USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 12 ASN : amide:sc= -1.45! K(o=-1.4!,f=-2.5) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.955 USER MOD Single : A 18 GLN : amide:sc= -2.77 K(o=-2.8,f=-0.61) USER MOD Single : A 20 SER OG : rot -26:sc= 0.477! USER MOD Single : A 23 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.56) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -14:sc= 0.0293 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -58:sc= -0.564! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 15:sc= 0.147 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= -0.262 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 70 GLN : amide:sc= -0.212 K(o=-0.21,f=-3.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.455 K(o=-0.45,f=0.093) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.496 (180deg=-0.943) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.022) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.308 8.293 1.305 1.00 0.00 N ATOM 2 CA GLY A 1 -13.086 9.324 2.303 1.00 0.00 C ATOM 3 C GLY A 1 -11.616 9.644 2.488 1.00 0.00 C ATOM 4 O GLY A 1 -10.814 8.759 2.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.328 8.110 1.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.931 8.610 0.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.824 7.419 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.618 10.229 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.507 9.001 3.255 1.00 0.00 H new ATOM 8 N SER A 2 -11.261 10.912 2.308 1.00 0.00 N ATOM 9 CA SER A 2 -9.876 11.346 2.452 1.00 0.00 C ATOM 10 C SER A 2 -9.806 12.759 3.022 1.00 0.00 C ATOM 11 O SER A 2 -10.167 13.728 2.354 1.00 0.00 O ATOM 12 CB SER A 2 -9.160 11.292 1.101 1.00 0.00 C ATOM 13 OG SER A 2 -7.755 11.376 1.265 1.00 0.00 O ATOM 0 H SER A 2 -11.913 11.657 2.062 1.00 0.00 H new ATOM 0 HA SER A 2 -9.379 10.668 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.415 10.365 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.505 12.111 0.470 1.00 0.00 H new ATOM 0 HG SER A 2 -7.320 11.338 0.388 1.00 0.00 H new ATOM 19 N SER A 3 -9.339 12.868 4.261 1.00 0.00 N ATOM 20 CA SER A 3 -9.225 14.163 4.924 1.00 0.00 C ATOM 21 C SER A 3 -8.126 14.137 5.981 1.00 0.00 C ATOM 22 O SER A 3 -7.604 13.076 6.325 1.00 0.00 O ATOM 23 CB SER A 3 -10.558 14.549 5.567 1.00 0.00 C ATOM 24 OG SER A 3 -10.873 15.907 5.312 1.00 0.00 O ATOM 0 H SER A 3 -9.033 12.076 4.827 1.00 0.00 H new ATOM 0 HA SER A 3 -8.964 14.907 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.351 13.910 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.509 14.380 6.643 1.00 0.00 H new ATOM 0 HG SER A 3 -11.730 16.128 5.732 1.00 0.00 H new ATOM 30 N GLY A 4 -7.779 15.313 6.496 1.00 0.00 N ATOM 31 CA GLY A 4 -6.743 15.403 7.509 1.00 0.00 C ATOM 32 C GLY A 4 -6.102 16.775 7.560 1.00 0.00 C ATOM 33 O GLY A 4 -6.600 17.676 8.236 1.00 0.00 O ATOM 0 H GLY A 4 -8.197 16.205 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.171 15.168 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.977 14.654 7.308 1.00 0.00 H new ATOM 37 N SER A 5 -4.992 16.935 6.846 1.00 0.00 N ATOM 38 CA SER A 5 -4.277 18.206 6.818 1.00 0.00 C ATOM 39 C SER A 5 -3.604 18.481 8.159 1.00 0.00 C ATOM 40 O SER A 5 -4.143 19.199 9.001 1.00 0.00 O ATOM 41 CB SER A 5 -5.237 19.346 6.472 1.00 0.00 C ATOM 42 OG SER A 5 -4.898 19.940 5.231 1.00 0.00 O ATOM 0 H SER A 5 -4.568 16.200 6.279 1.00 0.00 H new ATOM 0 HA SER A 5 -3.505 18.144 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.258 18.966 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.210 20.100 7.259 1.00 0.00 H new ATOM 0 HG SER A 5 -5.528 20.664 5.032 1.00 0.00 H new ATOM 48 N SER A 6 -2.422 17.903 8.350 1.00 0.00 N ATOM 49 CA SER A 6 -1.676 18.082 9.590 1.00 0.00 C ATOM 50 C SER A 6 -0.174 17.997 9.337 1.00 0.00 C ATOM 51 O SER A 6 0.264 17.539 8.283 1.00 0.00 O ATOM 52 CB SER A 6 -2.093 17.028 10.618 1.00 0.00 C ATOM 53 OG SER A 6 -2.875 17.603 11.650 1.00 0.00 O ATOM 0 H SER A 6 -1.961 17.307 7.662 1.00 0.00 H new ATOM 0 HA SER A 6 -1.905 19.072 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.660 16.239 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.205 16.562 11.047 1.00 0.00 H new ATOM 0 HG SER A 6 -3.130 16.909 12.293 1.00 0.00 H new ATOM 59 N GLY A 7 0.610 18.441 10.314 1.00 0.00 N ATOM 60 CA GLY A 7 2.055 18.408 10.180 1.00 0.00 C ATOM 61 C GLY A 7 2.621 19.718 9.670 1.00 0.00 C ATOM 62 O GLY A 7 1.947 20.453 8.946 1.00 0.00 O ATOM 0 H GLY A 7 0.270 18.823 11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.501 18.175 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.335 17.605 9.498 1.00 0.00 H new ATOM 66 N ILE A 8 3.860 20.013 10.048 1.00 0.00 N ATOM 67 CA ILE A 8 4.515 21.244 9.626 1.00 0.00 C ATOM 68 C ILE A 8 5.758 20.948 8.792 1.00 0.00 C ATOM 69 O ILE A 8 6.368 19.885 8.924 1.00 0.00 O ATOM 70 CB ILE A 8 4.915 22.113 10.833 1.00 0.00 C ATOM 71 CG1 ILE A 8 5.862 21.340 11.753 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.678 22.564 11.594 1.00 0.00 C ATOM 73 CD1 ILE A 8 6.771 22.230 12.571 1.00 0.00 C ATOM 0 H ILE A 8 4.431 19.416 10.646 1.00 0.00 H new ATOM 0 HA ILE A 8 3.794 21.792 9.018 1.00 0.00 H new ATOM 0 HB ILE A 8 5.435 22.999 10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.273 20.718 12.427 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.472 20.667 11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.977 23.177 12.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.037 23.148 10.933 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.132 21.691 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.414 21.614 13.199 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.386 22.833 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.169 22.885 13.200 1.00 0.00 H new ATOM 85 N LEU A 9 6.128 21.893 7.936 1.00 0.00 N ATOM 86 CA LEU A 9 7.301 21.734 7.082 1.00 0.00 C ATOM 87 C LEU A 9 7.840 23.091 6.640 1.00 0.00 C ATOM 88 O LEU A 9 7.232 24.129 6.903 1.00 0.00 O ATOM 89 CB LEU A 9 6.952 20.887 5.857 1.00 0.00 C ATOM 90 CG LEU A 9 5.550 21.085 5.281 1.00 0.00 C ATOM 91 CD1 LEU A 9 5.398 20.323 3.974 1.00 0.00 C ATOM 92 CD2 LEU A 9 4.494 20.643 6.284 1.00 0.00 C ATOM 0 H LEU A 9 5.634 22.777 7.814 1.00 0.00 H new ATOM 0 HA LEU A 9 8.075 21.227 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.679 21.101 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.069 19.836 6.122 1.00 0.00 H new ATOM 0 HG LEU A 9 5.408 22.146 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.394 20.476 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.131 20.686 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.560 19.260 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.502 20.791 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.634 19.588 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.588 21.233 7.196 1.00 0.00 H new ATOM 104 N THR A 10 8.984 23.076 5.964 1.00 0.00 N ATOM 105 CA THR A 10 9.605 24.303 5.483 1.00 0.00 C ATOM 106 C THR A 10 9.552 24.388 3.962 1.00 0.00 C ATOM 107 O THR A 10 8.841 25.223 3.404 1.00 0.00 O ATOM 108 CB THR A 10 11.072 24.408 5.941 1.00 0.00 C ATOM 109 OG1 THR A 10 11.625 23.099 6.117 1.00 0.00 O ATOM 110 CG2 THR A 10 11.179 25.187 7.244 1.00 0.00 C ATOM 0 H THR A 10 9.500 22.226 5.737 1.00 0.00 H new ATOM 0 HA THR A 10 9.039 25.131 5.910 1.00 0.00 H new ATOM 0 HB THR A 10 11.632 24.939 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.558 23.174 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.224 25.248 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.784 26.193 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.605 24.679 8.020 1.00 0.00 H new ATOM 118 N GLU A 11 10.307 23.518 3.299 1.00 0.00 N ATOM 119 CA GLU A 11 10.345 23.497 1.842 1.00 0.00 C ATOM 120 C GLU A 11 10.037 22.100 1.310 1.00 0.00 C ATOM 121 O GLU A 11 9.570 21.942 0.183 1.00 0.00 O ATOM 122 CB GLU A 11 11.715 23.954 1.338 1.00 0.00 C ATOM 123 CG GLU A 11 12.792 22.887 1.448 1.00 0.00 C ATOM 124 CD GLU A 11 14.127 23.347 0.894 1.00 0.00 C ATOM 125 OE1 GLU A 11 14.758 24.224 1.521 1.00 0.00 O ATOM 126 OE2 GLU A 11 14.540 22.830 -0.165 1.00 0.00 O ATOM 0 H GLU A 11 10.900 22.819 3.747 1.00 0.00 H new ATOM 0 HA GLU A 11 9.583 24.184 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.625 24.261 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.026 24.832 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.914 22.606 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.469 21.994 0.913 1.00 0.00 H new ATOM 133 N ASN A 12 10.302 21.089 2.132 1.00 0.00 N ATOM 134 CA ASN A 12 10.053 19.705 1.745 1.00 0.00 C ATOM 135 C ASN A 12 10.520 18.744 2.834 1.00 0.00 C ATOM 136 O ASN A 12 10.921 17.614 2.552 1.00 0.00 O ATOM 137 CB ASN A 12 10.765 19.386 0.430 1.00 0.00 C ATOM 138 CG ASN A 12 9.794 19.112 -0.702 1.00 0.00 C ATOM 139 OD1 ASN A 12 10.046 18.268 -1.562 1.00 0.00 O ATOM 140 ND2 ASN A 12 8.675 19.827 -0.707 1.00 0.00 N ATOM 0 H ASN A 12 10.689 21.202 3.069 1.00 0.00 H new ATOM 0 HA ASN A 12 8.979 19.579 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.410 20.221 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.409 18.518 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.984 19.687 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.507 20.516 0.026 1.00 0.00 H new ATOM 147 N THR A 13 10.464 19.200 4.082 1.00 0.00 N ATOM 148 CA THR A 13 10.880 18.382 5.214 1.00 0.00 C ATOM 149 C THR A 13 10.456 16.930 5.029 1.00 0.00 C ATOM 150 O THR A 13 9.368 16.635 4.534 1.00 0.00 O ATOM 151 CB THR A 13 10.295 18.912 6.536 1.00 0.00 C ATOM 152 OG1 THR A 13 11.142 18.544 7.630 1.00 0.00 O ATOM 153 CG2 THR A 13 8.894 18.364 6.766 1.00 0.00 C ATOM 0 H THR A 13 10.134 20.132 4.334 1.00 0.00 H new ATOM 0 HA THR A 13 11.968 18.436 5.260 1.00 0.00 H new ATOM 0 HB THR A 13 10.237 19.999 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.763 18.887 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.501 18.752 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.244 18.671 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.932 17.276 6.811 1.00 0.00 H new ATOM 161 N PRO A 14 11.332 15.999 5.437 1.00 0.00 N ATOM 162 CA PRO A 14 11.067 14.562 5.328 1.00 0.00 C ATOM 163 C PRO A 14 9.978 14.098 6.288 1.00 0.00 C ATOM 164 O PRO A 14 9.646 14.792 7.249 1.00 0.00 O ATOM 165 CB PRO A 14 12.410 13.926 5.695 1.00 0.00 C ATOM 166 CG PRO A 14 13.087 14.937 6.553 1.00 0.00 C ATOM 167 CD PRO A 14 12.647 16.279 6.037 1.00 0.00 C ATOM 0 HA PRO A 14 10.706 14.288 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.270 12.985 6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.999 13.704 4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.808 14.811 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.171 14.834 6.497 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.575 17.014 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.347 16.677 5.303 1.00 0.00 H new ATOM 175 N VAL A 15 9.424 12.918 6.024 1.00 0.00 N ATOM 176 CA VAL A 15 8.373 12.361 6.865 1.00 0.00 C ATOM 177 C VAL A 15 8.464 10.840 6.923 1.00 0.00 C ATOM 178 O VAL A 15 8.975 10.202 6.003 1.00 0.00 O ATOM 179 CB VAL A 15 6.976 12.762 6.358 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.978 12.794 7.506 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.031 14.109 5.652 1.00 0.00 C ATOM 0 H VAL A 15 9.687 12.330 5.233 1.00 0.00 H new ATOM 0 HA VAL A 15 8.519 12.769 7.865 1.00 0.00 H new ATOM 0 HB VAL A 15 6.642 12.013 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.997 13.080 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.917 11.806 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.304 13.519 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.035 14.376 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.387 14.870 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.711 14.047 4.802 1.00 0.00 H new ATOM 191 N PHE A 16 7.963 10.264 8.011 1.00 0.00 N ATOM 192 CA PHE A 16 7.987 8.817 8.190 1.00 0.00 C ATOM 193 C PHE A 16 6.657 8.315 8.741 1.00 0.00 C ATOM 194 O PHE A 16 6.274 8.645 9.864 1.00 0.00 O ATOM 195 CB PHE A 16 9.126 8.417 9.131 1.00 0.00 C ATOM 196 CG PHE A 16 9.977 7.298 8.601 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.416 6.068 8.300 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.336 7.477 8.403 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.197 5.036 7.812 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.122 6.450 7.916 1.00 0.00 C ATOM 201 CZ PHE A 16 11.551 5.228 7.619 1.00 0.00 C ATOM 0 H PHE A 16 7.536 10.777 8.782 1.00 0.00 H new ATOM 0 HA PHE A 16 8.152 8.358 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.757 9.287 9.315 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.705 8.119 10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.357 5.913 8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.787 8.431 8.632 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.748 4.081 7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.181 6.603 7.768 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.162 4.424 7.236 1.00 0.00 H new ATOM 211 N GLU A 17 5.957 7.513 7.944 1.00 0.00 N ATOM 212 CA GLU A 17 4.668 6.967 8.353 1.00 0.00 C ATOM 213 C GLU A 17 4.668 5.444 8.257 1.00 0.00 C ATOM 214 O GLU A 17 5.353 4.866 7.414 1.00 0.00 O ATOM 215 CB GLU A 17 3.547 7.543 7.487 1.00 0.00 C ATOM 216 CG GLU A 17 2.283 7.871 8.265 1.00 0.00 C ATOM 217 CD GLU A 17 2.278 9.290 8.798 1.00 0.00 C ATOM 218 OE1 GLU A 17 1.928 10.211 8.029 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.624 9.480 9.983 1.00 0.00 O ATOM 0 H GLU A 17 6.260 7.227 7.013 1.00 0.00 H new ATOM 0 HA GLU A 17 4.496 7.249 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.907 8.448 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.304 6.829 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.416 7.726 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.182 7.174 9.097 1.00 0.00 H new ATOM 226 N GLN A 18 3.896 4.802 9.127 1.00 0.00 N ATOM 227 CA GLN A 18 3.808 3.346 9.141 1.00 0.00 C ATOM 228 C GLN A 18 2.387 2.883 8.837 1.00 0.00 C ATOM 229 O GLN A 18 1.420 3.417 9.382 1.00 0.00 O ATOM 230 CB GLN A 18 4.256 2.800 10.498 1.00 0.00 C ATOM 231 CG GLN A 18 5.675 2.257 10.498 1.00 0.00 C ATOM 232 CD GLN A 18 5.852 1.082 11.439 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.456 1.140 12.604 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.447 0.007 10.938 1.00 0.00 N ATOM 0 H GLN A 18 3.323 5.266 9.831 1.00 0.00 H new ATOM 0 HA GLN A 18 4.470 2.960 8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.179 3.593 11.242 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.573 2.008 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.942 1.951 9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.364 3.052 10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.759 0.003 9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.592 -0.815 11.524 1.00 0.00 H new ATOM 243 N LEU A 19 2.268 1.889 7.964 1.00 0.00 N ATOM 244 CA LEU A 19 0.964 1.355 7.587 1.00 0.00 C ATOM 245 C LEU A 19 0.939 -0.165 7.720 1.00 0.00 C ATOM 246 O LEU A 19 1.696 -0.868 7.052 1.00 0.00 O ATOM 247 CB LEU A 19 0.622 1.758 6.152 1.00 0.00 C ATOM 248 CG LEU A 19 -0.606 2.653 5.981 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.403 3.980 6.694 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.901 2.878 4.505 1.00 0.00 C ATOM 0 H LEU A 19 3.058 1.437 7.504 1.00 0.00 H new ATOM 0 HA LEU A 19 0.218 1.773 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.483 2.272 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.470 0.851 5.567 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.463 2.151 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.287 4.603 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.242 3.801 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.466 4.489 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.778 3.517 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.045 3.359 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.092 1.920 4.022 1.00 0.00 H new ATOM 262 N SER A 20 0.064 -0.663 8.587 1.00 0.00 N ATOM 263 CA SER A 20 -0.059 -2.099 8.809 1.00 0.00 C ATOM 264 C SER A 20 -1.074 -2.713 7.849 1.00 0.00 C ATOM 265 O SER A 20 -2.240 -2.320 7.826 1.00 0.00 O ATOM 266 CB SER A 20 -0.473 -2.379 10.254 1.00 0.00 C ATOM 267 OG SER A 20 -1.853 -2.699 10.337 1.00 0.00 O ATOM 0 H SER A 20 -0.570 -0.094 9.147 1.00 0.00 H new ATOM 0 HA SER A 20 0.913 -2.555 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.119 -3.203 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.261 -1.506 10.872 1.00 0.00 H new ATOM 0 HG SER A 20 -2.330 -2.288 9.586 1.00 0.00 H new ATOM 273 N VAL A 21 -0.620 -3.679 7.057 1.00 0.00 N ATOM 274 CA VAL A 21 -1.487 -4.349 6.094 1.00 0.00 C ATOM 275 C VAL A 21 -1.495 -5.856 6.319 1.00 0.00 C ATOM 276 O VAL A 21 -0.530 -6.442 6.810 1.00 0.00 O ATOM 277 CB VAL A 21 -1.048 -4.058 4.647 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.638 -2.602 4.495 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.086 -4.986 4.238 1.00 0.00 C ATOM 0 H VAL A 21 0.343 -4.015 7.063 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.493 -3.957 6.246 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.894 -4.242 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.331 -2.416 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.482 -1.958 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.193 -2.386 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.384 -4.767 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.937 -4.836 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.249 -6.021 4.305 1.00 0.00 H new ATOM 289 N PRO A 22 -2.612 -6.503 5.951 1.00 0.00 N ATOM 290 CA PRO A 22 -2.773 -7.952 6.102 1.00 0.00 C ATOM 291 C PRO A 22 -1.884 -8.737 5.143 1.00 0.00 C ATOM 292 O PRO A 22 -1.546 -8.256 4.062 1.00 0.00 O ATOM 293 CB PRO A 22 -4.250 -8.182 5.772 1.00 0.00 C ATOM 294 CG PRO A 22 -4.621 -7.039 4.890 1.00 0.00 C ATOM 295 CD PRO A 22 -3.802 -5.871 5.359 1.00 0.00 C ATOM 0 HA PRO A 22 -2.487 -8.292 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.399 -9.137 5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.860 -8.200 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.411 -7.268 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.687 -6.822 4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.537 -5.209 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.342 -5.269 6.090 1.00 0.00 H new ATOM 303 N GLN A 23 -1.510 -9.947 5.546 1.00 0.00 N ATOM 304 CA GLN A 23 -0.661 -10.798 4.721 1.00 0.00 C ATOM 305 C GLN A 23 -1.448 -11.386 3.553 1.00 0.00 C ATOM 306 O GLN A 23 -0.876 -12.000 2.653 1.00 0.00 O ATOM 307 CB GLN A 23 -0.059 -11.924 5.563 1.00 0.00 C ATOM 308 CG GLN A 23 -1.046 -13.032 5.893 1.00 0.00 C ATOM 309 CD GLN A 23 -0.451 -14.415 5.721 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.044 -15.284 5.080 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.728 -14.628 6.294 1.00 0.00 N ATOM 0 H GLN A 23 -1.781 -10.360 6.438 1.00 0.00 H new ATOM 0 HA GLN A 23 0.144 -10.183 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.789 -12.352 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.328 -11.505 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.389 -12.914 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.922 -12.935 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.184 -13.880 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.177 -15.540 6.212 1.00 0.00 H new ATOM 320 N ARG A 24 -2.763 -11.192 3.575 1.00 0.00 N ATOM 321 CA ARG A 24 -3.627 -11.704 2.520 1.00 0.00 C ATOM 322 C ARG A 24 -3.653 -10.751 1.328 1.00 0.00 C ATOM 323 O ARG A 24 -3.703 -11.182 0.177 1.00 0.00 O ATOM 324 CB ARG A 24 -5.047 -11.913 3.051 1.00 0.00 C ATOM 325 CG ARG A 24 -5.581 -10.730 3.844 1.00 0.00 C ATOM 326 CD ARG A 24 -7.079 -10.564 3.654 1.00 0.00 C ATOM 327 NE ARG A 24 -7.783 -10.446 4.929 1.00 0.00 N ATOM 328 CZ ARG A 24 -7.843 -11.423 5.827 1.00 0.00 C ATOM 329 NH1 ARG A 24 -7.246 -12.583 5.591 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.503 -11.240 6.964 1.00 0.00 N ATOM 0 H ARG A 24 -3.252 -10.684 4.312 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.226 -12.662 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.715 -12.108 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.062 -12.800 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.361 -10.871 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.070 -9.820 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.272 -9.677 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.471 -11.418 3.101 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.254 -9.566 5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.739 -12.727 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.294 -13.331 6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.964 -10.349 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.549 -11.990 7.653 1.00 0.00 H new ATOM 344 N SER A 25 -3.620 -9.453 1.614 1.00 0.00 N ATOM 345 CA SER A 25 -3.644 -8.439 0.567 1.00 0.00 C ATOM 346 C SER A 25 -2.232 -7.972 0.230 1.00 0.00 C ATOM 347 O SER A 25 -2.018 -7.261 -0.753 1.00 0.00 O ATOM 348 CB SER A 25 -4.499 -7.246 1.002 1.00 0.00 C ATOM 349 OG SER A 25 -5.765 -7.671 1.476 1.00 0.00 O ATOM 0 H SER A 25 -3.577 -9.079 2.562 1.00 0.00 H new ATOM 0 HA SER A 25 -4.083 -8.885 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.982 -6.690 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.632 -6.564 0.162 1.00 0.00 H new ATOM 0 HG SER A 25 -6.291 -6.890 1.749 1.00 0.00 H new ATOM 355 N VAL A 26 -1.269 -8.375 1.053 1.00 0.00 N ATOM 356 CA VAL A 26 0.124 -8.000 0.844 1.00 0.00 C ATOM 357 C VAL A 26 0.624 -8.482 -0.512 1.00 0.00 C ATOM 358 O VAL A 26 1.457 -7.835 -1.145 1.00 0.00 O ATOM 359 CB VAL A 26 1.031 -8.573 1.948 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.325 -10.044 1.689 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.322 -7.773 2.045 1.00 0.00 C ATOM 0 H VAL A 26 -1.429 -8.962 1.872 1.00 0.00 H new ATOM 0 HA VAL A 26 0.168 -6.911 0.878 1.00 0.00 H new ATOM 0 HB VAL A 26 0.508 -8.494 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.967 -10.431 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.390 -10.605 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.828 -10.151 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.951 -8.192 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.851 -7.819 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.090 -6.735 2.281 1.00 0.00 H new ATOM 371 N GLY A 27 0.111 -9.627 -0.953 1.00 0.00 N ATOM 372 CA GLY A 27 0.518 -10.178 -2.233 1.00 0.00 C ATOM 373 C GLY A 27 0.086 -9.314 -3.401 1.00 0.00 C ATOM 374 O GLY A 27 0.651 -9.402 -4.491 1.00 0.00 O ATOM 0 H GLY A 27 -0.579 -10.183 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.602 -10.289 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.094 -11.176 -2.347 1.00 0.00 H new ATOM 378 N ARG A 28 -0.920 -8.475 -3.174 1.00 0.00 N ATOM 379 CA ARG A 28 -1.429 -7.592 -4.216 1.00 0.00 C ATOM 380 C ARG A 28 -0.794 -6.208 -4.115 1.00 0.00 C ATOM 381 O ARG A 28 -0.617 -5.521 -5.121 1.00 0.00 O ATOM 382 CB ARG A 28 -2.951 -7.476 -4.117 1.00 0.00 C ATOM 383 CG ARG A 28 -3.600 -6.897 -5.364 1.00 0.00 C ATOM 384 CD ARG A 28 -4.248 -7.982 -6.210 1.00 0.00 C ATOM 385 NE ARG A 28 -3.458 -8.295 -7.397 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.451 -9.162 -7.402 1.00 0.00 C ATOM 387 NH1 ARG A 28 -2.114 -9.798 -6.289 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.780 -9.393 -8.523 1.00 0.00 N ATOM 0 H ARG A 28 -1.398 -8.389 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.167 -8.023 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.370 -8.463 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.204 -6.850 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.351 -6.161 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.850 -6.372 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.373 -8.883 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.244 -7.659 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.692 -7.822 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.628 -9.622 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.341 -10.463 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.037 -8.905 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.007 -10.059 -8.527 1.00 0.00 H new ATOM 402 N ILE A 29 -0.456 -5.805 -2.895 1.00 0.00 N ATOM 403 CA ILE A 29 0.159 -4.504 -2.663 1.00 0.00 C ATOM 404 C ILE A 29 1.641 -4.526 -3.022 1.00 0.00 C ATOM 405 O ILE A 29 2.111 -3.699 -3.804 1.00 0.00 O ATOM 406 CB ILE A 29 0.004 -4.063 -1.196 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.463 -4.144 -0.767 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.538 -2.651 -1.009 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.648 -4.357 0.718 1.00 0.00 C ATOM 0 H ILE A 29 -0.598 -6.361 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.358 -3.790 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 29 0.584 -4.738 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.970 -3.224 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.946 -4.959 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.422 -2.353 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.594 -2.623 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.018 -1.964 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.712 -4.404 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.171 -5.291 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.195 -3.529 1.264 1.00 0.00 H new ATOM 421 N ILE A 30 2.370 -5.476 -2.448 1.00 0.00 N ATOM 422 CA ILE A 30 3.798 -5.605 -2.710 1.00 0.00 C ATOM 423 C ILE A 30 4.056 -6.037 -4.149 1.00 0.00 C ATOM 424 O ILE A 30 4.955 -5.519 -4.812 1.00 0.00 O ATOM 425 CB ILE A 30 4.456 -6.621 -1.756 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.602 -6.019 -0.356 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.810 -7.054 -2.296 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.552 -6.787 0.535 1.00 0.00 C ATOM 0 H ILE A 30 1.996 -6.168 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 30 4.239 -4.622 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 30 3.816 -7.501 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.952 -4.991 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.622 -5.981 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.262 -7.771 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.680 -7.518 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.459 -6.184 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.607 -6.304 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.192 -7.809 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.543 -6.803 0.082 1.00 0.00 H new ATOM 440 N GLY A 31 3.259 -6.987 -4.628 1.00 0.00 N ATOM 441 CA GLY A 31 3.416 -7.471 -5.988 1.00 0.00 C ATOM 442 C GLY A 31 4.488 -8.535 -6.105 1.00 0.00 C ATOM 443 O GLY A 31 5.176 -8.841 -5.130 1.00 0.00 O ATOM 0 H GLY A 31 2.508 -7.430 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.467 -7.876 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.666 -6.635 -6.641 1.00 0.00 H new ATOM 447 N ARG A 32 4.631 -9.101 -7.299 1.00 0.00 N ATOM 448 CA ARG A 32 5.625 -10.140 -7.537 1.00 0.00 C ATOM 449 C ARG A 32 7.013 -9.671 -7.113 1.00 0.00 C ATOM 450 O ARG A 32 7.634 -8.847 -7.783 1.00 0.00 O ATOM 451 CB ARG A 32 5.638 -10.533 -9.016 1.00 0.00 C ATOM 452 CG ARG A 32 5.506 -12.029 -9.249 1.00 0.00 C ATOM 453 CD ARG A 32 6.275 -12.470 -10.485 1.00 0.00 C ATOM 454 NE ARG A 32 5.409 -13.114 -11.468 1.00 0.00 N ATOM 455 CZ ARG A 32 5.836 -13.558 -12.645 1.00 0.00 C ATOM 456 NH1 ARG A 32 7.111 -13.427 -12.984 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.987 -14.134 -13.487 1.00 0.00 N ATOM 0 H ARG A 32 4.071 -8.857 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 32 5.355 -11.010 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.822 -10.021 -9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.566 -10.184 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.876 -12.568 -8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.454 -12.289 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.758 -11.605 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.067 -13.160 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 32 4.422 -13.229 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.767 -12.984 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.436 -13.769 -13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.005 -14.236 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.317 -14.474 -14.390 1.00 0.00 H new ATOM 471 N GLY A 33 7.496 -10.203 -5.993 1.00 0.00 N ATOM 472 CA GLY A 33 8.807 -9.827 -5.498 1.00 0.00 C ATOM 473 C GLY A 33 8.929 -8.337 -5.255 1.00 0.00 C ATOM 474 O GLY A 33 10.031 -7.817 -5.082 1.00 0.00 O ATOM 0 H GLY A 33 7.002 -10.888 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.008 -10.361 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.566 -10.138 -6.216 1.00 0.00 H new ATOM 478 N GLY A 34 7.794 -7.645 -5.243 1.00 0.00 N ATOM 479 CA GLY A 34 7.800 -6.210 -5.021 1.00 0.00 C ATOM 480 C GLY A 34 7.502 -5.427 -6.284 1.00 0.00 C ATOM 481 O GLY A 34 7.358 -4.206 -6.244 1.00 0.00 O ATOM 0 H GLY A 34 6.869 -8.052 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.061 -5.960 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.773 -5.910 -4.632 1.00 0.00 H new ATOM 485 N GLU A 35 7.413 -6.131 -7.409 1.00 0.00 N ATOM 486 CA GLU A 35 7.133 -5.492 -8.688 1.00 0.00 C ATOM 487 C GLU A 35 6.096 -4.383 -8.528 1.00 0.00 C ATOM 488 O GLU A 35 6.088 -3.409 -9.282 1.00 0.00 O ATOM 489 CB GLU A 35 6.638 -6.525 -9.703 1.00 0.00 C ATOM 490 CG GLU A 35 5.232 -7.028 -9.422 1.00 0.00 C ATOM 491 CD GLU A 35 4.256 -6.679 -10.531 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.523 -5.708 -11.270 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.228 -7.376 -10.657 1.00 0.00 O ATOM 0 H GLU A 35 7.531 -7.143 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 35 8.060 -5.049 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.665 -6.085 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.323 -7.372 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.256 -8.110 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.878 -6.601 -8.484 1.00 0.00 H new ATOM 500 N THR A 36 5.220 -4.540 -7.540 1.00 0.00 N ATOM 501 CA THR A 36 4.177 -3.554 -7.282 1.00 0.00 C ATOM 502 C THR A 36 4.613 -2.560 -6.211 1.00 0.00 C ATOM 503 O THR A 36 4.216 -1.395 -6.234 1.00 0.00 O ATOM 504 CB THR A 36 2.866 -4.229 -6.835 1.00 0.00 C ATOM 505 OG1 THR A 36 2.395 -5.110 -7.861 1.00 0.00 O ATOM 506 CG2 THR A 36 1.800 -3.188 -6.525 1.00 0.00 C ATOM 0 H THR A 36 5.212 -5.339 -6.906 1.00 0.00 H new ATOM 0 HA THR A 36 4.004 -3.023 -8.218 1.00 0.00 H new ATOM 0 HB THR A 36 3.067 -4.801 -5.929 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.562 -5.537 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.884 -3.688 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.150 -2.536 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.602 -2.593 -7.417 1.00 0.00 H new ATOM 514 N ILE A 37 5.432 -3.028 -5.274 1.00 0.00 N ATOM 515 CA ILE A 37 5.923 -2.178 -4.197 1.00 0.00 C ATOM 516 C ILE A 37 6.933 -1.160 -4.716 1.00 0.00 C ATOM 517 O ILE A 37 7.155 -0.120 -4.096 1.00 0.00 O ATOM 518 CB ILE A 37 6.580 -3.010 -3.078 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.428 -2.302 -1.731 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.047 -3.255 -3.393 1.00 0.00 C ATOM 521 CD1 ILE A 37 4.995 -1.969 -1.381 1.00 0.00 C ATOM 0 H ILE A 37 5.769 -3.990 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 37 5.058 -1.654 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 37 6.076 -3.975 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.847 -2.934 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.013 -1.382 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.497 -3.844 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.131 -3.797 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.566 -2.300 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.964 -1.469 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.578 -1.311 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.409 -2.887 -1.334 1.00 0.00 H new ATOM 533 N ARG A 38 7.538 -1.465 -5.859 1.00 0.00 N ATOM 534 CA ARG A 38 8.523 -0.576 -6.462 1.00 0.00 C ATOM 535 C ARG A 38 7.841 0.503 -7.299 1.00 0.00 C ATOM 536 O ARG A 38 8.263 1.659 -7.302 1.00 0.00 O ATOM 537 CB ARG A 38 9.496 -1.373 -7.333 1.00 0.00 C ATOM 538 CG ARG A 38 10.172 -2.519 -6.598 1.00 0.00 C ATOM 539 CD ARG A 38 11.559 -2.798 -7.156 1.00 0.00 C ATOM 540 NE ARG A 38 12.529 -3.072 -6.100 1.00 0.00 N ATOM 541 CZ ARG A 38 13.665 -3.732 -6.298 1.00 0.00 C ATOM 542 NH1 ARG A 38 13.971 -4.182 -7.507 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.497 -3.942 -5.287 1.00 0.00 N ATOM 0 H ARG A 38 7.363 -2.321 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 38 9.078 -0.092 -5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.958 -1.771 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.261 -0.699 -7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.247 -2.279 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.559 -3.417 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.512 -3.650 -7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.893 -1.942 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 38 12.323 -2.738 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.334 -4.022 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.844 -4.688 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.265 -3.597 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.369 -4.449 -5.441 1.00 0.00 H new ATOM 557 N SER A 39 6.786 0.116 -8.008 1.00 0.00 N ATOM 558 CA SER A 39 6.049 1.048 -8.852 1.00 0.00 C ATOM 559 C SER A 39 5.445 2.175 -8.019 1.00 0.00 C ATOM 560 O SER A 39 5.125 3.244 -8.540 1.00 0.00 O ATOM 561 CB SER A 39 4.944 0.314 -9.614 1.00 0.00 C ATOM 562 OG SER A 39 5.255 0.217 -10.994 1.00 0.00 O ATOM 0 H SER A 39 6.422 -0.837 -8.015 1.00 0.00 H new ATOM 0 HA SER A 39 6.748 1.482 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.811 -0.684 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.998 0.841 -9.487 1.00 0.00 H new ATOM 0 HG SER A 39 4.535 -0.257 -11.459 1.00 0.00 H new ATOM 568 N ILE A 40 5.291 1.927 -6.723 1.00 0.00 N ATOM 569 CA ILE A 40 4.728 2.919 -5.816 1.00 0.00 C ATOM 570 C ILE A 40 5.744 4.010 -5.495 1.00 0.00 C ATOM 571 O ILE A 40 5.503 5.191 -5.750 1.00 0.00 O ATOM 572 CB ILE A 40 4.250 2.275 -4.502 1.00 0.00 C ATOM 573 CG1 ILE A 40 3.193 1.206 -4.787 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.698 3.335 -3.561 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.928 0.289 -3.612 1.00 0.00 C ATOM 0 H ILE A 40 5.549 1.047 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 40 3.872 3.362 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 40 5.102 1.797 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.262 1.695 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.514 0.607 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.364 2.863 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.477 4.063 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.856 3.840 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.168 -0.443 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.848 -0.228 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.576 0.877 -2.764 1.00 0.00 H new ATOM 587 N CYS A 41 6.879 3.607 -4.935 1.00 0.00 N ATOM 588 CA CYS A 41 7.933 4.550 -4.580 1.00 0.00 C ATOM 589 C CYS A 41 8.194 5.529 -5.720 1.00 0.00 C ATOM 590 O CYS A 41 8.525 6.693 -5.490 1.00 0.00 O ATOM 591 CB CYS A 41 9.220 3.801 -4.230 1.00 0.00 C ATOM 592 SG CYS A 41 10.648 4.876 -3.953 1.00 0.00 S ATOM 0 H CYS A 41 7.093 2.634 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 41 7.602 5.115 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.048 3.205 -3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.453 3.105 -5.036 1.00 0.00 H new ATOM 0 HG CYS A 41 10.384 6.071 -4.392 1.00 0.00 H new ATOM 598 N LYS A 42 8.045 5.050 -6.950 1.00 0.00 N ATOM 599 CA LYS A 42 8.264 5.882 -8.128 1.00 0.00 C ATOM 600 C LYS A 42 7.005 6.666 -8.482 1.00 0.00 C ATOM 601 O LYS A 42 7.077 7.735 -9.086 1.00 0.00 O ATOM 602 CB LYS A 42 8.691 5.017 -9.316 1.00 0.00 C ATOM 603 CG LYS A 42 7.570 4.164 -9.881 1.00 0.00 C ATOM 604 CD LYS A 42 7.919 3.624 -11.258 1.00 0.00 C ATOM 605 CE LYS A 42 8.574 2.254 -11.170 1.00 0.00 C ATOM 606 NZ LYS A 42 9.738 2.135 -12.091 1.00 0.00 N ATOM 0 H LYS A 42 7.773 4.089 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 42 9.059 6.591 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.078 5.663 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.510 4.367 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.367 3.334 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.657 4.756 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.015 3.558 -11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.591 4.318 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.901 2.073 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.840 1.485 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.156 1.187 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.422 2.282 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.450 2.852 -11.845 1.00 0.00 H new ATOM 620 N ALA A 43 5.851 6.126 -8.102 1.00 0.00 N ATOM 621 CA ALA A 43 4.576 6.777 -8.377 1.00 0.00 C ATOM 622 C ALA A 43 4.255 7.827 -7.317 1.00 0.00 C ATOM 623 O ALA A 43 3.412 8.698 -7.529 1.00 0.00 O ATOM 624 CB ALA A 43 3.462 5.744 -8.454 1.00 0.00 C ATOM 0 H ALA A 43 5.773 5.240 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 43 4.655 7.283 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.516 6.244 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.679 5.034 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.393 5.212 -7.505 1.00 0.00 H new ATOM 630 N SER A 44 4.933 7.736 -6.178 1.00 0.00 N ATOM 631 CA SER A 44 4.716 8.674 -5.083 1.00 0.00 C ATOM 632 C SER A 44 5.994 9.447 -4.768 1.00 0.00 C ATOM 633 O SER A 44 5.951 10.630 -4.432 1.00 0.00 O ATOM 634 CB SER A 44 4.236 7.932 -3.834 1.00 0.00 C ATOM 635 OG SER A 44 5.056 6.811 -3.560 1.00 0.00 O ATOM 0 H SER A 44 5.637 7.023 -5.989 1.00 0.00 H new ATOM 0 HA SER A 44 3.949 9.384 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.243 8.609 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.205 7.607 -3.974 1.00 0.00 H new ATOM 0 HG SER A 44 5.055 6.208 -4.333 1.00 0.00 H new ATOM 641 N GLY A 45 7.132 8.769 -4.883 1.00 0.00 N ATOM 642 CA GLY A 45 8.406 9.406 -4.608 1.00 0.00 C ATOM 643 C GLY A 45 8.967 9.020 -3.254 1.00 0.00 C ATOM 644 O GLY A 45 10.160 9.181 -3.000 1.00 0.00 O ATOM 0 H GLY A 45 7.194 7.790 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.120 9.133 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.285 10.488 -4.652 1.00 0.00 H new ATOM 648 N ALA A 46 8.104 8.511 -2.380 1.00 0.00 N ATOM 649 CA ALA A 46 8.520 8.102 -1.045 1.00 0.00 C ATOM 650 C ALA A 46 8.956 6.640 -1.031 1.00 0.00 C ATOM 651 O ALA A 46 8.501 5.837 -1.844 1.00 0.00 O ATOM 652 CB ALA A 46 7.393 8.328 -0.048 1.00 0.00 C ATOM 0 H ALA A 46 7.112 8.372 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 46 9.375 8.713 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.718 8.018 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.130 9.386 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.523 7.743 -0.344 1.00 0.00 H new ATOM 658 N LYS A 47 9.842 6.302 -0.100 1.00 0.00 N ATOM 659 CA LYS A 47 10.340 4.937 0.023 1.00 0.00 C ATOM 660 C LYS A 47 9.340 4.057 0.765 1.00 0.00 C ATOM 661 O LYS A 47 8.816 4.443 1.810 1.00 0.00 O ATOM 662 CB LYS A 47 11.685 4.926 0.753 1.00 0.00 C ATOM 663 CG LYS A 47 12.681 3.931 0.181 1.00 0.00 C ATOM 664 CD LYS A 47 12.338 2.507 0.582 1.00 0.00 C ATOM 665 CE LYS A 47 13.554 1.774 1.129 1.00 0.00 C ATOM 666 NZ LYS A 47 14.431 1.266 0.037 1.00 0.00 N ATOM 0 H LYS A 47 10.230 6.955 0.581 1.00 0.00 H new ATOM 0 HA LYS A 47 10.475 4.535 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.119 5.925 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.516 4.694 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.693 4.011 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.684 4.177 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.550 2.520 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.945 1.969 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.125 2.445 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.227 0.940 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.248 0.773 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.894 0.606 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.764 2.064 -0.541 1.00 0.00 H new ATOM 680 N ILE A 48 9.081 2.873 0.219 1.00 0.00 N ATOM 681 CA ILE A 48 8.146 1.938 0.832 1.00 0.00 C ATOM 682 C ILE A 48 8.844 0.642 1.227 1.00 0.00 C ATOM 683 O ILE A 48 9.298 -0.118 0.371 1.00 0.00 O ATOM 684 CB ILE A 48 6.975 1.611 -0.115 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.782 2.738 -1.131 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.699 1.382 0.680 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.216 4.005 -0.527 1.00 0.00 C ATOM 0 H ILE A 48 9.506 2.539 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 48 7.755 2.423 1.726 1.00 0.00 H new ATOM 0 HB ILE A 48 7.211 0.695 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.741 2.964 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.116 2.393 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.881 1.152 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.843 0.548 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.457 2.281 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.106 4.761 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.242 3.794 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.892 4.374 0.244 1.00 0.00 H new ATOM 699 N THR A 49 8.925 0.392 2.530 1.00 0.00 N ATOM 700 CA THR A 49 9.566 -0.813 3.040 1.00 0.00 C ATOM 701 C THR A 49 8.628 -1.591 3.956 1.00 0.00 C ATOM 702 O THR A 49 7.708 -1.022 4.545 1.00 0.00 O ATOM 703 CB THR A 49 10.857 -0.479 3.812 1.00 0.00 C ATOM 704 OG1 THR A 49 11.601 -1.676 4.064 1.00 0.00 O ATOM 705 CG2 THR A 49 10.537 0.212 5.128 1.00 0.00 C ATOM 0 H THR A 49 8.554 1.009 3.252 1.00 0.00 H new ATOM 0 HA THR A 49 9.816 -1.427 2.175 1.00 0.00 H new ATOM 0 HB THR A 49 11.455 0.197 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.421 -1.455 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.464 0.438 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.997 1.138 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.921 -0.444 5.743 1.00 0.00 H new ATOM 713 N CYS A 50 8.866 -2.892 4.071 1.00 0.00 N ATOM 714 CA CYS A 50 8.041 -3.749 4.917 1.00 0.00 C ATOM 715 C CYS A 50 8.790 -4.143 6.185 1.00 0.00 C ATOM 716 O CYS A 50 10.001 -4.359 6.162 1.00 0.00 O ATOM 717 CB CYS A 50 7.618 -5.002 4.149 1.00 0.00 C ATOM 718 SG CYS A 50 8.967 -6.161 3.826 1.00 0.00 S ATOM 0 H CYS A 50 9.623 -3.378 3.590 1.00 0.00 H new ATOM 0 HA CYS A 50 7.151 -3.189 5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.840 -5.515 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.177 -4.701 3.199 1.00 0.00 H new ATOM 0 HG CYS A 50 9.985 -5.862 4.577 1.00 0.00 H new ATOM 724 N ASP A 51 8.060 -4.234 7.292 1.00 0.00 N ATOM 725 CA ASP A 51 8.654 -4.602 8.571 1.00 0.00 C ATOM 726 C ASP A 51 9.760 -5.636 8.380 1.00 0.00 C ATOM 727 O ASP A 51 9.758 -6.390 7.407 1.00 0.00 O ATOM 728 CB ASP A 51 7.584 -5.150 9.517 1.00 0.00 C ATOM 729 CG ASP A 51 6.856 -6.346 8.934 1.00 0.00 C ATOM 730 OD1 ASP A 51 6.739 -6.424 7.693 1.00 0.00 O ATOM 731 OD2 ASP A 51 6.404 -7.205 9.720 1.00 0.00 O ATOM 0 H ASP A 51 7.056 -4.058 7.328 1.00 0.00 H new ATOM 0 HA ASP A 51 9.091 -3.706 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.049 -5.435 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.864 -4.363 9.741 1.00 0.00 H new ATOM 736 N LYS A 52 10.704 -5.663 9.314 1.00 0.00 N ATOM 737 CA LYS A 52 11.817 -6.605 9.249 1.00 0.00 C ATOM 738 C LYS A 52 12.022 -7.298 10.593 1.00 0.00 C ATOM 739 O LYS A 52 12.175 -8.516 10.655 1.00 0.00 O ATOM 740 CB LYS A 52 13.100 -5.882 8.836 1.00 0.00 C ATOM 741 CG LYS A 52 13.279 -4.529 9.504 1.00 0.00 C ATOM 742 CD LYS A 52 14.225 -4.614 10.690 1.00 0.00 C ATOM 743 CE LYS A 52 15.671 -4.421 10.265 1.00 0.00 C ATOM 744 NZ LYS A 52 16.494 -3.818 11.350 1.00 0.00 N ATOM 0 H LYS A 52 10.722 -5.044 10.125 1.00 0.00 H new ATOM 0 HA LYS A 52 11.577 -7.362 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.956 -6.513 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.098 -5.746 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.666 -3.813 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.310 -4.155 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.957 -3.856 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.114 -5.583 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.097 -5.383 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.708 -3.781 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.473 -3.703 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.104 -2.889 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.480 -4.441 12.183 1.00 0.00 H new ATOM 758 N GLU A 53 12.022 -6.511 11.665 1.00 0.00 N ATOM 759 CA GLU A 53 12.208 -7.050 13.007 1.00 0.00 C ATOM 760 C GLU A 53 11.407 -8.336 13.192 1.00 0.00 C ATOM 761 O GLU A 53 11.732 -9.166 14.042 1.00 0.00 O ATOM 762 CB GLU A 53 11.788 -6.020 14.057 1.00 0.00 C ATOM 763 CG GLU A 53 12.837 -4.950 14.313 1.00 0.00 C ATOM 764 CD GLU A 53 13.326 -4.945 15.749 1.00 0.00 C ATOM 765 OE1 GLU A 53 12.550 -4.538 16.638 1.00 0.00 O ATOM 766 OE2 GLU A 53 14.485 -5.347 15.983 1.00 0.00 O ATOM 0 H GLU A 53 11.895 -5.499 11.630 1.00 0.00 H new ATOM 0 HA GLU A 53 13.266 -7.279 13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.864 -5.541 13.735 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.571 -6.535 14.993 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.684 -5.109 13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.420 -3.972 14.072 1.00 0.00 H new ATOM 773 N SER A 54 10.359 -8.495 12.391 1.00 0.00 N ATOM 774 CA SER A 54 9.509 -9.677 12.468 1.00 0.00 C ATOM 775 C SER A 54 9.877 -10.683 11.382 1.00 0.00 C ATOM 776 O SER A 54 10.435 -10.318 10.347 1.00 0.00 O ATOM 777 CB SER A 54 8.037 -9.281 12.335 1.00 0.00 C ATOM 778 OG SER A 54 7.253 -9.885 13.350 1.00 0.00 O ATOM 0 H SER A 54 10.078 -7.819 11.680 1.00 0.00 H new ATOM 0 HA SER A 54 9.666 -10.145 13.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.942 -8.197 12.394 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.663 -9.581 11.356 1.00 0.00 H new ATOM 0 HG SER A 54 6.317 -9.615 13.244 1.00 0.00 H new ATOM 784 N GLU A 55 9.560 -11.951 11.626 1.00 0.00 N ATOM 785 CA GLU A 55 9.859 -13.010 10.670 1.00 0.00 C ATOM 786 C GLU A 55 9.463 -12.593 9.256 1.00 0.00 C ATOM 787 O GLU A 55 10.171 -12.881 8.292 1.00 0.00 O ATOM 788 CB GLU A 55 9.129 -14.298 11.057 1.00 0.00 C ATOM 789 CG GLU A 55 9.757 -15.023 12.236 1.00 0.00 C ATOM 790 CD GLU A 55 8.899 -16.167 12.741 1.00 0.00 C ATOM 791 OE1 GLU A 55 7.662 -16.093 12.588 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.465 -17.136 13.289 1.00 0.00 O ATOM 0 H GLU A 55 9.097 -12.269 12.477 1.00 0.00 H new ATOM 0 HA GLU A 55 10.934 -13.190 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.093 -14.060 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.111 -14.968 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.734 -15.408 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.924 -14.314 13.047 1.00 0.00 H new ATOM 799 N GLY A 56 8.326 -11.914 9.142 1.00 0.00 N ATOM 800 CA GLY A 56 7.856 -11.470 7.843 1.00 0.00 C ATOM 801 C GLY A 56 7.700 -12.613 6.860 1.00 0.00 C ATOM 802 O GLY A 56 7.954 -12.455 5.666 1.00 0.00 O ATOM 0 H GLY A 56 7.722 -11.664 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.898 -10.963 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.556 -10.739 7.437 1.00 0.00 H new ATOM 806 N THR A 57 7.281 -13.770 7.363 1.00 0.00 N ATOM 807 CA THR A 57 7.095 -14.947 6.522 1.00 0.00 C ATOM 808 C THR A 57 5.615 -15.238 6.306 1.00 0.00 C ATOM 809 O THR A 57 5.049 -14.894 5.268 1.00 0.00 O ATOM 810 CB THR A 57 7.767 -16.189 7.136 1.00 0.00 C ATOM 811 OG1 THR A 57 9.184 -15.994 7.210 1.00 0.00 O ATOM 812 CG2 THR A 57 7.464 -17.431 6.312 1.00 0.00 C ATOM 0 H THR A 57 7.064 -13.917 8.349 1.00 0.00 H new ATOM 0 HA THR A 57 7.564 -14.728 5.563 1.00 0.00 H new ATOM 0 HB THR A 57 7.367 -16.331 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.603 -16.788 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.949 -18.296 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.387 -17.594 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.839 -17.295 5.298 1.00 0.00 H new ATOM 820 N LEU A 58 4.991 -15.874 7.291 1.00 0.00 N ATOM 821 CA LEU A 58 3.575 -16.212 7.210 1.00 0.00 C ATOM 822 C LEU A 58 2.808 -15.639 8.398 1.00 0.00 C ATOM 823 O LEU A 58 1.762 -16.161 8.785 1.00 0.00 O ATOM 824 CB LEU A 58 3.395 -17.731 7.156 1.00 0.00 C ATOM 825 CG LEU A 58 2.077 -18.230 6.561 1.00 0.00 C ATOM 826 CD1 LEU A 58 2.332 -19.015 5.284 1.00 0.00 C ATOM 827 CD2 LEU A 58 1.324 -19.082 7.572 1.00 0.00 C ATOM 0 H LEU A 58 5.445 -16.166 8.157 1.00 0.00 H new ATOM 0 HA LEU A 58 3.174 -15.772 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.215 -18.154 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.485 -18.124 8.169 1.00 0.00 H new ATOM 0 HG LEU A 58 1.461 -17.365 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.383 -19.362 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.828 -18.374 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.967 -19.873 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.389 -19.428 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.934 -19.941 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.108 -18.488 8.460 1.00 0.00 H new ATOM 839 N LEU A 59 3.335 -14.562 8.970 1.00 0.00 N ATOM 840 CA LEU A 59 2.699 -13.915 10.113 1.00 0.00 C ATOM 841 C LEU A 59 1.229 -13.625 9.826 1.00 0.00 C ATOM 842 O LEU A 59 0.699 -14.016 8.785 1.00 0.00 O ATOM 843 CB LEU A 59 3.429 -12.616 10.460 1.00 0.00 C ATOM 844 CG LEU A 59 3.944 -11.799 9.275 1.00 0.00 C ATOM 845 CD1 LEU A 59 2.857 -11.639 8.224 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.441 -10.439 9.742 1.00 0.00 C ATOM 0 H LEU A 59 4.200 -14.118 8.662 1.00 0.00 H new ATOM 0 HA LEU A 59 2.757 -14.595 10.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.755 -11.988 11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.275 -12.859 11.103 1.00 0.00 H new ATOM 0 HG LEU A 59 4.780 -12.335 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.242 -11.055 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.548 -12.622 7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.001 -11.126 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.804 -9.871 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.624 -9.897 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.252 -10.574 10.458 1.00 0.00 H new ATOM 858 N LEU A 60 0.576 -12.936 10.755 1.00 0.00 N ATOM 859 CA LEU A 60 -0.833 -12.590 10.602 1.00 0.00 C ATOM 860 C LEU A 60 -1.008 -11.441 9.614 1.00 0.00 C ATOM 861 O LEU A 60 -1.719 -11.569 8.618 1.00 0.00 O ATOM 862 CB LEU A 60 -1.435 -12.210 11.955 1.00 0.00 C ATOM 863 CG LEU A 60 -2.691 -12.977 12.371 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.544 -13.518 13.784 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.920 -12.085 12.265 1.00 0.00 C ATOM 0 H LEU A 60 0.999 -12.606 11.622 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.355 -13.463 10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.674 -12.355 12.722 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.672 -11.146 11.939 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.819 -13.821 11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.448 -14.061 14.062 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.688 -14.192 13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.391 -12.690 14.476 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.804 -12.647 12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.800 -11.221 12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.037 -11.747 11.235 1.00 0.00 H new ATOM 877 N SER A 61 -0.352 -10.320 9.897 1.00 0.00 N ATOM 878 CA SER A 61 -0.437 -9.147 9.034 1.00 0.00 C ATOM 879 C SER A 61 0.937 -8.511 8.848 1.00 0.00 C ATOM 880 O SER A 61 1.765 -8.517 9.759 1.00 0.00 O ATOM 881 CB SER A 61 -1.411 -8.124 9.622 1.00 0.00 C ATOM 882 OG SER A 61 -2.528 -8.764 10.214 1.00 0.00 O ATOM 0 H SER A 61 0.244 -10.199 10.716 1.00 0.00 H new ATOM 0 HA SER A 61 -0.805 -9.468 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.899 -7.517 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.749 -7.447 8.838 1.00 0.00 H new ATOM 0 HG SER A 61 -3.134 -8.088 10.584 1.00 0.00 H new ATOM 888 N ARG A 62 1.171 -7.960 7.662 1.00 0.00 N ATOM 889 CA ARG A 62 2.445 -7.319 7.354 1.00 0.00 C ATOM 890 C ARG A 62 2.392 -5.827 7.670 1.00 0.00 C ATOM 891 O ARG A 62 1.328 -5.280 7.959 1.00 0.00 O ATOM 892 CB ARG A 62 2.801 -7.527 5.881 1.00 0.00 C ATOM 893 CG ARG A 62 3.636 -8.771 5.627 1.00 0.00 C ATOM 894 CD ARG A 62 4.973 -8.425 4.993 1.00 0.00 C ATOM 895 NE ARG A 62 5.028 -8.812 3.585 1.00 0.00 N ATOM 896 CZ ARG A 62 5.103 -10.071 3.171 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.131 -11.063 4.052 1.00 0.00 N ATOM 898 NH2 ARG A 62 5.149 -10.344 1.873 1.00 0.00 N ATOM 0 H ARG A 62 0.495 -7.944 6.898 1.00 0.00 H new ATOM 0 HA ARG A 62 3.215 -7.778 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.882 -7.592 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.345 -6.654 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.803 -9.296 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.088 -9.451 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.149 -7.353 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.773 -8.926 5.538 1.00 0.00 H new ATOM 0 HE ARG A 62 5.008 -8.074 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.095 -10.859 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.189 -12.029 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.127 -9.586 1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.207 -11.312 1.557 1.00 0.00 H new ATOM 912 N LEU A 63 3.549 -5.176 7.615 1.00 0.00 N ATOM 913 CA LEU A 63 3.636 -3.747 7.897 1.00 0.00 C ATOM 914 C LEU A 63 4.420 -3.024 6.804 1.00 0.00 C ATOM 915 O LEU A 63 5.243 -3.627 6.115 1.00 0.00 O ATOM 916 CB LEU A 63 4.300 -3.515 9.255 1.00 0.00 C ATOM 917 CG LEU A 63 3.688 -2.413 10.121 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.286 -2.438 11.519 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.894 -1.050 9.475 1.00 0.00 C ATOM 0 H LEU A 63 4.439 -5.614 7.378 1.00 0.00 H new ATOM 0 HA LEU A 63 2.624 -3.343 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.270 -4.449 9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.350 -3.277 9.088 1.00 0.00 H new ATOM 0 HG LEU A 63 2.617 -2.596 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.838 -1.647 12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.086 -3.404 11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.363 -2.281 11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.452 -0.278 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.961 -0.859 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.417 -1.036 8.495 1.00 0.00 H new ATOM 931 N ILE A 64 4.158 -1.731 6.655 1.00 0.00 N ATOM 932 CA ILE A 64 4.840 -0.925 5.648 1.00 0.00 C ATOM 933 C ILE A 64 5.348 0.383 6.244 1.00 0.00 C ATOM 934 O ILE A 64 4.791 0.894 7.217 1.00 0.00 O ATOM 935 CB ILE A 64 3.915 -0.610 4.458 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.520 -1.900 3.736 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.599 0.352 3.498 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.533 -2.351 2.707 1.00 0.00 C ATOM 0 H ILE A 64 3.479 -1.218 7.218 1.00 0.00 H new ATOM 0 HA ILE A 64 5.687 -1.513 5.293 1.00 0.00 H new ATOM 0 HB ILE A 64 3.009 -0.135 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.385 -2.692 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.558 -1.753 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.934 0.566 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.836 1.279 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.518 -0.099 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.188 -3.271 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.651 -1.577 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.491 -2.531 3.194 1.00 0.00 H new ATOM 950 N LYS A 65 6.407 0.924 5.653 1.00 0.00 N ATOM 951 CA LYS A 65 6.990 2.176 6.121 1.00 0.00 C ATOM 952 C LYS A 65 7.160 3.161 4.970 1.00 0.00 C ATOM 953 O LYS A 65 8.012 2.974 4.101 1.00 0.00 O ATOM 954 CB LYS A 65 8.343 1.915 6.788 1.00 0.00 C ATOM 955 CG LYS A 65 8.313 2.057 8.300 1.00 0.00 C ATOM 956 CD LYS A 65 9.696 1.878 8.904 1.00 0.00 C ATOM 957 CE LYS A 65 9.753 0.661 9.815 1.00 0.00 C ATOM 958 NZ LYS A 65 10.370 -0.512 9.136 1.00 0.00 N ATOM 0 H LYS A 65 6.880 0.515 4.847 1.00 0.00 H new ATOM 0 HA LYS A 65 6.310 2.613 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.677 0.909 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.079 2.608 6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.923 3.039 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.632 1.318 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.431 1.772 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.966 2.770 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.325 0.904 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.745 0.403 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.390 -1.321 9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.810 -0.760 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.341 -0.275 8.848 1.00 0.00 H new ATOM 972 N ILE A 66 6.347 4.212 4.971 1.00 0.00 N ATOM 973 CA ILE A 66 6.410 5.228 3.927 1.00 0.00 C ATOM 974 C ILE A 66 7.237 6.428 4.377 1.00 0.00 C ATOM 975 O ILE A 66 6.870 7.129 5.320 1.00 0.00 O ATOM 976 CB ILE A 66 5.004 5.710 3.525 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.088 4.514 3.257 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.082 6.609 2.299 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.746 4.614 3.947 1.00 0.00 C ATOM 0 H ILE A 66 5.637 4.382 5.683 1.00 0.00 H new ATOM 0 HA ILE A 66 6.887 4.764 3.064 1.00 0.00 H new ATOM 0 HB ILE A 66 4.585 6.287 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.929 4.422 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.589 3.603 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.080 6.941 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.704 7.476 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.518 6.054 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.150 3.732 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.895 4.675 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.225 5.507 3.602 1.00 0.00 H new ATOM 991 N SER A 67 8.354 6.658 3.694 1.00 0.00 N ATOM 992 CA SER A 67 9.235 7.773 4.025 1.00 0.00 C ATOM 993 C SER A 67 9.389 8.715 2.835 1.00 0.00 C ATOM 994 O SER A 67 9.347 8.288 1.682 1.00 0.00 O ATOM 995 CB SER A 67 10.608 7.254 4.460 1.00 0.00 C ATOM 996 OG SER A 67 11.102 6.293 3.544 1.00 0.00 O ATOM 0 H SER A 67 8.670 6.088 2.909 1.00 0.00 H new ATOM 0 HA SER A 67 8.786 8.327 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.309 8.086 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.535 6.811 5.453 1.00 0.00 H new ATOM 0 HG SER A 67 11.981 5.978 3.843 1.00 0.00 H new ATOM 1002 N GLY A 68 9.566 10.001 3.125 1.00 0.00 N ATOM 1003 CA GLY A 68 9.723 10.984 2.070 1.00 0.00 C ATOM 1004 C GLY A 68 9.138 12.332 2.443 1.00 0.00 C ATOM 1005 O GLY A 68 8.953 12.633 3.623 1.00 0.00 O ATOM 0 H GLY A 68 9.603 10.379 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.782 11.102 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.240 10.620 1.163 1.00 0.00 H new ATOM 1009 N THR A 69 8.847 13.148 1.435 1.00 0.00 N ATOM 1010 CA THR A 69 8.283 14.472 1.662 1.00 0.00 C ATOM 1011 C THR A 69 6.782 14.395 1.915 1.00 0.00 C ATOM 1012 O THR A 69 6.107 13.494 1.418 1.00 0.00 O ATOM 1013 CB THR A 69 8.543 15.407 0.465 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.717 15.027 -0.641 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.005 15.362 0.051 1.00 0.00 C ATOM 0 H THR A 69 8.993 12.915 0.453 1.00 0.00 H new ATOM 0 HA THR A 69 8.777 14.878 2.545 1.00 0.00 H new ATOM 0 HB THR A 69 8.299 16.425 0.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.887 15.627 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.164 16.030 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.630 15.679 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.271 14.344 -0.235 1.00 0.00 H new ATOM 1023 N GLN A 70 6.267 15.345 2.688 1.00 0.00 N ATOM 1024 CA GLN A 70 4.844 15.382 3.006 1.00 0.00 C ATOM 1025 C GLN A 70 4.006 14.985 1.796 1.00 0.00 C ATOM 1026 O GLN A 70 2.955 14.358 1.933 1.00 0.00 O ATOM 1027 CB GLN A 70 4.443 16.778 3.483 1.00 0.00 C ATOM 1028 CG GLN A 70 3.219 16.786 4.383 1.00 0.00 C ATOM 1029 CD GLN A 70 3.546 16.416 5.817 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.984 17.257 6.603 1.00 0.00 O ATOM 1031 NE2 GLN A 70 3.333 15.153 6.166 1.00 0.00 N ATOM 0 H GLN A 70 6.813 16.099 3.106 1.00 0.00 H new ATOM 0 HA GLN A 70 4.657 14.665 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.281 17.224 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.249 17.408 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.764 17.776 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.480 16.087 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.969 14.489 5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.533 14.846 7.118 1.00 0.00 H new ATOM 1040 N LYS A 71 4.475 15.355 0.609 1.00 0.00 N ATOM 1041 CA LYS A 71 3.770 15.036 -0.626 1.00 0.00 C ATOM 1042 C LYS A 71 3.762 13.531 -0.876 1.00 0.00 C ATOM 1043 O LYS A 71 2.708 12.937 -1.101 1.00 0.00 O ATOM 1044 CB LYS A 71 4.422 15.756 -1.809 1.00 0.00 C ATOM 1045 CG LYS A 71 4.290 17.268 -1.748 1.00 0.00 C ATOM 1046 CD LYS A 71 2.842 17.707 -1.892 1.00 0.00 C ATOM 1047 CE LYS A 71 2.720 18.947 -2.766 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.568 19.799 -2.362 1.00 0.00 N ATOM 0 H LYS A 71 5.341 15.877 0.477 1.00 0.00 H new ATOM 0 HA LYS A 71 2.739 15.375 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.479 15.493 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.972 15.397 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.689 17.631 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.888 17.719 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.256 16.896 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.423 17.912 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.640 19.527 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.602 18.647 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.519 20.633 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.687 19.253 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.692 20.106 -1.376 1.00 0.00 H new ATOM 1062 N GLU A 72 4.943 12.922 -0.833 1.00 0.00 N ATOM 1063 CA GLU A 72 5.069 11.487 -1.055 1.00 0.00 C ATOM 1064 C GLU A 72 4.402 10.702 0.072 1.00 0.00 C ATOM 1065 O GLU A 72 3.379 10.049 -0.132 1.00 0.00 O ATOM 1066 CB GLU A 72 6.543 11.093 -1.162 1.00 0.00 C ATOM 1067 CG GLU A 72 7.357 12.017 -2.052 1.00 0.00 C ATOM 1068 CD GLU A 72 8.817 11.615 -2.132 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.345 11.094 -1.127 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.431 11.819 -3.201 1.00 0.00 O ATOM 0 H GLU A 72 5.825 13.400 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 72 4.566 11.244 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.981 11.084 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.611 10.076 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.929 12.019 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.285 13.036 -1.673 1.00 0.00 H new ATOM 1077 N VAL A 73 4.992 10.770 1.261 1.00 0.00 N ATOM 1078 CA VAL A 73 4.455 10.066 2.421 1.00 0.00 C ATOM 1079 C VAL A 73 2.934 10.145 2.456 1.00 0.00 C ATOM 1080 O VAL A 73 2.269 9.259 2.993 1.00 0.00 O ATOM 1081 CB VAL A 73 5.018 10.640 3.735 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.403 9.935 4.933 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.536 10.525 3.759 1.00 0.00 C ATOM 0 H VAL A 73 5.841 11.304 1.447 1.00 0.00 H new ATOM 0 HA VAL A 73 4.760 9.024 2.328 1.00 0.00 H new ATOM 0 HB VAL A 73 4.755 11.696 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.813 10.354 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.322 10.074 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.632 8.870 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.917 10.935 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.823 9.476 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.956 11.081 2.921 1.00 0.00 H new ATOM 1093 N ALA A 74 2.388 11.211 1.881 1.00 0.00 N ATOM 1094 CA ALA A 74 0.944 11.404 1.844 1.00 0.00 C ATOM 1095 C ALA A 74 0.328 10.713 0.632 1.00 0.00 C ATOM 1096 O ALA A 74 -0.762 10.149 0.715 1.00 0.00 O ATOM 1097 CB ALA A 74 0.609 12.889 1.834 1.00 0.00 C ATOM 0 H ALA A 74 2.924 11.955 1.434 1.00 0.00 H new ATOM 0 HA ALA A 74 0.520 10.953 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.473 13.018 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.007 13.358 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.053 13.356 0.955 1.00 0.00 H new ATOM 1103 N ALA A 75 1.034 10.762 -0.494 1.00 0.00 N ATOM 1104 CA ALA A 75 0.557 10.140 -1.723 1.00 0.00 C ATOM 1105 C ALA A 75 0.785 8.632 -1.698 1.00 0.00 C ATOM 1106 O ALA A 75 -0.150 7.851 -1.866 1.00 0.00 O ATOM 1107 CB ALA A 75 1.245 10.760 -2.929 1.00 0.00 C ATOM 0 H ALA A 75 1.938 11.226 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.516 10.318 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.879 10.286 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.028 11.828 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.322 10.611 -2.850 1.00 0.00 H new ATOM 1113 N ALA A 76 2.035 8.230 -1.489 1.00 0.00 N ATOM 1114 CA ALA A 76 2.385 6.817 -1.443 1.00 0.00 C ATOM 1115 C ALA A 76 1.406 6.038 -0.571 1.00 0.00 C ATOM 1116 O ALA A 76 1.161 4.853 -0.801 1.00 0.00 O ATOM 1117 CB ALA A 76 3.806 6.642 -0.929 1.00 0.00 C ATOM 0 H ALA A 76 2.822 8.864 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 76 2.325 6.420 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.054 5.581 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.499 7.159 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.884 7.061 0.074 1.00 0.00 H new ATOM 1123 N LYS A 77 0.848 6.709 0.431 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.105 6.080 1.337 1.00 0.00 C ATOM 1125 C LYS A 77 -1.393 5.716 0.605 1.00 0.00 C ATOM 1126 O LYS A 77 -1.998 4.677 0.873 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.418 7.014 2.509 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.869 6.286 3.763 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.678 7.194 4.675 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.976 7.416 6.006 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.926 7.350 7.151 1.00 0.00 N ATOM 0 H LYS A 77 1.040 7.690 0.636 1.00 0.00 H new ATOM 0 HA LYS A 77 0.345 5.164 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.469 7.603 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.196 7.715 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.469 5.419 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.002 5.912 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.841 8.153 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.660 6.755 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.198 6.664 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.483 8.388 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.409 7.506 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.655 8.084 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.378 6.414 7.173 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.806 6.575 -0.320 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.021 6.343 -1.092 1.00 0.00 C ATOM 1147 C HIS A 78 -2.831 5.185 -2.069 1.00 0.00 C ATOM 1148 O HIS A 78 -3.691 4.312 -2.186 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.417 7.609 -1.853 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.808 7.563 -2.406 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.931 7.785 -1.638 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.255 7.322 -3.661 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.008 7.681 -2.396 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.625 7.401 -3.628 1.00 0.00 N ATOM 0 H HIS A 78 -1.317 7.439 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.819 6.082 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.328 8.467 -1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.714 7.766 -2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.647 7.107 -4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.028 7.804 -2.064 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.246 7.265 -4.426 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.701 5.187 -2.767 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.398 4.138 -3.734 1.00 0.00 C ATOM 1164 C LEU A 79 -1.368 2.769 -3.061 1.00 0.00 C ATOM 1165 O LEU A 79 -2.012 1.826 -3.522 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.055 4.415 -4.412 1.00 0.00 C ATOM 1167 CG LEU A 79 0.138 5.826 -4.968 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.582 6.039 -5.394 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.806 6.074 -6.134 1.00 0.00 C ATOM 0 H LEU A 79 -0.980 5.903 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.185 4.135 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.740 4.218 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.070 3.704 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.096 6.541 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.700 7.049 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.239 5.905 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.844 5.316 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.654 7.083 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.605 5.352 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.837 5.965 -5.797 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.619 2.669 -1.968 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.510 1.417 -1.231 1.00 0.00 C ATOM 1183 C ILE A 80 -1.886 0.838 -0.921 1.00 0.00 C ATOM 1184 O ILE A 80 -2.089 -0.375 -0.981 1.00 0.00 O ATOM 1185 CB ILE A 80 0.263 1.607 0.088 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.672 2.133 -0.192 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.326 0.296 0.858 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.229 2.993 0.921 1.00 0.00 C ATOM 0 H ILE A 80 -0.079 3.440 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 80 0.038 0.723 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.264 2.341 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.340 1.288 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.658 2.712 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.875 0.446 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.685 -0.042 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.833 -0.457 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.230 3.330 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.583 3.858 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.276 2.411 1.842 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.829 1.714 -0.594 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.190 1.291 -0.277 1.00 0.00 C ATOM 1202 C LEU A 81 -4.937 0.870 -1.538 1.00 0.00 C ATOM 1203 O LEU A 81 -5.655 -0.129 -1.541 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.946 2.420 0.425 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.705 2.556 1.929 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.033 3.965 2.396 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.528 1.532 2.696 1.00 0.00 C ATOM 0 H LEU A 81 -2.677 2.721 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.131 0.432 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.677 3.362 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.013 2.273 0.260 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.650 2.366 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.856 4.043 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.399 4.679 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.080 4.184 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.344 1.644 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.587 1.690 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.244 0.528 2.382 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.759 1.638 -2.609 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.416 1.343 -3.877 1.00 0.00 C ATOM 1221 C GLU A 82 -5.246 -0.127 -4.249 1.00 0.00 C ATOM 1222 O GLU A 82 -6.031 -0.679 -5.020 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.851 2.230 -4.988 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.079 3.714 -4.757 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.450 4.453 -6.029 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.996 3.811 -6.950 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.192 5.672 -6.103 1.00 0.00 O ATOM 0 H GLU A 82 -4.166 2.468 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.480 1.550 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.781 2.045 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.306 1.944 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.872 3.846 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.176 4.155 -4.335 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.215 -0.756 -3.696 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.940 -2.162 -3.967 1.00 0.00 C ATOM 1236 C LYS A 83 -4.697 -3.062 -2.996 1.00 0.00 C ATOM 1237 O LYS A 83 -5.155 -4.144 -3.365 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.438 -2.437 -3.868 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.713 -2.343 -5.199 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.633 -0.908 -5.690 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.192 -0.466 -5.891 1.00 0.00 C ATOM 1242 NZ LYS A 83 0.214 -0.527 -7.322 1.00 0.00 N ATOM 0 H LYS A 83 -3.555 -0.314 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.278 -2.384 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.993 -1.728 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.286 -3.432 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.707 -2.750 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.229 -2.954 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.178 -0.813 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.120 -0.249 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.070 0.553 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.468 -1.100 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.252 -0.537 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.169 -1.392 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.157 0.305 -7.824 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.828 -2.607 -1.753 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.534 -3.370 -0.731 1.00 0.00 C ATOM 1258 C VAL A 84 -6.991 -3.594 -1.118 1.00 0.00 C ATOM 1259 O VAL A 84 -7.525 -4.690 -0.953 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.481 -2.660 0.635 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.202 -3.482 1.693 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -4.039 -2.396 1.043 1.00 0.00 C ATOM 0 H VAL A 84 -4.454 -1.714 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.031 -4.334 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.990 -1.700 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.154 -2.964 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.245 -3.614 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.725 -4.458 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.021 -1.894 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.502 -3.342 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.560 -1.763 0.296 1.00 0.00 H new ATOM 1272 N SER A 85 -7.628 -2.549 -1.637 1.00 0.00 N ATOM 1273 CA SER A 85 -9.025 -2.631 -2.046 1.00 0.00 C ATOM 1274 C SER A 85 -9.197 -3.616 -3.197 1.00 0.00 C ATOM 1275 O SER A 85 -10.267 -4.197 -3.377 1.00 0.00 O ATOM 1276 CB SER A 85 -9.538 -1.251 -2.461 1.00 0.00 C ATOM 1277 OG SER A 85 -10.319 -0.667 -1.433 1.00 0.00 O ATOM 0 H SER A 85 -7.199 -1.636 -1.784 1.00 0.00 H new ATOM 0 HA SER A 85 -9.607 -2.987 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.695 -0.601 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.134 -1.339 -3.369 1.00 0.00 H new ATOM 0 HG SER A 85 -10.634 0.215 -1.722 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.134 -3.801 -3.975 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.168 -4.716 -5.110 1.00 0.00 C ATOM 1285 C GLU A 86 -8.276 -6.163 -4.638 1.00 0.00 C ATOM 1286 O GLU A 86 -9.225 -6.868 -4.978 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.915 -4.541 -5.971 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.103 -3.574 -7.128 1.00 0.00 C ATOM 1289 CD GLU A 86 -7.762 -4.222 -8.330 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -8.903 -4.711 -8.190 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -7.137 -4.241 -9.410 1.00 0.00 O ATOM 0 H GLU A 86 -7.240 -3.330 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.048 -4.480 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.098 -4.187 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.616 -5.512 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.709 -2.731 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.133 -3.173 -7.423 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.295 -6.599 -3.854 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.279 -7.961 -3.335 1.00 0.00 C ATOM 1300 C ASP A 87 -8.481 -8.212 -2.429 1.00 0.00 C ATOM 1301 O ASP A 87 -8.960 -9.340 -2.317 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.982 -8.222 -2.566 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.732 -9.699 -2.340 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.265 -10.247 -1.352 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -5.003 -10.308 -3.149 1.00 0.00 O ATOM 0 H ASP A 87 -6.501 -6.028 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.335 -8.646 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.144 -7.795 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.024 -7.712 -1.604 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.962 -7.152 -1.785 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.106 -7.260 -0.888 1.00 0.00 C ATOM 1312 C GLU A 88 -11.346 -7.733 -1.642 1.00 0.00 C ATOM 1313 O GLU A 88 -12.153 -8.496 -1.112 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.385 -5.913 -0.218 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.846 -5.704 0.143 1.00 0.00 C ATOM 1316 CD GLU A 88 -12.087 -4.392 0.863 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.132 -3.864 1.471 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -13.231 -3.892 0.818 1.00 0.00 O ATOM 0 H GLU A 88 -8.578 -6.211 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.866 -7.996 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.781 -5.834 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.066 -5.112 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.448 -5.732 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.182 -6.527 0.774 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.490 -7.272 -2.880 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.632 -7.647 -3.706 1.00 0.00 C ATOM 1327 C GLU A 89 -12.299 -8.851 -4.582 1.00 0.00 C ATOM 1328 O GLU A 89 -13.033 -9.840 -4.603 1.00 0.00 O ATOM 1329 CB GLU A 89 -13.063 -6.469 -4.582 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.416 -5.891 -4.201 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.039 -5.076 -5.318 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -15.700 -5.674 -6.192 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -14.864 -3.839 -5.317 1.00 0.00 O ATOM 0 H GLU A 89 -10.831 -6.639 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.454 -7.919 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.310 -5.684 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.096 -6.793 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.090 -6.703 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.302 -5.262 -3.318 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.187 -8.760 -5.304 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.755 -9.842 -6.183 1.00 0.00 C ATOM 1342 C LEU A 90 -11.023 -11.201 -5.546 1.00 0.00 C ATOM 1343 O LEU A 90 -11.446 -12.141 -6.219 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.266 -9.700 -6.504 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.345 -10.758 -5.895 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.505 -12.085 -6.619 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.896 -10.295 -5.942 1.00 0.00 C ATOM 0 H LEU A 90 -10.569 -7.949 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.328 -9.777 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.145 -9.721 -7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.934 -8.719 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.627 -10.900 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.842 -12.826 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.537 -12.424 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.250 -11.958 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.255 -11.060 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.602 -10.124 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.792 -9.368 -5.378 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.774 -11.298 -4.243 1.00 0.00 N ATOM 1360 CA ARG A 91 -10.990 -12.542 -3.515 1.00 0.00 C ATOM 1361 C ARG A 91 -12.474 -12.758 -3.235 1.00 0.00 C ATOM 1362 O ARG A 91 -12.966 -13.886 -3.264 1.00 0.00 O ATOM 1363 CB ARG A 91 -10.208 -12.531 -2.200 1.00 0.00 C ATOM 1364 CG ARG A 91 -8.713 -12.739 -2.379 1.00 0.00 C ATOM 1365 CD ARG A 91 -8.090 -13.379 -1.148 1.00 0.00 C ATOM 1366 NE ARG A 91 -6.934 -14.206 -1.487 1.00 0.00 N ATOM 1367 CZ ARG A 91 -6.284 -14.957 -0.606 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -6.674 -14.987 0.661 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -5.242 -15.682 -0.991 1.00 0.00 N ATOM 0 H ARG A 91 -10.423 -10.530 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.632 -13.363 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.376 -11.580 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.599 -13.312 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.534 -13.370 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.232 -11.781 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.786 -12.600 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.836 -13.990 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.609 -14.206 -2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.475 -14.432 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.173 -15.565 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.939 -15.663 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.743 -16.259 -0.313 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.184 -11.668 -2.962 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.613 -11.737 -2.676 1.00 0.00 C ATOM 1385 C LYS A 92 -15.388 -12.227 -3.895 1.00 0.00 C ATOM 1386 O LYS A 92 -16.343 -12.993 -3.767 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.133 -10.364 -2.246 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.598 -9.905 -0.900 1.00 0.00 C ATOM 1389 CD LYS A 92 -15.578 -10.204 0.222 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.657 -9.055 1.215 1.00 0.00 C ATOM 1391 NZ LYS A 92 -15.565 -9.532 2.623 1.00 0.00 N ATOM 0 H LYS A 92 -12.793 -10.726 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.763 -12.447 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.864 -9.629 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.222 -10.394 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.649 -10.401 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.398 -8.834 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.566 -10.392 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.273 -11.113 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.851 -8.348 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.594 -8.517 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.623 -8.719 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.349 -10.187 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.659 -10.023 2.765 1.00 0.00 H new ATOM 1405 N ARG A 93 -14.970 -11.782 -5.075 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.626 -12.176 -6.316 1.00 0.00 C ATOM 1407 C ARG A 93 -15.537 -13.685 -6.521 1.00 0.00 C ATOM 1408 O ARG A 93 -16.239 -14.249 -7.362 1.00 0.00 O ATOM 1409 CB ARG A 93 -14.993 -11.451 -7.505 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.011 -9.936 -7.375 1.00 0.00 C ATOM 1411 CD ARG A 93 -15.002 -9.261 -8.738 1.00 0.00 C ATOM 1412 NE ARG A 93 -15.038 -7.805 -8.626 1.00 0.00 N ATOM 1413 CZ ARG A 93 -15.013 -6.987 -9.673 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -14.951 -7.480 -10.902 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -15.050 -5.674 -9.491 1.00 0.00 N ATOM 0 H ARG A 93 -14.180 -11.148 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.677 -11.897 -6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.962 -11.785 -7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.520 -11.735 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.897 -9.628 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.145 -9.609 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.108 -9.561 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.860 -9.602 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.085 -7.394 -7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.922 -8.489 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.932 -6.850 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.098 -5.291 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.031 -5.047 -10.295 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.671 -14.333 -5.749 1.00 0.00 N ATOM 1430 CA ILE A 94 -14.493 -15.776 -5.847 1.00 0.00 C ATOM 1431 C ILE A 94 -15.378 -16.509 -4.843 1.00 0.00 C ATOM 1432 O ILE A 94 -16.036 -17.491 -5.183 1.00 0.00 O ATOM 1433 CB ILE A 94 -13.025 -16.179 -5.609 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -12.084 -15.158 -6.253 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -12.763 -17.572 -6.161 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -12.273 -15.020 -7.747 1.00 0.00 C ATOM 0 H ILE A 94 -14.082 -13.882 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.781 -16.062 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.835 -16.194 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.240 -14.186 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.053 -15.448 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.722 -17.843 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.414 -18.290 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.965 -17.583 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.573 -14.280 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.089 -15.981 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.294 -14.700 -7.957 1.00 0.00 H new ATOM 1448 N ALA A 95 -15.388 -16.022 -3.607 1.00 0.00 N ATOM 1449 CA ALA A 95 -16.195 -16.629 -2.555 1.00 0.00 C ATOM 1450 C ALA A 95 -17.683 -16.516 -2.870 1.00 0.00 C ATOM 1451 O ALA A 95 -18.431 -17.484 -2.733 1.00 0.00 O ATOM 1452 CB ALA A 95 -15.888 -15.979 -1.214 1.00 0.00 C ATOM 0 H ALA A 95 -14.847 -15.210 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.941 -17.688 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.497 -16.442 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.833 -16.115 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.114 -14.914 -1.266 1.00 0.00 H new ATOM 1458 N HIS A 96 -18.105 -15.329 -3.294 1.00 0.00 N ATOM 1459 CA HIS A 96 -19.505 -15.092 -3.629 1.00 0.00 C ATOM 1460 C HIS A 96 -19.751 -15.311 -5.118 1.00 0.00 C ATOM 1461 O HIS A 96 -18.868 -15.085 -5.945 1.00 0.00 O ATOM 1462 CB HIS A 96 -19.910 -13.670 -3.238 1.00 0.00 C ATOM 1463 CG HIS A 96 -21.353 -13.542 -2.858 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -22.125 -12.449 -3.195 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -22.165 -14.377 -2.168 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -23.349 -12.618 -2.727 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -23.400 -13.780 -2.100 1.00 0.00 N ATOM 0 H HIS A 96 -17.499 -14.517 -3.414 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.113 -15.803 -3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -19.292 -13.342 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -19.701 -12.999 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -21.892 -15.334 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -24.169 -11.924 -2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -24.223 -14.170 -1.640 1.00 0.00 H new ATOM 1475 N SER A 97 -20.959 -15.756 -5.454 1.00 0.00 N ATOM 1476 CA SER A 97 -21.321 -16.011 -6.843 1.00 0.00 C ATOM 1477 C SER A 97 -22.170 -14.873 -7.401 1.00 0.00 C ATOM 1478 O SER A 97 -23.397 -14.960 -7.437 1.00 0.00 O ATOM 1479 CB SER A 97 -22.080 -17.334 -6.960 1.00 0.00 C ATOM 1480 OG SER A 97 -21.198 -18.405 -7.248 1.00 0.00 O ATOM 0 H SER A 97 -21.703 -15.947 -4.783 1.00 0.00 H new ATOM 0 HA SER A 97 -20.402 -16.075 -7.426 1.00 0.00 H new ATOM 0 HB2 SER A 97 -22.610 -17.536 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 97 -22.832 -17.257 -7.745 1.00 0.00 H new ATOM 0 HG SER A 97 -21.708 -19.239 -7.316 1.00 0.00 H new ATOM 1486 N ALA A 98 -21.507 -13.806 -7.836 1.00 0.00 N ATOM 1487 CA ALA A 98 -22.198 -12.651 -8.393 1.00 0.00 C ATOM 1488 C ALA A 98 -21.281 -11.854 -9.315 1.00 0.00 C ATOM 1489 O ALA A 98 -21.023 -10.675 -9.079 1.00 0.00 O ATOM 1490 CB ALA A 98 -22.729 -11.763 -7.277 1.00 0.00 C ATOM 0 H ALA A 98 -20.491 -13.718 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 98 -23.039 -13.013 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -23.243 -10.904 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -23.426 -12.331 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -21.899 -11.417 -6.661 1.00 0.00 H new ATOM 1496 N SER A 99 -20.793 -12.507 -10.365 1.00 0.00 N ATOM 1497 CA SER A 99 -19.901 -11.860 -11.320 1.00 0.00 C ATOM 1498 C SER A 99 -20.425 -10.479 -11.703 1.00 0.00 C ATOM 1499 O SER A 99 -21.617 -10.200 -11.584 1.00 0.00 O ATOM 1500 CB SER A 99 -19.746 -12.725 -12.572 1.00 0.00 C ATOM 1501 OG SER A 99 -19.142 -13.969 -12.261 1.00 0.00 O ATOM 0 H SER A 99 -21.000 -13.483 -10.576 1.00 0.00 H new ATOM 0 HA SER A 99 -18.926 -11.741 -10.847 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.723 -12.895 -13.024 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.141 -12.198 -13.310 1.00 0.00 H new ATOM 0 HG SER A 99 -19.056 -14.504 -13.078 1.00 0.00 H new ATOM 1507 N GLY A 100 -19.523 -9.618 -12.164 1.00 0.00 N ATOM 1508 CA GLY A 100 -19.911 -8.276 -12.557 1.00 0.00 C ATOM 1509 C GLY A 100 -18.717 -7.386 -12.838 1.00 0.00 C ATOM 1510 O GLY A 100 -18.259 -6.635 -11.976 1.00 0.00 O ATOM 0 H GLY A 100 -18.530 -9.826 -12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -20.538 -8.328 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -20.515 -7.830 -11.767 1.00 0.00 H new ATOM 1514 N PRO A 101 -18.192 -7.463 -14.070 1.00 0.00 N ATOM 1515 CA PRO A 101 -17.037 -6.666 -14.490 1.00 0.00 C ATOM 1516 C PRO A 101 -17.372 -5.184 -14.621 1.00 0.00 C ATOM 1517 O PRO A 101 -16.518 -4.374 -14.984 1.00 0.00 O ATOM 1518 CB PRO A 101 -16.677 -7.255 -15.856 1.00 0.00 C ATOM 1519 CG PRO A 101 -17.948 -7.845 -16.362 1.00 0.00 C ATOM 1520 CD PRO A 101 -18.688 -8.336 -15.148 1.00 0.00 C ATOM 0 HA PRO A 101 -16.225 -6.711 -13.764 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.301 -6.487 -16.532 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.897 -8.011 -15.768 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.535 -7.103 -16.903 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.750 -8.662 -17.056 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -19.767 -8.248 -15.272 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.475 -9.386 -14.945 1.00 0.00 H new ATOM 1528 N SER A 102 -18.619 -4.836 -14.323 1.00 0.00 N ATOM 1529 CA SER A 102 -19.068 -3.450 -14.410 1.00 0.00 C ATOM 1530 C SER A 102 -17.992 -2.498 -13.899 1.00 0.00 C ATOM 1531 O SER A 102 -17.314 -2.782 -12.912 1.00 0.00 O ATOM 1532 CB SER A 102 -20.357 -3.259 -13.609 1.00 0.00 C ATOM 1533 OG SER A 102 -20.708 -1.888 -13.530 1.00 0.00 O ATOM 0 H SER A 102 -19.337 -5.494 -14.019 1.00 0.00 H new ATOM 0 HA SER A 102 -19.263 -3.221 -15.458 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.167 -3.819 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 102 -20.229 -3.664 -12.605 1.00 0.00 H new ATOM 0 HG SER A 102 -21.536 -1.791 -13.015 1.00 0.00 H new ATOM 1539 N SER A 103 -17.841 -1.366 -14.579 1.00 0.00 N ATOM 1540 CA SER A 103 -16.845 -0.372 -14.197 1.00 0.00 C ATOM 1541 C SER A 103 -15.465 -0.754 -14.724 1.00 0.00 C ATOM 1542 O SER A 103 -14.729 -1.502 -14.083 1.00 0.00 O ATOM 1543 CB SER A 103 -16.800 -0.224 -12.675 1.00 0.00 C ATOM 1544 OG SER A 103 -16.316 1.055 -12.302 1.00 0.00 O ATOM 0 H SER A 103 -18.396 -1.114 -15.397 1.00 0.00 H new ATOM 0 HA SER A 103 -17.131 0.582 -14.640 1.00 0.00 H new ATOM 0 HB2 SER A 103 -17.798 -0.374 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 103 -16.160 -0.997 -12.250 1.00 0.00 H new ATOM 0 HG SER A 103 -16.298 1.126 -11.325 1.00 0.00 H new ATOM 1550 N GLY A 104 -15.122 -0.234 -15.899 1.00 0.00 N ATOM 1551 CA GLY A 104 -13.833 -0.532 -16.495 1.00 0.00 C ATOM 1552 C GLY A 104 -13.955 -1.047 -17.915 1.00 0.00 C ATOM 1553 O GLY A 104 -13.106 -1.807 -18.381 1.00 0.00 O ATOM 0 H GLY A 104 -15.714 0.388 -16.449 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.217 0.367 -16.490 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.318 -1.274 -15.886 1.00 0.00 H new TER 1557 GLY A 104