -8.283 1.00 0.00 C ATOM 1480 OG SER A 97 -22.743 -16.695 -7.931 1.00 0.00 O ATOM 0 H SER A 97 -21.948 -14.388 -6.035 1.00 0.00 H new ATOM 0 HA SER A 97 -20.645 -15.255 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.545 -14.814 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.061 -15.221 -9.331 1.00 0.00 H new ATOM 0 HG SER A 97 -23.623 -17.097 -8.089 1.00 0.00 H new ATOM 1486 N ALA A 98 -20.300 -12.921 -9.314 1.00 0.00 N ATOM 1487 CA ALA A 98 -20.161 -11.619 -9.956 1.00 0.00 C ATOM 1488 C ALA A 98 -20.351 -11.729 -11.466 1.00 0.00 C ATOM 1489 O ALA A 98 -20.815 -10.791 -12.112 1.00 0.00 O ATOM 1490 CB ALA A 98 -18.802 -11.016 -9.636 1.00 0.00 C ATOM 0 H ALA A 98 -19.483 -13.525 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 98 -20.939 -10.963 -9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -18.712 -10.044 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.703 -10.893 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.016 -11.678 -9.999 1.00 0.00 H new ATOM 1496 N SER A 99 -19.986 -12.881 -12.020 1.00 0.00 N ATOM 1497 CA SER A 99 -20.113 -13.112 -13.455 1.00 0.00 C ATOM 1498 C SER A 99 -19.358 -12.047 -14.245 1.00 0.00 C ATOM 1499 O SER A 99 -19.938 -11.056 -14.685 1.00 0.00 O ATOM 1500 CB SER A 99 -21.587 -13.117 -13.865 1.00 0.00 C ATOM 1501 OG SER A 99 -22.329 -14.042 -13.088 1.00 0.00 O ATOM 0 H SER A 99 -19.600 -13.668 -11.498 1.00 0.00 H new ATOM 0 HA SER A 99 -19.678 -14.085 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 99 -22.005 -12.118 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 99 -21.673 -13.373 -14.921 1.00 0.00 H new ATOM 0 HG SER A 99 -23.268 -14.025 -13.368 1.00 0.00 H new ATOM 1507 N GLY A 100 -18.057 -12.261 -14.421 1.00 0.00 N ATOM 1508 CA GLY A 100 -17.243 -11.312 -15.157 1.00 0.00 C ATOM 1509 C GLY A 100 -15.933 -11.913 -15.625 1.00 0.00 C ATOM 1510 O GLY A 100 -15.416 -12.864 -15.038 1.00 0.00 O ATOM 0 H GLY A 100 -17.553 -13.074 -14.067 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.802 -10.951 -16.020 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -17.038 -10.448 -14.526 1.00 0.00 H new ATOM 1514 N PRO A 101 -15.374 -11.354 -16.709 1.00 0.00 N ATOM 1515 CA PRO A 101 -14.109 -11.827 -17.281 1.00 0.00 C ATOM 1516 C PRO A 101 -12.916 -11.515 -16.385 1.00 0.00 C ATOM 1517 O PRO A 101 -12.854 -10.454 -15.764 1.00 0.00 O ATOM 1518 CB PRO A 101 -14.006 -11.054 -18.599 1.00 0.00 C ATOM 1519 CG PRO A 101 -14.812 -9.822 -18.379 1.00 0.00 C ATOM 1520 CD PRO A 101 -15.935 -10.218 -17.461 1.00 0.00 C ATOM 0 HA PRO A 101 -14.096 -12.910 -17.404 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.970 -10.812 -18.836 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.396 -11.639 -19.432 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.205 -9.033 -17.935 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.197 -9.435 -19.322 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.221 -9.400 -16.800 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.827 -10.505 -18.018 1.00 0.00 H new ATOM 1528 N SER A 102 -11.969 -12.446 -16.322 1.00 0.00 N ATOM 1529 CA SER A 102 -10.779 -12.272 -15.499 1.00 0.00 C ATOM 1530 C SER A 102 -9.773 -11.353 -16.186 1.00 0.00 C ATOM 1531 O SER A 102 -9.889 -11.070 -17.378 1.00 0.00 O ATOM 1532 CB SER A 102 -10.131 -13.626 -15.206 1.00 0.00 C ATOM 1533 OG SER A 102 -9.783 -14.294 -16.406 1.00 0.00 O ATOM 0 H SER A 102 -12.003 -13.329 -16.832 1.00 0.00 H new ATOM 0 HA SER A 102 -11.083 -11.812 -14.559 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.240 -13.482 -14.595 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.818 -14.244 -14.628 1.00 0.00 H new ATOM 0 HG SER A 102 -9.369 -15.156 -16.192 1.00 0.00 H new ATOM 1539 N SER A 103 -8.788 -10.890 -15.424 1.00 0.00 N ATOM 1540 CA SER A 103 -7.763 -10.000 -15.957 1.00 0.00 C ATOM 1541 C SER A 103 -6.394 -10.335 -15.373 1.00 0.00 C ATOM 1542 O SER A 103 -5.420 -10.509 -16.103 1.00 0.00 O ATOM 1543 CB SER A 103 -8.116 -8.542 -15.656 1.00 0.00 C ATOM 1544 OG SER A 103 -9.108 -8.063 -16.547 1.00 0.00 O ATOM 0 H SER A 103 -8.678 -11.116 -14.436 1.00 0.00 H new ATOM 0 HA SER A 103 -7.722 -10.141 -17.037 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.472 -8.455 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.222 -7.924 -15.736 1.00 0.00 H new ATOM 0 HG SER A 103 -9.506 -8.817 -17.030 1.00 0.00 H new ATOM 1550 N GLY A 104 -6.330 -10.422 -14.047 1.00 0.00 N ATOM 1551 CA GLY A 104 -5.076 -10.736 -13.385 1.00 0.00 C ATOM 1552 C GLY A 104 -5.268 -11.104 -11.927 1.00 0.00 C ATOM 1553 O GLY A 104 -5.352 -10.229 -11.065 1.00 0.00 O ATOM 0 H GLY A 104 -7.122 -10.281 -13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.591 -11.562 -13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.407 -9.879 -13.455 1.00 0.00 H new TER 1557 GLY A 104