USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 144 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 1.3: A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 HIS : no HD1:sc= -1.27 K(o=-2,f=0.059) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.765 K(o=-2,f=-0.44) USER MOD Set 3.1: A 36 MET CE :methyl -130:sc= -0.0296 (180deg=-1.19) USER MOD Set 3.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 49 GLN : amide:sc= -0.0438 X(o=-0.29,f=-0.2) USER MOD Set 4.2: A 53 ASN : amide:sc= -0.245 X(o=-0.29,f=-0.19) USER MOD Set 5.1: A 26 THR OG1 : rot -140:sc= 0.00159 USER MOD Set 5.2: A 62 THR OG1 : rot 143:sc= 0.00175 USER MOD Set 6.1: A 5 THR OG1 : rot -52:sc= 0.00998 USER MOD Set 6.2: A 8 GLN : amide:sc= 0.00963 X(o=0.02,f=-0.052) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.015) USER MOD Single : A 28 THR OG1 : rot -78:sc= 0.529 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 82:sc= 0.0214 USER MOD Single : A 41 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.38) USER MOD Single : A 42 ASN : amide:sc=-0.00845 K(o=-0.0085,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 60 ASN : amide:sc= -0.652 K(o=-0.65,f=-3.1) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.00798 USER MOD Single : A 71 MET CE :methyl -149:sc= -0.277 (180deg=-1.11) USER MOD Single : A 72 MET CE :methyl 166:sc= -0.109 (180deg=-0.183) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.399 K(o=0.4,f=-4.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -71:sc= 0.89 USER MOD Single : A 110 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 174:sc= -0.0329 (180deg=-0.0921) USER MOD Single : A 135 GLN : amide:sc= 1.2 K(o=1.2,f=-0.031) USER MOD Single : A 137 ASN : amide:sc= -0.0622 K(o=-0.062,f=-3.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.744 14.376 0.704 1.00 0.00 N ATOM 59 CA THR A 5 -11.352 15.647 0.459 1.00 0.00 C ATOM 60 C THR A 5 -12.773 15.491 0.040 1.00 0.00 C ATOM 61 O THR A 5 -13.169 14.423 -0.426 1.00 0.00 O ATOM 62 CB THR A 5 -10.645 16.565 -0.494 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.490 15.960 -1.769 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.220 16.845 0.011 1.00 0.00 C ATOM 0 HA THR A 5 -11.277 16.143 1.427 1.00 0.00 H new ATOM 0 HB THR A 5 -11.244 17.473 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.072 15.080 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.712 17.512 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.268 17.314 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.669 15.907 0.083 1.00 0.00 H new ATOM 72 N GLU A 6 -13.630 16.526 0.094 1.00 0.00 N ATOM 73 CA GLU A 6 -15.005 16.493 -0.295 1.00 0.00 C ATOM 74 C GLU A 6 -15.288 16.127 -1.711 1.00 0.00 C ATOM 75 O GLU A 6 -16.270 15.413 -1.909 1.00 0.00 O ATOM 76 CB GLU A 6 -15.671 17.848 -0.003 1.00 0.00 C ATOM 77 CG GLU A 6 -16.480 17.843 1.295 1.00 0.00 C ATOM 78 CD GLU A 6 -17.846 17.207 1.076 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.589 17.489 0.098 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.238 16.363 1.926 1.00 0.00 O ATOM 0 H GLU A 6 -13.343 17.445 0.431 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.421 15.684 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.904 18.620 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.326 18.112 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.937 17.295 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.603 18.864 1.657 1.00 0.00 H new ATOM 87 N GLU A 7 -14.402 16.487 -2.656 1.00 0.00 N ATOM 88 CA GLU A 7 -14.561 16.165 -4.040 1.00 0.00 C ATOM 89 C GLU A 7 -14.267 14.743 -4.372 1.00 0.00 C ATOM 90 O GLU A 7 -14.881 14.095 -5.219 1.00 0.00 O ATOM 91 CB GLU A 7 -13.723 17.050 -4.979 1.00 0.00 C ATOM 92 CG GLU A 7 -13.840 18.561 -4.769 1.00 0.00 C ATOM 93 CD GLU A 7 -12.844 19.065 -3.734 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.663 19.324 -4.086 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.279 19.122 -2.553 1.00 0.00 O ATOM 0 H GLU A 7 -13.553 17.015 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.621 16.357 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.675 16.769 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.008 16.824 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.672 19.074 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.853 18.807 -4.449 1.00 0.00 H new ATOM 102 N GLN A 8 -13.195 14.225 -3.746 1.00 0.00 N ATOM 103 CA GLN A 8 -12.967 12.814 -3.687 1.00 0.00 C ATOM 104 C GLN A 8 -14.009 12.084 -2.913 1.00 0.00 C ATOM 105 O GLN A 8 -14.380 10.955 -3.230 1.00 0.00 O ATOM 106 CB GLN A 8 -11.625 12.501 -3.003 1.00 0.00 C ATOM 107 CG GLN A 8 -10.393 12.938 -3.799 1.00 0.00 C ATOM 108 CD GLN A 8 -9.286 12.472 -2.865 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.050 12.970 -1.765 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.604 11.363 -3.258 1.00 0.00 N ATOM 0 H GLN A 8 -12.483 14.786 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.982 12.485 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.605 12.989 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.564 11.428 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.340 12.460 -4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.368 14.015 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.793 10.944 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.903 10.951 -2.642 1.00 0.00 H new ATOM 119 N ILE A 9 -14.633 12.635 -1.856 1.00 0.00 N ATOM 120 CA ILE A 9 -15.732 11.991 -1.208 1.00 0.00 C ATOM 121 C ILE A 9 -16.956 11.951 -2.058 1.00 0.00 C ATOM 122 O ILE A 9 -17.686 10.962 -2.011 1.00 0.00 O ATOM 123 CB ILE A 9 -15.858 12.588 0.162 1.00 0.00 C ATOM 124 CG1 ILE A 9 -14.738 12.162 1.126 1.00 0.00 C ATOM 125 CG2 ILE A 9 -17.200 12.199 0.806 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.610 13.140 2.293 1.00 0.00 C ATOM 0 H ILE A 9 -14.373 13.533 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.555 10.925 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.788 13.665 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.944 11.162 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.792 12.109 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.269 12.643 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.020 12.564 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.263 11.114 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.810 12.812 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.379 14.134 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.549 13.173 2.845 1.00 0.00 H new ATOM 138 N ALA A 10 -17.216 13.064 -2.766 1.00 0.00 N ATOM 139 CA ALA A 10 -18.215 13.209 -3.779 1.00 0.00 C ATOM 140 C ALA A 10 -18.149 12.183 -4.858 1.00 0.00 C ATOM 141 O ALA A 10 -19.205 11.652 -5.199 1.00 0.00 O ATOM 142 CB ALA A 10 -18.302 14.633 -4.352 1.00 0.00 C ATOM 0 H ALA A 10 -16.689 13.925 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.150 13.023 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.080 14.671 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.544 15.333 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.345 14.906 -4.796 1.00 0.00 H new ATOM 148 N GLU A 11 -16.936 11.722 -5.214 1.00 0.00 N ATOM 149 CA GLU A 11 -16.717 10.610 -6.086 1.00 0.00 C ATOM 150 C GLU A 11 -17.123 9.335 -5.430 1.00 0.00 C ATOM 151 O GLU A 11 -17.959 8.663 -6.032 1.00 0.00 O ATOM 152 CB GLU A 11 -15.268 10.380 -6.548 1.00 0.00 C ATOM 153 CG GLU A 11 -14.866 11.355 -7.656 1.00 0.00 C ATOM 154 CD GLU A 11 -13.397 11.165 -8.009 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.908 10.019 -8.196 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.705 12.201 -8.198 1.00 0.00 O ATOM 0 H GLU A 11 -16.070 12.144 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.317 10.874 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.593 10.495 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.158 9.356 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.485 11.191 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.041 12.380 -7.330 1.00 0.00 H new ATOM 163 N PHE A 12 -16.576 8.968 -4.257 1.00 0.00 N ATOM 164 CA PHE A 12 -16.884 7.785 -3.515 1.00 0.00 C ATOM 165 C PHE A 12 -18.297 7.681 -3.054 1.00 0.00 C ATOM 166 O PHE A 12 -18.730 6.593 -2.676 1.00 0.00 O ATOM 167 CB PHE A 12 -15.900 7.606 -2.346 1.00 0.00 C ATOM 168 CG PHE A 12 -14.464 7.545 -2.737 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.948 6.781 -3.757 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.602 8.433 -2.138 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.639 6.910 -4.157 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.288 8.580 -2.516 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.786 7.773 -3.510 1.00 0.00 C ATOM 0 H PHE A 12 -15.868 9.540 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.764 6.963 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.036 8.431 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.155 6.690 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.585 6.064 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.975 9.045 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.276 6.326 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.660 9.318 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.741 7.816 -3.778 1.00 0.00 H new ATOM 183 N LYS A 13 -19.092 8.766 -3.062 1.00 0.00 N ATOM 184 CA LYS A 13 -20.479 8.729 -2.719 1.00 0.00 C ATOM 185 C LYS A 13 -21.282 8.292 -3.896 1.00 0.00 C ATOM 186 O LYS A 13 -22.193 7.488 -3.707 1.00 0.00 O ATOM 187 CB LYS A 13 -20.891 10.162 -2.342 1.00 0.00 C ATOM 188 CG LYS A 13 -22.226 10.316 -1.611 1.00 0.00 C ATOM 189 CD LYS A 13 -22.584 11.745 -1.198 1.00 0.00 C ATOM 190 CE LYS A 13 -21.759 12.326 -0.047 1.00 0.00 C ATOM 191 NZ LYS A 13 -21.891 13.800 -0.043 1.00 0.00 N ATOM 0 H LYS A 13 -18.760 9.697 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.650 8.033 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.108 10.589 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.930 10.757 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.019 9.931 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.207 9.691 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.471 12.394 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.637 11.770 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.101 11.917 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -20.712 12.044 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.331 14.197 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -21.544 14.182 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -22.891 14.059 0.081 1.00 0.00 H new ATOM 205 N GLU A 14 -20.995 8.813 -5.102 1.00 0.00 N ATOM 206 CA GLU A 14 -21.597 8.448 -6.347 1.00 0.00 C ATOM 207 C GLU A 14 -21.250 7.058 -6.758 1.00 0.00 C ATOM 208 O GLU A 14 -22.081 6.240 -7.147 1.00 0.00 O ATOM 209 CB GLU A 14 -21.084 9.313 -7.510 1.00 0.00 C ATOM 210 CG GLU A 14 -21.693 9.040 -8.887 1.00 0.00 C ATOM 211 CD GLU A 14 -21.345 10.089 -9.934 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.923 11.207 -9.866 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.746 9.761 -10.993 1.00 0.00 O ATOM 0 H GLU A 14 -20.291 9.542 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.666 8.572 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -21.261 10.359 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.004 9.181 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.354 8.065 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.777 8.984 -8.789 1.00 0.00 H new ATOM 220 N ALA A 15 -19.958 6.708 -6.626 1.00 0.00 N ATOM 221 CA ALA A 15 -19.505 5.374 -6.871 1.00 0.00 C ATOM 222 C ALA A 15 -20.284 4.340 -6.132 1.00 0.00 C ATOM 223 O ALA A 15 -20.719 3.297 -6.616 1.00 0.00 O ATOM 224 CB ALA A 15 -17.974 5.335 -6.726 1.00 0.00 C ATOM 0 H ALA A 15 -19.221 7.356 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.716 5.085 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.617 4.322 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.523 6.016 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.696 5.639 -5.717 1.00 0.00 H new ATOM 230 N PHE A 16 -20.632 4.499 -4.843 1.00 0.00 N ATOM 231 CA PHE A 16 -21.347 3.576 -4.017 1.00 0.00 C ATOM 232 C PHE A 16 -22.613 2.981 -4.529 1.00 0.00 C ATOM 233 O PHE A 16 -22.851 1.774 -4.524 1.00 0.00 O ATOM 234 CB PHE A 16 -21.673 4.415 -2.770 1.00 0.00 C ATOM 235 CG PHE A 16 -22.171 3.690 -1.567 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.288 2.814 -0.981 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.434 3.804 -1.036 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.677 2.117 0.139 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.803 3.078 0.072 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.953 2.165 0.649 1.00 0.00 C ATOM 0 H PHE A 16 -20.391 5.350 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.720 2.693 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.773 4.960 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.421 5.157 -3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.300 2.675 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.146 4.473 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.945 1.502 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.784 3.229 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.269 1.522 1.457 1.00 0.00 H new ATOM 250 N SER A 17 -23.518 3.834 -5.041 1.00 0.00 N ATOM 251 CA SER A 17 -24.752 3.369 -5.595 1.00 0.00 C ATOM 252 C SER A 17 -24.560 2.833 -6.972 1.00 0.00 C ATOM 253 O SER A 17 -25.323 1.987 -7.437 1.00 0.00 O ATOM 254 CB SER A 17 -25.730 4.547 -5.733 1.00 0.00 C ATOM 255 OG SER A 17 -26.203 4.949 -4.456 1.00 0.00 O ATOM 0 H SER A 17 -23.395 4.846 -5.071 1.00 0.00 H new ATOM 0 HA SER A 17 -25.129 2.592 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.234 5.384 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.570 4.259 -6.365 1.00 0.00 H new ATOM 0 HG SER A 17 -26.823 5.701 -4.559 1.00 0.00 H new ATOM 261 N LEU A 18 -23.461 3.230 -7.637 1.00 0.00 N ATOM 262 CA LEU A 18 -23.041 2.553 -8.825 1.00 0.00 C ATOM 263 C LEU A 18 -22.510 1.171 -8.654 1.00 0.00 C ATOM 264 O LEU A 18 -22.633 0.290 -9.503 1.00 0.00 O ATOM 265 CB LEU A 18 -21.971 3.390 -9.547 1.00 0.00 C ATOM 266 CG LEU A 18 -22.306 3.853 -10.975 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.454 2.624 -11.889 1.00 0.00 C ATOM 268 CD2 LEU A 18 -23.583 4.688 -11.163 1.00 0.00 C ATOM 0 H LEU A 18 -22.868 4.011 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.960 2.444 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.764 4.273 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.051 2.807 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.471 4.508 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.691 2.950 -12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.520 2.063 -11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -23.256 1.987 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.697 4.946 -12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -24.447 4.110 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.511 5.601 -10.571 1.00 0.00 H new ATOM 280 N PHE A 19 -21.865 0.941 -7.496 1.00 0.00 N ATOM 281 CA PHE A 19 -21.398 -0.355 -7.114 1.00 0.00 C ATOM 282 C PHE A 19 -22.510 -1.223 -6.633 1.00 0.00 C ATOM 283 O PHE A 19 -22.498 -2.440 -6.806 1.00 0.00 O ATOM 284 CB PHE A 19 -20.332 -0.223 -6.013 1.00 0.00 C ATOM 285 CG PHE A 19 -19.092 0.459 -6.478 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.698 0.532 -7.793 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.277 0.947 -5.484 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.563 1.234 -8.126 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.096 1.576 -5.800 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.746 1.701 -7.124 1.00 0.00 C ATOM 0 H PHE A 19 -21.664 1.670 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.963 -0.824 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.752 0.332 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.076 -1.216 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.277 0.041 -8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.566 0.836 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.317 1.416 -9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.455 1.965 -5.023 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.811 2.175 -7.382 1.00 0.00 H new ATOM 300 N ASP A 20 -23.562 -0.656 -6.016 1.00 0.00 N ATOM 301 CA ASP A 20 -24.586 -1.410 -5.361 1.00 0.00 C ATOM 302 C ASP A 20 -25.549 -1.992 -6.338 1.00 0.00 C ATOM 303 O ASP A 20 -26.119 -1.344 -7.215 1.00 0.00 O ATOM 304 CB ASP A 20 -25.376 -0.436 -4.471 1.00 0.00 C ATOM 305 CG ASP A 20 -26.145 -1.148 -3.368 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.113 -1.904 -3.649 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.773 -1.056 -2.168 1.00 0.00 O ATOM 0 H ASP A 20 -23.705 0.353 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.119 -2.219 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.688 0.282 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.073 0.131 -5.088 1.00 0.00 H new ATOM 312 N LYS A 21 -25.727 -3.315 -6.177 1.00 0.00 N ATOM 313 CA LYS A 21 -26.603 -4.126 -6.964 1.00 0.00 C ATOM 314 C LYS A 21 -28.055 -3.814 -6.842 1.00 0.00 C ATOM 315 O LYS A 21 -28.857 -3.706 -7.769 1.00 0.00 O ATOM 316 CB LYS A 21 -26.223 -5.567 -6.584 1.00 0.00 C ATOM 317 CG LYS A 21 -27.142 -6.674 -7.104 1.00 0.00 C ATOM 318 CD LYS A 21 -26.838 -7.889 -6.225 1.00 0.00 C ATOM 319 CE LYS A 21 -27.844 -9.027 -6.411 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.760 -9.552 -7.792 1.00 0.00 N ATOM 0 H LYS A 21 -25.234 -3.847 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.464 -3.932 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.214 -5.761 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.188 -5.635 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.190 -6.385 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.946 -6.888 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.837 -8.255 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.834 -7.582 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.641 -9.824 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.853 -8.668 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.422 -10.347 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.008 -8.799 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.791 -9.879 -7.981 1.00 0.00 H new ATOM 334 N ASP A 22 -28.531 -3.730 -5.587 1.00 0.00 N ATOM 335 CA ASP A 22 -29.904 -3.714 -5.186 1.00 0.00 C ATOM 336 C ASP A 22 -30.410 -2.313 -5.212 1.00 0.00 C ATOM 337 O ASP A 22 -31.574 -2.010 -5.472 1.00 0.00 O ATOM 338 CB ASP A 22 -30.100 -4.411 -3.830 1.00 0.00 C ATOM 339 CG ASP A 22 -28.958 -5.358 -3.489 1.00 0.00 C ATOM 340 OD1 ASP A 22 -27.885 -4.952 -2.969 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.134 -6.590 -3.685 1.00 0.00 O ATOM 0 H ASP A 22 -27.901 -3.668 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.500 -4.290 -5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.188 -3.657 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.037 -4.968 -3.844 1.00 0.00 H new ATOM 346 N GLY A 23 -29.464 -1.371 -5.047 1.00 0.00 N ATOM 347 CA GLY A 23 -29.706 -0.021 -4.643 1.00 0.00 C ATOM 348 C GLY A 23 -30.411 0.081 -3.334 1.00 0.00 C ATOM 349 O GLY A 23 -31.309 0.912 -3.212 1.00 0.00 O ATOM 0 H GLY A 23 -28.475 -1.563 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.755 0.509 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.299 0.480 -5.408 1.00 0.00 H new ATOM 353 N ASP A 24 -30.169 -0.733 -2.291 1.00 0.00 N ATOM 354 CA ASP A 24 -30.848 -0.664 -1.034 1.00 0.00 C ATOM 355 C ASP A 24 -30.165 0.290 -0.116 1.00 0.00 C ATOM 356 O ASP A 24 -30.790 0.982 0.685 1.00 0.00 O ATOM 357 CB ASP A 24 -30.889 -2.114 -0.523 1.00 0.00 C ATOM 358 CG ASP A 24 -29.529 -2.792 -0.449 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.491 -2.258 -0.925 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.485 -3.861 0.217 1.00 0.00 O ATOM 0 H ASP A 24 -29.468 -1.473 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.862 -0.272 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.341 -2.124 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.538 -2.698 -1.175 1.00 0.00 H new ATOM 365 N GLY A 25 -28.835 0.460 -0.228 1.00 0.00 N ATOM 366 CA GLY A 25 -28.137 1.457 0.522 1.00 0.00 C ATOM 367 C GLY A 25 -26.949 0.993 1.292 1.00 0.00 C ATOM 368 O GLY A 25 -26.178 1.752 1.877 1.00 0.00 O ATOM 0 H GLY A 25 -28.241 -0.097 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.815 2.239 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.839 1.915 1.219 1.00 0.00 H new ATOM 372 N THR A 26 -26.766 -0.338 1.362 1.00 0.00 N ATOM 373 CA THR A 26 -25.638 -0.864 2.066 1.00 0.00 C ATOM 374 C THR A 26 -25.077 -1.884 1.136 1.00 0.00 C ATOM 375 O THR A 26 -25.775 -2.526 0.352 1.00 0.00 O ATOM 376 CB THR A 26 -25.811 -1.630 3.343 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.906 -2.534 3.384 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.132 -0.638 4.474 1.00 0.00 C ATOM 0 H THR A 26 -27.382 -1.035 0.943 1.00 0.00 H new ATOM 0 HA THR A 26 -25.072 0.023 2.350 1.00 0.00 H new ATOM 0 HB THR A 26 -24.880 -2.189 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.330 -2.494 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.261 -1.182 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.313 0.073 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.051 -0.101 4.237 1.00 0.00 H new ATOM 386 N ILE A 27 -23.747 -2.080 1.096 1.00 0.00 N ATOM 387 CA ILE A 27 -23.152 -3.136 0.337 1.00 0.00 C ATOM 388 C ILE A 27 -22.847 -4.325 1.182 1.00 0.00 C ATOM 389 O ILE A 27 -22.406 -4.169 2.320 1.00 0.00 O ATOM 390 CB ILE A 27 -22.052 -2.649 -0.558 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.678 -2.548 0.126 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.430 -1.362 -1.311 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.538 -2.755 -0.871 1.00 0.00 C ATOM 0 H ILE A 27 -23.076 -1.498 1.597 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.891 -3.511 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.935 -3.432 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.577 -1.571 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.609 -3.293 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.598 -1.053 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -23.308 -1.547 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.652 -0.572 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.582 -2.677 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.625 -3.743 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.592 -1.993 -1.649 1.00 0.00 H new ATOM 405 N THR A 28 -23.066 -5.539 0.645 1.00 0.00 N ATOM 406 CA THR A 28 -22.813 -6.831 1.202 1.00 0.00 C ATOM 407 C THR A 28 -21.430 -7.301 0.905 1.00 0.00 C ATOM 408 O THR A 28 -20.638 -6.674 0.203 1.00 0.00 O ATOM 409 CB THR A 28 -23.851 -7.796 0.710 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.866 -7.960 -0.701 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.268 -7.376 1.135 1.00 0.00 C ATOM 0 H THR A 28 -23.468 -5.619 -0.289 1.00 0.00 H new ATOM 0 HA THR A 28 -22.883 -6.766 2.288 1.00 0.00 H new ATOM 0 HB THR A 28 -23.567 -8.743 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.325 -7.199 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.990 -8.101 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.325 -7.337 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.494 -6.392 0.725 1.00 0.00 H new ATOM 419 N THR A 29 -21.024 -8.492 1.380 1.00 0.00 N ATOM 420 CA THR A 29 -19.767 -9.088 1.048 1.00 0.00 C ATOM 421 C THR A 29 -19.622 -9.442 -0.393 1.00 0.00 C ATOM 422 O THR A 29 -18.599 -9.121 -0.995 1.00 0.00 O ATOM 423 CB THR A 29 -19.414 -10.362 1.757 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.517 -11.255 1.741 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.206 -10.094 3.257 1.00 0.00 C ATOM 0 H THR A 29 -21.588 -9.058 2.015 1.00 0.00 H new ATOM 0 HA THR A 29 -19.108 -8.280 1.364 1.00 0.00 H new ATOM 0 HB THR A 29 -18.529 -10.760 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.274 -12.083 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.950 -11.026 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.397 -9.376 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.123 -9.690 3.685 1.00 0.00 H new ATOM 433 N LYS A 30 -20.669 -10.030 -1.000 1.00 0.00 N ATOM 434 CA LYS A 30 -20.860 -10.362 -2.378 1.00 0.00 C ATOM 435 C LYS A 30 -20.598 -9.232 -3.313 1.00 0.00 C ATOM 436 O LYS A 30 -19.761 -9.294 -4.212 1.00 0.00 O ATOM 437 CB LYS A 30 -22.344 -10.711 -2.574 1.00 0.00 C ATOM 438 CG LYS A 30 -22.802 -11.948 -1.798 1.00 0.00 C ATOM 439 CD LYS A 30 -23.849 -12.804 -2.513 1.00 0.00 C ATOM 440 CE LYS A 30 -24.330 -14.111 -1.880 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.650 -14.121 -0.435 1.00 0.00 N ATOM 0 H LYS A 30 -21.483 -10.306 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.164 -11.172 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.950 -9.858 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.532 -10.871 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.931 -12.568 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.209 -11.628 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.727 -12.178 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.451 -13.048 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.221 -14.432 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.563 -14.866 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.961 -15.073 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.804 -13.859 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.411 -13.438 -0.243 1.00 0.00 H new ATOM 455 N GLU A 31 -21.222 -8.086 -2.987 1.00 0.00 N ATOM 456 CA GLU A 31 -21.080 -6.846 -3.684 1.00 0.00 C ATOM 457 C GLU A 31 -19.716 -6.246 -3.641 1.00 0.00 C ATOM 458 O GLU A 31 -19.259 -5.775 -4.681 1.00 0.00 O ATOM 459 CB GLU A 31 -22.080 -5.777 -3.211 1.00 0.00 C ATOM 460 CG GLU A 31 -23.523 -6.110 -3.596 1.00 0.00 C ATOM 461 CD GLU A 31 -24.509 -5.162 -2.928 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.822 -4.039 -3.407 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.094 -5.515 -1.870 1.00 0.00 O ATOM 0 H GLU A 31 -21.860 -8.022 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.287 -7.134 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.011 -5.674 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.806 -4.813 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.635 -6.051 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.750 -7.136 -3.308 1.00 0.00 H new ATOM 470 N LEU A 32 -18.972 -6.244 -2.521 1.00 0.00 N ATOM 471 CA LEU A 32 -17.620 -5.784 -2.443 1.00 0.00 C ATOM 472 C LEU A 32 -16.746 -6.698 -3.231 1.00 0.00 C ATOM 473 O LEU A 32 -15.820 -6.159 -3.835 1.00 0.00 O ATOM 474 CB LEU A 32 -17.219 -5.642 -0.965 1.00 0.00 C ATOM 475 CG LEU A 32 -15.815 -5.050 -0.749 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.563 -3.646 -1.326 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.477 -5.150 0.748 1.00 0.00 C ATOM 0 H LEU A 32 -19.330 -6.579 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.505 -4.795 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.950 -5.010 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.265 -6.623 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.128 -5.651 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.539 -3.341 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.714 -3.664 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.256 -2.937 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.485 -4.736 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.213 -4.590 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.494 -6.196 1.056 1.00 0.00 H new ATOM 489 N GLY A 33 -17.048 -8.003 -3.352 1.00 0.00 N ATOM 490 CA GLY A 33 -16.317 -8.909 -4.183 1.00 0.00 C ATOM 491 C GLY A 33 -16.505 -8.545 -5.615 1.00 0.00 C ATOM 492 O GLY A 33 -15.574 -8.516 -6.418 1.00 0.00 O ATOM 0 H GLY A 33 -17.824 -8.441 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.258 -8.878 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.657 -9.930 -4.010 1.00 0.00 H new ATOM 496 N THR A 34 -17.739 -8.183 -6.008 1.00 0.00 N ATOM 497 CA THR A 34 -18.004 -7.730 -7.338 1.00 0.00 C ATOM 498 C THR A 34 -17.255 -6.536 -7.823 1.00 0.00 C ATOM 499 O THR A 34 -16.902 -6.389 -8.992 1.00 0.00 O ATOM 500 CB THR A 34 -19.456 -7.439 -7.577 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.253 -8.493 -7.058 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.924 -7.283 -9.034 1.00 0.00 C ATOM 0 H THR A 34 -18.558 -8.204 -5.400 1.00 0.00 H new ATOM 0 HA THR A 34 -17.648 -8.591 -7.904 1.00 0.00 H new ATOM 0 HB THR A 34 -19.575 -6.472 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.200 -8.295 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.994 -7.076 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.387 -6.458 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.724 -8.204 -9.581 1.00 0.00 H new ATOM 510 N VAL A 35 -16.929 -5.637 -6.878 1.00 0.00 N ATOM 511 CA VAL A 35 -16.073 -4.513 -7.101 1.00 0.00 C ATOM 512 C VAL A 35 -14.654 -4.927 -7.292 1.00 0.00 C ATOM 513 O VAL A 35 -13.960 -4.468 -8.198 1.00 0.00 O ATOM 514 CB VAL A 35 -16.177 -3.505 -5.995 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.398 -2.192 -6.176 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.665 -3.143 -5.850 1.00 0.00 C ATOM 0 H VAL A 35 -17.275 -5.695 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.415 -4.041 -8.022 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.729 -3.983 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.557 -1.552 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.335 -2.410 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.749 -1.681 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.785 -2.409 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.030 -2.723 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.236 -4.039 -5.607 1.00 0.00 H new ATOM 526 N MET A 36 -14.112 -5.776 -6.401 1.00 0.00 N ATOM 527 CA MET A 36 -12.785 -6.310 -6.417 1.00 0.00 C ATOM 528 C MET A 36 -12.400 -7.080 -7.633 1.00 0.00 C ATOM 529 O MET A 36 -11.345 -6.869 -8.229 1.00 0.00 O ATOM 530 CB MET A 36 -12.461 -7.075 -5.122 1.00 0.00 C ATOM 531 CG MET A 36 -12.149 -6.004 -4.075 1.00 0.00 C ATOM 532 SD MET A 36 -11.632 -6.614 -2.442 1.00 0.00 S ATOM 533 CE MET A 36 -12.027 -5.122 -1.484 1.00 0.00 C ATOM 0 H MET A 36 -14.648 -6.117 -5.603 1.00 0.00 H new ATOM 0 HA MET A 36 -12.151 -5.425 -6.468 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.304 -7.693 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.611 -7.743 -5.264 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.362 -5.360 -4.466 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.035 -5.382 -3.945 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.170 -4.847 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.262 -4.304 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.886 -5.318 -0.842 1.00 0.00 H new ATOM 543 N ARG A 37 -13.323 -7.953 -8.074 1.00 0.00 N ATOM 544 CA ARG A 37 -13.348 -8.723 -9.279 1.00 0.00 C ATOM 545 C ARG A 37 -13.343 -7.827 -10.469 1.00 0.00 C ATOM 546 O ARG A 37 -12.608 -8.177 -11.391 1.00 0.00 O ATOM 547 CB ARG A 37 -14.576 -9.649 -9.332 1.00 0.00 C ATOM 548 CG ARG A 37 -14.423 -10.874 -8.428 1.00 0.00 C ATOM 549 CD ARG A 37 -13.316 -11.839 -8.855 1.00 0.00 C ATOM 550 NE ARG A 37 -13.607 -13.031 -8.011 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.722 -14.014 -7.675 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.512 -14.178 -8.285 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.015 -14.914 -6.692 1.00 0.00 N ATOM 0 H ARG A 37 -14.154 -8.139 -7.512 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.452 -9.344 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.463 -9.089 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.736 -9.977 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.223 -10.537 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.370 -11.414 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.364 -12.070 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.323 -11.433 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.557 -13.121 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.229 -13.547 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.891 -14.932 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.905 -14.857 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.344 -15.643 -6.452 1.00 0.00 H new ATOM 567 N SER A 38 -14.109 -6.722 -10.476 1.00 0.00 N ATOM 568 CA SER A 38 -14.025 -5.736 -11.508 1.00 0.00 C ATOM 569 C SER A 38 -12.728 -5.014 -11.643 1.00 0.00 C ATOM 570 O SER A 38 -12.350 -4.623 -12.746 1.00 0.00 O ATOM 571 CB SER A 38 -15.175 -4.716 -11.532 1.00 0.00 C ATOM 572 OG SER A 38 -16.424 -5.243 -11.957 1.00 0.00 O ATOM 0 H SER A 38 -14.798 -6.509 -9.754 1.00 0.00 H new ATOM 0 HA SER A 38 -14.115 -6.385 -12.379 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.293 -4.298 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.899 -3.893 -12.191 1.00 0.00 H new ATOM 0 HG SER A 38 -16.859 -5.700 -11.207 1.00 0.00 H new ATOM 578 N LEU A 39 -11.947 -4.769 -10.576 1.00 0.00 N ATOM 579 CA LEU A 39 -10.583 -4.343 -10.622 1.00 0.00 C ATOM 580 C LEU A 39 -9.602 -5.428 -10.906 1.00 0.00 C ATOM 581 O LEU A 39 -8.408 -5.147 -10.990 1.00 0.00 O ATOM 582 CB LEU A 39 -10.075 -3.684 -9.329 1.00 0.00 C ATOM 583 CG LEU A 39 -10.968 -2.572 -8.752 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.019 -2.445 -7.221 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.548 -1.195 -9.292 1.00 0.00 C ATOM 0 H LEU A 39 -12.291 -4.875 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.625 -3.626 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.955 -4.458 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.086 -3.268 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.961 -2.881 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.683 -1.625 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.393 -3.374 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.018 -2.245 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.194 -0.426 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.514 -0.994 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.638 -1.187 -10.378 1.00 0.00 H new ATOM 597 N GLY A 40 -10.009 -6.672 -11.218 1.00 0.00 N ATOM 598 CA GLY A 40 -9.047 -7.682 -11.533 1.00 0.00 C ATOM 599 C GLY A 40 -8.404 -8.376 -10.383 1.00 0.00 C ATOM 600 O GLY A 40 -7.291 -8.893 -10.474 1.00 0.00 O ATOM 0 H GLY A 40 -10.983 -6.974 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.534 -8.433 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.262 -7.228 -12.138 1.00 0.00 H new ATOM 604 N GLN A 41 -9.089 -8.453 -9.228 1.00 0.00 N ATOM 605 CA GLN A 41 -8.507 -8.972 -8.029 1.00 0.00 C ATOM 606 C GLN A 41 -9.172 -10.281 -7.775 1.00 0.00 C ATOM 607 O GLN A 41 -10.176 -10.524 -8.443 1.00 0.00 O ATOM 608 CB GLN A 41 -8.601 -8.018 -6.826 1.00 0.00 C ATOM 609 CG GLN A 41 -7.912 -6.683 -7.118 1.00 0.00 C ATOM 610 CD GLN A 41 -8.210 -5.670 -6.023 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.301 -5.113 -5.913 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.257 -5.499 -5.067 1.00 0.00 N ATOM 0 H GLN A 41 -10.058 -8.152 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.432 -9.095 -8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.648 -7.843 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.142 -8.483 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.835 -6.834 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.251 -6.296 -8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.353 -5.962 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.447 -4.908 -4.258 1.00 0.00 H new ATOM 621 N ASN A 42 -8.821 -11.057 -6.735 1.00 0.00 N ATOM 622 CA ASN A 42 -9.359 -12.350 -6.445 1.00 0.00 C ATOM 623 C ASN A 42 -9.705 -12.399 -4.996 1.00 0.00 C ATOM 624 O ASN A 42 -8.872 -12.898 -4.241 1.00 0.00 O ATOM 625 CB ASN A 42 -8.214 -13.347 -6.690 1.00 0.00 C ATOM 626 CG ASN A 42 -7.766 -13.284 -8.143 1.00 0.00 C ATOM 627 OD1 ASN A 42 -8.559 -13.625 -9.019 1.00 0.00 O ATOM 628 ND2 ASN A 42 -6.572 -12.689 -8.408 1.00 0.00 N ATOM 0 H ASN A 42 -8.119 -10.764 -6.056 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.239 -12.571 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.375 -13.118 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.543 -14.357 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.297 -12.505 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.952 -12.426 -7.642 1.00 0.00 H new ATOM 635 N PRO A 43 -10.749 -11.836 -4.464 1.00 0.00 N ATOM 636 CA PRO A 43 -11.123 -11.926 -3.082 1.00 0.00 C ATOM 637 C PRO A 43 -11.554 -13.304 -2.715 1.00 0.00 C ATOM 638 O PRO A 43 -12.093 -14.021 -3.556 1.00 0.00 O ATOM 639 CB PRO A 43 -12.268 -10.950 -2.818 1.00 0.00 C ATOM 640 CG PRO A 43 -12.888 -10.845 -4.221 1.00 0.00 C ATOM 641 CD PRO A 43 -11.745 -11.092 -5.219 1.00 0.00 C ATOM 0 HA PRO A 43 -10.253 -11.676 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.975 -11.332 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.914 -9.987 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.683 -11.580 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.334 -9.863 -4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.090 -11.658 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.337 -10.153 -5.594 1.00 0.00 H new ATOM 649 N THR A 44 -11.277 -13.674 -1.452 1.00 0.00 N ATOM 650 CA THR A 44 -11.806 -14.795 -0.739 1.00 0.00 C ATOM 651 C THR A 44 -12.967 -14.406 0.110 1.00 0.00 C ATOM 652 O THR A 44 -13.254 -13.218 0.248 1.00 0.00 O ATOM 653 CB THR A 44 -10.904 -15.495 0.235 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.389 -14.621 1.229 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.657 -16.110 -0.423 1.00 0.00 C ATOM 0 H THR A 44 -10.624 -13.139 -0.880 1.00 0.00 H new ATOM 0 HA THR A 44 -12.028 -15.463 -1.571 1.00 0.00 H new ATOM 0 HB THR A 44 -11.549 -16.264 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.810 -15.124 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.049 -16.600 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.963 -16.842 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.074 -15.324 -0.903 1.00 0.00 H new ATOM 663 N GLU A 45 -13.732 -15.368 0.655 1.00 0.00 N ATOM 664 CA GLU A 45 -14.785 -14.940 1.524 1.00 0.00 C ATOM 665 C GLU A 45 -14.399 -14.511 2.897 1.00 0.00 C ATOM 666 O GLU A 45 -14.870 -13.516 3.447 1.00 0.00 O ATOM 667 CB GLU A 45 -15.846 -16.039 1.702 1.00 0.00 C ATOM 668 CG GLU A 45 -16.493 -16.400 0.363 1.00 0.00 C ATOM 669 CD GLU A 45 -17.612 -17.431 0.319 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.736 -17.064 0.757 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.370 -18.610 -0.053 1.00 0.00 O ATOM 0 H GLU A 45 -13.636 -16.373 0.511 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.156 -14.058 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.386 -16.926 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.612 -15.700 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.882 -15.478 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.700 -16.752 -0.297 1.00 0.00 H new ATOM 678 N ALA A 46 -13.318 -15.078 3.462 1.00 0.00 N ATOM 679 CA ALA A 46 -12.594 -14.703 4.636 1.00 0.00 C ATOM 680 C ALA A 46 -12.100 -13.301 4.735 1.00 0.00 C ATOM 681 O ALA A 46 -12.379 -12.572 5.685 1.00 0.00 O ATOM 682 CB ALA A 46 -11.491 -15.744 4.893 1.00 0.00 C ATOM 0 H ALA A 46 -12.902 -15.906 3.036 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.333 -14.706 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.932 -15.468 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.943 -16.725 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.816 -15.777 4.038 1.00 0.00 H new ATOM 688 N GLU A 47 -11.379 -12.815 3.708 1.00 0.00 N ATOM 689 CA GLU A 47 -10.863 -11.491 3.555 1.00 0.00 C ATOM 690 C GLU A 47 -11.913 -10.434 3.545 1.00 0.00 C ATOM 691 O GLU A 47 -11.758 -9.379 4.158 1.00 0.00 O ATOM 692 CB GLU A 47 -10.028 -11.404 2.266 1.00 0.00 C ATOM 693 CG GLU A 47 -8.686 -12.122 2.421 1.00 0.00 C ATOM 694 CD GLU A 47 -7.806 -11.601 3.549 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.666 -10.359 3.705 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.203 -12.403 4.311 1.00 0.00 O ATOM 0 H GLU A 47 -11.137 -13.406 2.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.242 -11.301 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.585 -11.845 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.856 -10.358 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.875 -13.182 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.136 -12.040 1.483 1.00 0.00 H new ATOM 703 N LEU A 48 -13.023 -10.740 2.850 1.00 0.00 N ATOM 704 CA LEU A 48 -14.209 -9.942 2.816 1.00 0.00 C ATOM 705 C LEU A 48 -14.826 -9.822 4.167 1.00 0.00 C ATOM 706 O LEU A 48 -15.093 -8.714 4.631 1.00 0.00 O ATOM 707 CB LEU A 48 -15.244 -10.597 1.886 1.00 0.00 C ATOM 708 CG LEU A 48 -15.003 -10.178 0.426 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.795 -11.163 -0.450 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.399 -8.718 0.150 1.00 0.00 C ATOM 0 H LEU A 48 -13.097 -11.585 2.284 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.927 -8.952 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.184 -11.682 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.250 -10.308 2.192 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.938 -10.220 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.657 -10.908 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.437 -12.177 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.854 -11.103 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.206 -8.480 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.459 -8.582 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.813 -8.055 0.787 1.00 0.00 H new ATOM 722 N GLN A 49 -14.978 -10.892 4.967 1.00 0.00 N ATOM 723 CA GLN A 49 -15.437 -10.865 6.321 1.00 0.00 C ATOM 724 C GLN A 49 -14.586 -9.997 7.183 1.00 0.00 C ATOM 725 O GLN A 49 -15.102 -9.282 8.040 1.00 0.00 O ATOM 726 CB GLN A 49 -15.360 -12.284 6.910 1.00 0.00 C ATOM 727 CG GLN A 49 -15.905 -12.413 8.333 1.00 0.00 C ATOM 728 CD GLN A 49 -17.372 -12.023 8.451 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.235 -12.857 8.186 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.754 -10.798 8.902 1.00 0.00 N ATOM 0 H GLN A 49 -14.766 -11.837 4.647 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.456 -10.477 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.912 -12.963 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.320 -12.611 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.781 -13.442 8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.314 -11.785 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.050 -10.095 9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.744 -10.583 9.016 1.00 0.00 H new ATOM 739 N ASP A 50 -13.259 -9.995 6.966 1.00 0.00 N ATOM 740 CA ASP A 50 -12.332 -9.313 7.815 1.00 0.00 C ATOM 741 C ASP A 50 -12.430 -7.841 7.608 1.00 0.00 C ATOM 742 O ASP A 50 -12.544 -7.111 8.591 1.00 0.00 O ATOM 743 CB ASP A 50 -10.938 -9.855 7.456 1.00 0.00 C ATOM 744 CG ASP A 50 -9.980 -9.421 8.555 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.178 -9.844 9.726 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.022 -8.660 8.254 1.00 0.00 O ATOM 0 H ASP A 50 -12.820 -10.478 6.183 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.542 -9.487 8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.959 -10.942 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.614 -9.468 6.490 1.00 0.00 H new ATOM 751 N MET A 51 -12.603 -7.389 6.353 1.00 0.00 N ATOM 752 CA MET A 51 -12.769 -6.034 5.926 1.00 0.00 C ATOM 753 C MET A 51 -14.046 -5.445 6.418 1.00 0.00 C ATOM 754 O MET A 51 -14.100 -4.267 6.770 1.00 0.00 O ATOM 755 CB MET A 51 -12.779 -5.821 4.403 1.00 0.00 C ATOM 756 CG MET A 51 -11.394 -6.083 3.808 1.00 0.00 C ATOM 757 SD MET A 51 -11.806 -6.335 2.055 1.00 0.00 S ATOM 758 CE MET A 51 -10.063 -6.328 1.544 1.00 0.00 C ATOM 0 H MET A 51 -12.629 -8.035 5.564 1.00 0.00 H new ATOM 0 HA MET A 51 -11.891 -5.548 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.509 -6.487 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.090 -4.801 4.176 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.717 -5.242 3.955 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.916 -6.958 4.248 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.000 -6.469 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.609 -5.374 1.812 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.533 -7.136 2.048 1.00 0.00 H new ATOM 768 N ILE A 52 -15.108 -6.270 6.435 1.00 0.00 N ATOM 769 CA ILE A 52 -16.411 -5.947 6.926 1.00 0.00 C ATOM 770 C ILE A 52 -16.306 -5.628 8.378 1.00 0.00 C ATOM 771 O ILE A 52 -16.879 -4.660 8.875 1.00 0.00 O ATOM 772 CB ILE A 52 -17.460 -6.939 6.518 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.231 -6.636 5.223 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.474 -7.210 7.643 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.425 -6.619 3.925 1.00 0.00 C ATOM 0 H ILE A 52 -15.051 -7.225 6.082 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.790 -5.045 6.445 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.861 -7.825 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.024 -7.376 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.714 -5.665 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.213 -7.934 7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.953 -7.608 8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.975 -6.280 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.087 -6.394 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.648 -5.857 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.964 -7.595 3.770 1.00 0.00 H new ATOM 787 N ASN A 53 -15.598 -6.405 9.217 1.00 0.00 N ATOM 788 CA ASN A 53 -15.448 -6.169 10.619 1.00 0.00 C ATOM 789 C ASN A 53 -14.679 -4.980 11.083 1.00 0.00 C ATOM 790 O ASN A 53 -14.852 -4.422 12.165 1.00 0.00 O ATOM 791 CB ASN A 53 -14.872 -7.438 11.270 1.00 0.00 C ATOM 792 CG ASN A 53 -15.839 -8.604 11.115 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.050 -8.489 11.294 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.241 -9.786 10.809 1.00 0.00 N ATOM 0 H ASN A 53 -15.105 -7.240 8.901 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.461 -5.921 10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.916 -7.688 10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.679 -7.256 12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.802 -10.633 10.718 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.231 -9.826 10.671 1.00 0.00 H new ATOM 801 N GLU A 54 -13.801 -4.433 10.222 1.00 0.00 N ATOM 802 CA GLU A 54 -13.159 -3.189 10.514 1.00 0.00 C ATOM 803 C GLU A 54 -14.001 -2.000 10.201 1.00 0.00 C ATOM 804 O GLU A 54 -13.964 -0.999 10.915 1.00 0.00 O ATOM 805 CB GLU A 54 -11.789 -3.082 9.823 1.00 0.00 C ATOM 806 CG GLU A 54 -10.906 -2.010 10.464 1.00 0.00 C ATOM 807 CD GLU A 54 -9.437 -2.030 10.065 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.099 -1.434 9.007 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.638 -2.679 10.791 1.00 0.00 O ATOM 0 H GLU A 54 -13.537 -4.849 9.329 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.005 -3.186 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.282 -4.046 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.932 -2.850 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.317 -1.032 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.969 -2.115 11.547 1.00 0.00 H new ATOM 816 N VAL A 55 -14.804 -2.068 9.125 1.00 0.00 N ATOM 817 CA VAL A 55 -15.638 -0.995 8.681 1.00 0.00 C ATOM 818 C VAL A 55 -16.971 -0.831 9.328 1.00 0.00 C ATOM 819 O VAL A 55 -17.406 0.285 9.606 1.00 0.00 O ATOM 820 CB VAL A 55 -15.813 -0.890 7.195 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.408 -0.827 6.573 1.00 0.00 C ATOM 822 CG2 VAL A 55 -16.696 -2.050 6.707 1.00 0.00 C ATOM 0 H VAL A 55 -14.875 -2.902 8.542 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.020 -0.170 9.037 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.339 0.013 6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.493 -0.750 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.878 0.044 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.855 -1.731 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.827 -1.979 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.219 -2.999 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.669 -1.996 7.194 1.00 0.00 H new ATOM 832 N ASP A 56 -17.605 -1.968 9.663 1.00 0.00 N ATOM 833 CA ASP A 56 -18.882 -2.026 10.304 1.00 0.00 C ATOM 834 C ASP A 56 -18.851 -1.606 11.734 1.00 0.00 C ATOM 835 O ASP A 56 -18.477 -2.328 12.657 1.00 0.00 O ATOM 836 CB ASP A 56 -19.589 -3.392 10.289 1.00 0.00 C ATOM 837 CG ASP A 56 -21.058 -3.290 10.676 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.720 -2.276 10.329 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.592 -4.274 11.254 1.00 0.00 O ATOM 0 H ASP A 56 -17.209 -2.890 9.479 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.443 -1.327 9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.508 -3.829 9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.081 -4.068 10.977 1.00 0.00 H new ATOM 844 N ALA A 57 -19.344 -0.391 12.030 1.00 0.00 N ATOM 845 CA ALA A 57 -19.479 0.220 13.316 1.00 0.00 C ATOM 846 C ALA A 57 -20.837 -0.007 13.887 1.00 0.00 C ATOM 847 O ALA A 57 -20.987 -0.171 15.097 1.00 0.00 O ATOM 848 CB ALA A 57 -19.197 1.725 13.167 1.00 0.00 C ATOM 0 H ALA A 57 -19.682 0.225 11.291 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.765 -0.229 14.007 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.295 2.211 14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.185 1.870 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.911 2.162 12.469 1.00 0.00 H new ATOM 854 N ASP A 58 -21.924 0.065 13.099 1.00 0.00 N ATOM 855 CA ASP A 58 -23.246 0.003 13.640 1.00 0.00 C ATOM 856 C ASP A 58 -23.788 -1.320 14.059 1.00 0.00 C ATOM 857 O ASP A 58 -24.608 -1.371 14.975 1.00 0.00 O ATOM 858 CB ASP A 58 -24.252 0.694 12.704 1.00 0.00 C ATOM 859 CG ASP A 58 -24.312 0.170 11.276 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.693 -1.007 11.038 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.884 0.875 10.324 1.00 0.00 O ATOM 0 H ASP A 58 -21.887 0.166 12.085 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.121 0.532 14.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.246 0.605 13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.013 1.757 12.669 1.00 0.00 H new ATOM 866 N GLY A 59 -23.373 -2.393 13.361 1.00 0.00 N ATOM 867 CA GLY A 59 -23.640 -3.752 13.718 1.00 0.00 C ATOM 868 C GLY A 59 -24.643 -4.426 12.846 1.00 0.00 C ATOM 869 O GLY A 59 -25.104 -5.516 13.180 1.00 0.00 O ATOM 0 H GLY A 59 -22.824 -2.308 12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.707 -4.315 13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.992 -3.783 14.749 1.00 0.00 H new ATOM 873 N ASN A 60 -24.985 -3.817 11.697 1.00 0.00 N ATOM 874 CA ASN A 60 -25.798 -4.412 10.681 1.00 0.00 C ATOM 875 C ASN A 60 -25.124 -5.497 9.913 1.00 0.00 C ATOM 876 O ASN A 60 -25.744 -6.336 9.262 1.00 0.00 O ATOM 877 CB ASN A 60 -26.617 -3.495 9.758 1.00 0.00 C ATOM 878 CG ASN A 60 -25.801 -2.518 8.923 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.583 -2.590 8.767 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.509 -1.534 8.306 1.00 0.00 N ATOM 0 H ASN A 60 -24.683 -2.871 11.466 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.563 -4.858 11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -27.208 -4.117 9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -27.320 -2.928 10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.030 -0.856 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.519 -1.475 8.435 1.00 0.00 H new ATOM 887 N GLY A 61 -23.779 -5.457 9.916 1.00 0.00 N ATOM 888 CA GLY A 61 -22.990 -6.479 9.301 1.00 0.00 C ATOM 889 C GLY A 61 -22.596 -6.155 7.901 1.00 0.00 C ATOM 890 O GLY A 61 -21.796 -6.840 7.266 1.00 0.00 O ATOM 0 H GLY A 61 -23.235 -4.710 10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.091 -6.642 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.550 -7.414 9.307 1.00 0.00 H new ATOM 894 N THR A 62 -23.231 -5.098 7.363 1.00 0.00 N ATOM 895 CA THR A 62 -23.063 -4.653 6.014 1.00 0.00 C ATOM 896 C THR A 62 -22.463 -3.289 6.005 1.00 0.00 C ATOM 897 O THR A 62 -22.366 -2.648 7.050 1.00 0.00 O ATOM 898 CB THR A 62 -24.326 -4.638 5.204 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.475 -4.176 5.898 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.708 -6.106 4.954 1.00 0.00 C ATOM 0 H THR A 62 -23.891 -4.528 7.892 1.00 0.00 H new ATOM 0 HA THR A 62 -22.403 -5.381 5.543 1.00 0.00 H new ATOM 0 HB THR A 62 -24.111 -4.003 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.035 -3.650 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.625 -6.148 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.905 -6.603 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.866 -6.609 5.908 1.00 0.00 H new ATOM 908 N ILE A 63 -21.903 -2.828 4.873 1.00 0.00 N ATOM 909 CA ILE A 63 -21.242 -1.570 4.712 1.00 0.00 C ATOM 910 C ILE A 63 -22.084 -0.439 4.229 1.00 0.00 C ATOM 911 O ILE A 63 -22.516 -0.375 3.079 1.00 0.00 O ATOM 912 CB ILE A 63 -20.018 -1.552 3.845 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.175 -2.837 3.895 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.195 -0.424 4.489 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.058 -2.926 2.857 1.00 0.00 C ATOM 0 H ILE A 63 -21.913 -3.373 4.011 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.963 -1.426 5.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.291 -1.436 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.734 -2.924 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.838 -3.692 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.258 -0.301 3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.761 0.507 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.981 -0.677 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.524 -3.869 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.487 -2.877 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.365 -2.096 2.996 1.00 0.00 H new ATOM 927 N ASP A 64 -22.399 0.508 5.130 1.00 0.00 N ATOM 928 CA ASP A 64 -23.053 1.755 4.880 1.00 0.00 C ATOM 929 C ASP A 64 -22.202 2.839 4.313 1.00 0.00 C ATOM 930 O ASP A 64 -20.981 2.694 4.323 1.00 0.00 O ATOM 931 CB ASP A 64 -23.601 2.357 6.185 1.00 0.00 C ATOM 932 CG ASP A 64 -24.661 1.439 6.776 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.239 0.437 7.414 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.883 1.739 6.714 1.00 0.00 O ATOM 0 H ASP A 64 -22.176 0.389 6.118 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.814 1.475 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.790 2.497 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.028 3.341 5.990 1.00 0.00 H new ATOM 939 N PHE A 65 -22.777 3.910 3.737 1.00 0.00 N ATOM 940 CA PHE A 65 -21.960 4.900 3.106 1.00 0.00 C ATOM 941 C PHE A 65 -20.871 5.526 3.907 1.00 0.00 C ATOM 942 O PHE A 65 -19.744 5.481 3.417 1.00 0.00 O ATOM 943 CB PHE A 65 -22.836 5.947 2.398 1.00 0.00 C ATOM 944 CG PHE A 65 -21.995 6.987 1.742 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.077 6.642 0.778 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.935 8.202 2.382 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.117 7.550 0.399 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.989 9.095 1.937 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.094 8.818 0.931 1.00 0.00 C ATOM 0 H PHE A 65 -23.781 4.089 3.707 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.385 4.327 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.464 5.458 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.504 6.416 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.110 5.664 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.601 8.444 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.370 7.264 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.947 10.068 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.401 9.565 0.573 1.00 0.00 H new ATOM 959 N PRO A 66 -20.985 6.029 5.101 1.00 0.00 N ATOM 960 CA PRO A 66 -19.875 6.540 5.851 1.00 0.00 C ATOM 961 C PRO A 66 -18.818 5.539 6.169 1.00 0.00 C ATOM 962 O PRO A 66 -17.666 5.925 6.361 1.00 0.00 O ATOM 963 CB PRO A 66 -20.496 7.092 7.132 1.00 0.00 C ATOM 964 CG PRO A 66 -22.018 7.229 6.966 1.00 0.00 C ATOM 965 CD PRO A 66 -22.246 6.271 5.785 1.00 0.00 C ATOM 0 HA PRO A 66 -19.347 7.287 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.272 6.430 7.968 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.059 8.063 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.563 6.926 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.322 8.251 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.663 5.330 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.971 6.698 5.092 1.00 0.00 H new ATOM 973 N GLU A 67 -19.064 4.220 6.257 1.00 0.00 N ATOM 974 CA GLU A 67 -18.128 3.164 6.493 1.00 0.00 C ATOM 975 C GLU A 67 -17.457 2.834 5.204 1.00 0.00 C ATOM 976 O GLU A 67 -16.265 2.533 5.229 1.00 0.00 O ATOM 977 CB GLU A 67 -18.799 1.950 7.157 1.00 0.00 C ATOM 978 CG GLU A 67 -19.833 2.272 8.238 1.00 0.00 C ATOM 979 CD GLU A 67 -20.506 0.959 8.610 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.996 0.249 7.691 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.751 0.672 9.812 1.00 0.00 O ATOM 0 H GLU A 67 -20.012 3.860 6.152 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.368 3.488 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.284 1.357 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.022 1.325 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.355 2.721 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.565 2.991 7.870 1.00 0.00 H new ATOM 988 N PHE A 68 -18.077 3.040 4.028 1.00 0.00 N ATOM 989 CA PHE A 68 -17.500 2.890 2.728 1.00 0.00 C ATOM 990 C PHE A 68 -16.491 3.970 2.543 1.00 0.00 C ATOM 991 O PHE A 68 -15.394 3.770 2.024 1.00 0.00 O ATOM 992 CB PHE A 68 -18.576 2.805 1.632 1.00 0.00 C ATOM 993 CG PHE A 68 -17.992 2.230 0.388 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.694 0.889 0.321 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.736 3.054 -0.683 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.972 0.372 -0.728 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.068 2.578 -1.787 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.729 1.246 -1.761 1.00 0.00 C ATOM 0 H PHE A 68 -19.053 3.333 3.984 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.977 1.938 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.406 2.187 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.980 3.797 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -18.033 0.230 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.062 4.083 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.620 -0.649 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.824 3.214 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.226 0.850 -2.631 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.820 5.211 2.944 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.919 6.317 2.855 1.00 0.00 C ATOM 1010 C LEU A 69 -14.745 6.124 3.752 1.00 0.00 C ATOM 1011 O LEU A 69 -13.609 6.388 3.361 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.751 7.494 3.390 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.138 8.904 3.433 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.218 9.992 3.557 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.102 9.155 4.542 1.00 0.00 C ATOM 0 H LEU A 69 -17.730 5.451 3.338 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.536 6.455 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.658 7.552 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.057 7.241 4.405 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.612 8.961 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.744 10.973 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.890 9.937 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.786 9.838 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.739 10.180 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.566 8.997 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.266 8.466 4.422 1.00 0.00 H new ATOM 1027 N THR A 70 -14.875 5.475 4.923 1.00 0.00 N ATOM 1028 CA THR A 70 -13.738 5.097 5.704 1.00 0.00 C ATOM 1029 C THR A 70 -12.843 4.082 5.080 1.00 0.00 C ATOM 1030 O THR A 70 -11.631 4.202 5.253 1.00 0.00 O ATOM 1031 CB THR A 70 -14.073 4.791 7.134 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.626 5.977 7.683 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.936 4.203 7.986 1.00 0.00 C ATOM 0 H THR A 70 -15.772 5.211 5.331 1.00 0.00 H new ATOM 0 HA THR A 70 -13.130 6.001 5.721 1.00 0.00 H new ATOM 0 HB THR A 70 -14.789 3.969 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.540 6.096 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.296 4.023 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.602 3.263 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.103 4.906 8.016 1.00 0.00 H new ATOM 1041 N MET A 71 -13.442 3.143 4.325 1.00 0.00 N ATOM 1042 CA MET A 71 -12.790 2.113 3.578 1.00 0.00 C ATOM 1043 C MET A 71 -11.887 2.723 2.561 1.00 0.00 C ATOM 1044 O MET A 71 -10.692 2.434 2.565 1.00 0.00 O ATOM 1045 CB MET A 71 -13.733 1.022 3.045 1.00 0.00 C ATOM 1046 CG MET A 71 -12.969 -0.019 2.224 1.00 0.00 C ATOM 1047 SD MET A 71 -14.119 -1.202 1.461 1.00 0.00 S ATOM 1048 CE MET A 71 -14.269 -2.263 2.928 1.00 0.00 C ATOM 0 H MET A 71 -14.457 3.102 4.231 1.00 0.00 H new ATOM 0 HA MET A 71 -12.162 1.544 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.236 0.533 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.508 1.477 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.384 0.478 1.450 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.265 -0.550 2.865 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.442 -3.293 2.616 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.349 -2.210 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.106 -1.923 3.539 1.00 0.00 H new ATOM 1058 N MET A 72 -12.406 3.636 1.720 1.00 0.00 N ATOM 1059 CA MET A 72 -11.686 4.400 0.749 1.00 0.00 C ATOM 1060 C MET A 72 -10.614 5.268 1.312 1.00 0.00 C ATOM 1061 O MET A 72 -9.509 5.338 0.777 1.00 0.00 O ATOM 1062 CB MET A 72 -12.573 5.280 -0.148 1.00 0.00 C ATOM 1063 CG MET A 72 -13.536 4.367 -0.910 1.00 0.00 C ATOM 1064 SD MET A 72 -12.689 3.517 -2.275 1.00 0.00 S ATOM 1065 CE MET A 72 -12.916 1.866 -1.554 1.00 0.00 C ATOM 0 H MET A 72 -13.402 3.855 1.720 1.00 0.00 H new ATOM 0 HA MET A 72 -11.229 3.614 0.149 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.128 6.000 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.960 5.852 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.961 3.631 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.366 4.955 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.704 1.108 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.236 1.740 -0.711 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.945 1.758 -1.210 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.826 5.805 2.527 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.867 6.511 3.318 1.00 0.00 C ATOM 1077 C ALA A 73 -8.722 5.633 3.687 1.00 0.00 C ATOM 1078 O ALA A 73 -7.602 6.098 3.894 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.524 7.212 4.519 1.00 0.00 C ATOM 0 H ALA A 73 -11.733 5.740 2.988 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.447 7.313 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.762 7.737 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.266 7.926 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.010 6.470 5.152 1.00 0.00 H new ATOM 1234 N GLU A 83 2.741 0.217 -3.537 1.00 0.00 N ATOM 1235 CA GLU A 83 3.705 0.175 -4.592 1.00 0.00 C ATOM 1236 C GLU A 83 5.073 0.571 -4.155 1.00 0.00 C ATOM 1237 O GLU A 83 6.101 0.179 -4.704 1.00 0.00 O ATOM 1238 CB GLU A 83 3.350 0.986 -5.850 1.00 0.00 C ATOM 1239 CG GLU A 83 3.134 2.486 -5.646 1.00 0.00 C ATOM 1240 CD GLU A 83 3.010 3.134 -7.018 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.010 2.763 -7.688 1.00 0.00 O ATOM 1242 OE2 GLU A 83 3.914 3.908 -7.432 1.00 0.00 O ATOM 0 HA GLU A 83 3.688 -0.880 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.147 0.851 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.443 0.565 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.234 2.665 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.968 2.919 -5.094 1.00 0.00 H new ATOM 1249 N GLU A 84 5.083 1.436 -3.125 1.00 0.00 N ATOM 1250 CA GLU A 84 6.293 1.926 -2.540 1.00 0.00 C ATOM 1251 C GLU A 84 6.960 0.858 -1.743 1.00 0.00 C ATOM 1252 O GLU A 84 8.156 0.709 -1.986 1.00 0.00 O ATOM 1253 CB GLU A 84 5.872 2.985 -1.508 1.00 0.00 C ATOM 1254 CG GLU A 84 7.029 3.624 -0.737 1.00 0.00 C ATOM 1255 CD GLU A 84 6.491 4.373 0.475 1.00 0.00 C ATOM 1256 OE1 GLU A 84 5.728 5.369 0.360 1.00 0.00 O ATOM 1257 OE2 GLU A 84 6.766 3.854 1.590 1.00 0.00 O ATOM 0 H GLU A 84 4.236 1.802 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 84 6.955 2.291 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.317 3.771 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.188 2.525 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.733 2.856 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.576 4.308 -1.385 1.00 0.00 H new ATOM 1264 N ILE A 85 6.206 0.055 -0.971 1.00 0.00 N ATOM 1265 CA ILE A 85 6.762 -1.087 -0.314 1.00 0.00 C ATOM 1266 C ILE A 85 7.296 -2.111 -1.256 1.00 0.00 C ATOM 1267 O ILE A 85 8.339 -2.729 -1.047 1.00 0.00 O ATOM 1268 CB ILE A 85 6.070 -1.754 0.838 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.836 -2.570 0.417 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.681 -0.656 1.842 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.028 -3.171 1.566 1.00 0.00 C ATOM 0 H ILE A 85 5.210 0.197 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 85 7.554 -0.550 0.208 1.00 0.00 H new ATOM 0 HB ILE A 85 6.753 -2.476 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.179 -1.928 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.161 -3.378 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.174 -1.106 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.579 -0.141 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.014 0.059 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.181 -3.726 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.662 -3.844 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.664 -2.372 2.212 1.00 0.00 H new ATOM 1283 N ARG A 86 6.498 -2.320 -2.318 1.00 0.00 N ATOM 1284 CA ARG A 86 6.621 -3.216 -3.426 1.00 0.00 C ATOM 1285 C ARG A 86 7.893 -3.027 -4.178 1.00 0.00 C ATOM 1286 O ARG A 86 8.647 -3.922 -4.558 1.00 0.00 O ATOM 1287 CB ARG A 86 5.433 -3.286 -4.401 1.00 0.00 C ATOM 1288 CG ARG A 86 5.500 -4.470 -5.367 1.00 0.00 C ATOM 1289 CD ARG A 86 4.267 -4.533 -6.271 1.00 0.00 C ATOM 1290 NE ARG A 86 4.517 -5.661 -7.211 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.605 -6.638 -7.490 1.00 0.00 C ATOM 1292 NH1 ARG A 86 2.271 -6.389 -7.344 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.987 -7.847 -7.995 1.00 0.00 N ATOM 0 H ARG A 86 5.640 -1.776 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 86 6.627 -4.185 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.508 -3.347 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.391 -2.361 -4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.397 -4.389 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.584 -5.398 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.362 -4.702 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.128 -3.596 -6.811 1.00 0.00 H new ATOM 0 HE ARG A 86 5.425 -5.706 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.955 -5.473 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.590 -7.119 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.973 -8.037 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.286 -8.561 -8.195 1.00 0.00 H new ATOM 1307 N GLU A 87 8.202 -1.730 -4.353 1.00 0.00 N ATOM 1308 CA GLU A 87 9.536 -1.369 -4.721 1.00 0.00 C ATOM 1309 C GLU A 87 10.642 -1.663 -3.766 1.00 0.00 C ATOM 1310 O GLU A 87 11.681 -2.268 -4.024 1.00 0.00 O ATOM 1311 CB GLU A 87 9.455 0.042 -5.328 1.00 0.00 C ATOM 1312 CG GLU A 87 10.688 0.340 -6.184 1.00 0.00 C ATOM 1313 CD GLU A 87 10.590 -0.497 -7.452 1.00 0.00 C ATOM 1314 OE1 GLU A 87 9.749 -0.099 -8.302 1.00 0.00 O ATOM 1315 OE2 GLU A 87 11.242 -1.562 -7.617 1.00 0.00 O ATOM 0 H GLU A 87 7.551 -0.952 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 87 9.900 -2.068 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.555 0.129 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.373 0.781 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.735 1.401 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.600 0.099 -5.637 1.00 0.00 H new ATOM 1322 N ALA A 88 10.508 -1.322 -2.472 1.00 0.00 N ATOM 1323 CA ALA A 88 11.478 -1.616 -1.463 1.00 0.00 C ATOM 1324 C ALA A 88 11.707 -3.062 -1.186 1.00 0.00 C ATOM 1325 O ALA A 88 12.741 -3.403 -0.613 1.00 0.00 O ATOM 1326 CB ALA A 88 10.997 -0.946 -0.164 1.00 0.00 C ATOM 0 H ALA A 88 9.693 -0.823 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 88 12.432 -1.241 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.711 -1.146 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.917 0.130 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.022 -1.347 0.113 1.00 0.00 H new ATOM 1332 N PHE A 89 10.724 -3.890 -1.583 1.00 0.00 N ATOM 1333 CA PHE A 89 10.764 -5.319 -1.597 1.00 0.00 C ATOM 1334 C PHE A 89 11.860 -5.876 -2.440 1.00 0.00 C ATOM 1335 O PHE A 89 12.523 -6.826 -2.028 1.00 0.00 O ATOM 1336 CB PHE A 89 9.436 -5.811 -2.197 1.00 0.00 C ATOM 1337 CG PHE A 89 9.269 -7.288 -2.092 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.456 -7.898 -0.874 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.189 -8.128 -3.178 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.261 -9.248 -0.707 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.252 -9.495 -3.044 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.223 -10.081 -1.800 1.00 0.00 C ATOM 0 H PHE A 89 9.831 -3.530 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 89 10.933 -5.650 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.608 -5.319 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.385 -5.517 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.764 -7.302 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.073 -7.702 -4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.137 -9.656 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.325 -10.115 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.172 -11.154 -1.686 1.00 0.00 H new ATOM 1352 N ARG A 90 12.040 -5.219 -3.600 1.00 0.00 N ATOM 1353 CA ARG A 90 13.048 -5.698 -4.494 1.00 0.00 C ATOM 1354 C ARG A 90 14.365 -5.089 -4.156 1.00 0.00 C ATOM 1355 O ARG A 90 15.413 -5.701 -4.357 1.00 0.00 O ATOM 1356 CB ARG A 90 12.663 -5.568 -5.978 1.00 0.00 C ATOM 1357 CG ARG A 90 13.779 -5.906 -6.969 1.00 0.00 C ATOM 1358 CD ARG A 90 13.429 -5.658 -8.438 1.00 0.00 C ATOM 1359 NE ARG A 90 12.743 -6.933 -8.790 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.837 -7.128 -9.792 1.00 0.00 C ATOM 1361 NH1 ARG A 90 11.511 -6.286 -10.816 1.00 0.00 N ATOM 1362 NH2 ARG A 90 11.135 -8.296 -9.869 1.00 0.00 N ATOM 0 H ARG A 90 11.518 -4.399 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 90 13.140 -6.774 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.813 -6.221 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.331 -4.547 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.661 -5.318 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.049 -6.955 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.779 -4.792 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.315 -5.485 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 90 12.975 -7.747 -8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.970 -5.379 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.808 -6.564 -11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.286 -9.029 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.459 -8.436 -10.620 1.00 0.00 H new ATOM 1376 N VAL A 91 14.364 -3.867 -3.592 1.00 0.00 N ATOM 1377 CA VAL A 91 15.573 -3.397 -2.990 1.00 0.00 C ATOM 1378 C VAL A 91 16.113 -4.287 -1.924 1.00 0.00 C ATOM 1379 O VAL A 91 17.291 -4.634 -1.982 1.00 0.00 O ATOM 1380 CB VAL A 91 15.349 -1.993 -2.512 1.00 0.00 C ATOM 1381 CG1 VAL A 91 16.557 -1.571 -1.657 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.130 -0.881 -3.551 1.00 0.00 C ATOM 0 H VAL A 91 13.568 -3.231 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 91 16.355 -3.409 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 91 14.398 -2.067 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.412 -0.551 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.652 -2.244 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.464 -1.619 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.984 0.071 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.002 -0.813 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.248 -1.111 -4.150 1.00 0.00 H new ATOM 1392 N PHE A 92 15.306 -4.775 -0.964 1.00 0.00 N ATOM 1393 CA PHE A 92 15.682 -5.668 0.088 1.00 0.00 C ATOM 1394 C PHE A 92 16.080 -6.997 -0.456 1.00 0.00 C ATOM 1395 O PHE A 92 17.102 -7.539 -0.038 1.00 0.00 O ATOM 1396 CB PHE A 92 14.496 -5.897 1.041 1.00 0.00 C ATOM 1397 CG PHE A 92 14.137 -4.647 1.768 1.00 0.00 C ATOM 1398 CD1 PHE A 92 15.089 -3.741 2.171 1.00 0.00 C ATOM 1399 CD2 PHE A 92 12.816 -4.352 2.014 1.00 0.00 C ATOM 1400 CE1 PHE A 92 14.743 -2.555 2.777 1.00 0.00 C ATOM 1401 CE2 PHE A 92 12.506 -3.132 2.567 1.00 0.00 C ATOM 1402 CZ PHE A 92 13.430 -2.199 2.974 1.00 0.00 C ATOM 0 H PHE A 92 14.318 -4.526 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 92 16.521 -5.213 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.635 -6.251 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.749 -6.678 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 92 16.133 -3.965 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.039 -5.064 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.524 -1.886 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.461 -2.889 2.691 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.145 -1.256 3.416 1.00 0.00 H new ATOM 1412 N ASP A 93 15.348 -7.608 -1.405 1.00 0.00 N ATOM 1413 CA ASP A 93 15.779 -8.844 -1.981 1.00 0.00 C ATOM 1414 C ASP A 93 17.058 -8.747 -2.739 1.00 0.00 C ATOM 1415 O ASP A 93 17.287 -7.839 -3.537 1.00 0.00 O ATOM 1416 CB ASP A 93 14.636 -9.353 -2.876 1.00 0.00 C ATOM 1417 CG ASP A 93 14.855 -10.823 -3.205 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.116 -11.597 -2.247 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.783 -11.133 -4.424 1.00 0.00 O ATOM 0 H ASP A 93 14.466 -7.250 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 93 15.997 -9.545 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.680 -9.223 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.593 -8.768 -3.795 1.00 0.00 H new ATOM 1424 N LYS A 94 18.028 -9.603 -2.370 1.00 0.00 N ATOM 1425 CA LYS A 94 19.393 -9.590 -2.795 1.00 0.00 C ATOM 1426 C LYS A 94 19.715 -10.304 -4.063 1.00 0.00 C ATOM 1427 O LYS A 94 20.369 -9.732 -4.934 1.00 0.00 O ATOM 1428 CB LYS A 94 20.320 -10.111 -1.684 1.00 0.00 C ATOM 1429 CG LYS A 94 21.818 -9.890 -1.905 1.00 0.00 C ATOM 1430 CD LYS A 94 22.802 -10.160 -0.764 1.00 0.00 C ATOM 1431 CE LYS A 94 24.266 -10.246 -1.200 1.00 0.00 C ATOM 1432 NZ LYS A 94 24.932 -8.942 -1.415 1.00 0.00 N ATOM 0 H LYS A 94 17.840 -10.367 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 94 19.566 -8.536 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.036 -9.632 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.144 -11.180 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.118 -10.513 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.952 -8.853 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.703 -9.370 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.525 -11.094 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 94 24.822 -10.801 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 94 24.321 -10.822 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 25.918 -9.100 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.431 -8.414 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 24.916 -8.394 -0.531 1.00 0.00 H new ATOM 1446 N ASP A 95 19.286 -11.577 -4.117 1.00 0.00 N ATOM 1447 CA ASP A 95 19.627 -12.431 -5.212 1.00 0.00 C ATOM 1448 C ASP A 95 18.739 -12.259 -6.396 1.00 0.00 C ATOM 1449 O ASP A 95 19.065 -12.629 -7.523 1.00 0.00 O ATOM 1450 CB ASP A 95 19.543 -13.799 -4.514 1.00 0.00 C ATOM 1451 CG ASP A 95 18.170 -14.297 -4.086 1.00 0.00 C ATOM 1452 OD1 ASP A 95 17.093 -13.807 -4.519 1.00 0.00 O ATOM 1453 OD2 ASP A 95 18.229 -15.118 -3.132 1.00 0.00 O ATOM 0 H ASP A 95 18.704 -12.015 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 95 20.595 -12.239 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.975 -14.543 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 95 20.176 -13.762 -3.628 1.00 0.00 H new ATOM 1458 N GLY A 96 17.627 -11.524 -6.216 1.00 0.00 N ATOM 1459 CA GLY A 96 16.694 -11.198 -7.249 1.00 0.00 C ATOM 1460 C GLY A 96 15.721 -12.263 -7.619 1.00 0.00 C ATOM 1461 O GLY A 96 15.192 -12.224 -8.729 1.00 0.00 O ATOM 0 H GLY A 96 17.367 -11.139 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.134 -10.316 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.255 -10.922 -8.142 1.00 0.00 H new ATOM 1465 N ASN A 97 15.288 -13.151 -6.705 1.00 0.00 N ATOM 1466 CA ASN A 97 14.471 -14.271 -7.054 1.00 0.00 C ATOM 1467 C ASN A 97 13.057 -14.099 -6.616 1.00 0.00 C ATOM 1468 O ASN A 97 12.171 -14.817 -7.077 1.00 0.00 O ATOM 1469 CB ASN A 97 14.991 -15.558 -6.390 1.00 0.00 C ATOM 1470 CG ASN A 97 14.849 -15.695 -4.881 1.00 0.00 C ATOM 1471 OD1 ASN A 97 14.412 -14.918 -4.033 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.415 -16.857 -4.460 1.00 0.00 N ATOM 0 H ASN A 97 15.508 -13.090 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 97 14.515 -14.341 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.477 -16.402 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.048 -15.656 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.469 -17.066 -3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.786 -17.520 -5.141 1.00 0.00 H new ATOM 1479 N GLY A 98 12.752 -13.073 -5.802 1.00 0.00 N ATOM 1480 CA GLY A 98 11.404 -12.734 -5.466 1.00 0.00 C ATOM 1481 C GLY A 98 10.980 -12.959 -4.056 1.00 0.00 C ATOM 1482 O GLY A 98 9.976 -12.475 -3.535 1.00 0.00 O ATOM 0 H GLY A 98 13.452 -12.469 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.251 -11.681 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.740 -13.305 -6.114 1.00 0.00 H new ATOM 1486 N TYR A 99 11.809 -13.746 -3.348 1.00 0.00 N ATOM 1487 CA TYR A 99 11.507 -14.242 -2.041 1.00 0.00 C ATOM 1488 C TYR A 99 12.650 -13.932 -1.136 1.00 0.00 C ATOM 1489 O TYR A 99 13.809 -14.226 -1.425 1.00 0.00 O ATOM 1490 CB TYR A 99 11.475 -15.779 -2.102 1.00 0.00 C ATOM 1491 CG TYR A 99 10.595 -16.248 -3.209 1.00 0.00 C ATOM 1492 CD1 TYR A 99 11.059 -16.421 -4.492 1.00 0.00 C ATOM 1493 CD2 TYR A 99 9.286 -16.585 -2.958 1.00 0.00 C ATOM 1494 CE1 TYR A 99 10.241 -16.890 -5.493 1.00 0.00 C ATOM 1495 CE2 TYR A 99 8.480 -17.064 -3.963 1.00 0.00 C ATOM 1496 CZ TYR A 99 8.935 -17.244 -5.248 1.00 0.00 C ATOM 1497 OH TYR A 99 8.052 -17.631 -6.279 1.00 0.00 O ATOM 0 H TYR A 99 12.719 -14.047 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 99 10.568 -13.806 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.485 -16.162 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.116 -16.177 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.088 -16.183 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.887 -16.472 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.633 -16.982 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.453 -17.308 -3.735 1.00 0.00 H new ATOM 0 HH TYR A 99 7.175 -17.843 -5.896 1.00 0.00 H new ATOM 1507 N ILE A 100 12.462 -13.255 0.011 1.00 0.00 N ATOM 1508 CA ILE A 100 13.497 -12.701 0.827 1.00 0.00 C ATOM 1509 C ILE A 100 13.870 -13.729 1.839 1.00 0.00 C ATOM 1510 O ILE A 100 13.093 -13.985 2.757 1.00 0.00 O ATOM 1511 CB ILE A 100 13.211 -11.426 1.563 1.00 0.00 C ATOM 1512 CG1 ILE A 100 12.471 -10.390 0.699 1.00 0.00 C ATOM 1513 CG2 ILE A 100 14.490 -10.786 2.129 1.00 0.00 C ATOM 1514 CD1 ILE A 100 12.055 -9.180 1.534 1.00 0.00 C ATOM 0 H ILE A 100 11.531 -13.085 0.391 1.00 0.00 H new ATOM 0 HA ILE A 100 14.281 -12.433 0.119 1.00 0.00 H new ATOM 0 HB ILE A 100 12.559 -11.714 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.114 -10.068 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.589 -10.848 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 100 14.235 -9.865 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 100 14.967 -11.478 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 100 15.176 -10.560 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.534 -8.462 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.393 -9.503 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.941 -8.710 1.961 1.00 0.00 H new ATOM 1526 N SER A 101 15.004 -14.441 1.714 1.00 0.00 N ATOM 1527 CA SER A 101 15.394 -15.416 2.684 1.00 0.00 C ATOM 1528 C SER A 101 15.727 -14.730 3.964 1.00 0.00 C ATOM 1529 O SER A 101 15.955 -13.524 4.049 1.00 0.00 O ATOM 1530 CB SER A 101 16.551 -16.304 2.196 1.00 0.00 C ATOM 1531 OG SER A 101 17.725 -15.552 1.924 1.00 0.00 O ATOM 0 H SER A 101 15.655 -14.340 0.935 1.00 0.00 H new ATOM 0 HA SER A 101 14.554 -16.091 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.771 -17.059 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.244 -16.835 1.295 1.00 0.00 H new ATOM 0 HG SER A 101 17.588 -15.011 1.118 1.00 0.00 H new ATOM 1537 N ALA A 102 15.652 -15.426 5.112 1.00 0.00 N ATOM 1538 CA ALA A 102 16.051 -15.033 6.428 1.00 0.00 C ATOM 1539 C ALA A 102 17.348 -14.312 6.570 1.00 0.00 C ATOM 1540 O ALA A 102 17.513 -13.339 7.304 1.00 0.00 O ATOM 1541 CB ALA A 102 16.045 -16.259 7.356 1.00 0.00 C ATOM 0 H ALA A 102 15.268 -16.371 5.115 1.00 0.00 H new ATOM 0 HA ALA A 102 15.307 -14.287 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 102 16.349 -15.958 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.041 -16.682 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.740 -17.007 6.975 1.00 0.00 H new ATOM 1547 N ALA A 103 18.394 -14.820 5.894 1.00 0.00 N ATOM 1548 CA ALA A 103 19.700 -14.245 5.804 1.00 0.00 C ATOM 1549 C ALA A 103 19.766 -13.000 4.988 1.00 0.00 C ATOM 1550 O ALA A 103 20.613 -12.150 5.258 1.00 0.00 O ATOM 1551 CB ALA A 103 20.797 -15.214 5.331 1.00 0.00 C ATOM 0 H ALA A 103 18.320 -15.694 5.374 1.00 0.00 H new ATOM 0 HA ALA A 103 19.905 -13.987 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 103 21.753 -14.691 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 103 20.868 -16.050 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 103 20.548 -15.588 4.338 1.00 0.00 H new ATOM 1557 N GLU A 104 18.893 -12.814 3.982 1.00 0.00 N ATOM 1558 CA GLU A 104 18.789 -11.585 3.259 1.00 0.00 C ATOM 1559 C GLU A 104 18.059 -10.589 4.093 1.00 0.00 C ATOM 1560 O GLU A 104 18.611 -9.555 4.464 1.00 0.00 O ATOM 1561 CB GLU A 104 17.989 -11.761 1.958 1.00 0.00 C ATOM 1562 CG GLU A 104 18.685 -12.583 0.871 1.00 0.00 C ATOM 1563 CD GLU A 104 17.786 -12.941 -0.304 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.926 -13.850 -0.156 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.881 -12.364 -1.420 1.00 0.00 O ATOM 0 H GLU A 104 18.245 -13.534 3.664 1.00 0.00 H new ATOM 0 HA GLU A 104 19.801 -11.255 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.037 -12.236 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.760 -10.775 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.544 -12.024 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.069 -13.502 1.314 1.00 0.00 H new ATOM 1572 N LEU A 105 16.866 -10.920 4.619 1.00 0.00 N ATOM 1573 CA LEU A 105 16.055 -10.074 5.440 1.00 0.00 C ATOM 1574 C LEU A 105 16.729 -9.707 6.717 1.00 0.00 C ATOM 1575 O LEU A 105 16.466 -8.627 7.244 1.00 0.00 O ATOM 1576 CB LEU A 105 14.768 -10.862 5.736 1.00 0.00 C ATOM 1577 CG LEU A 105 13.612 -10.124 6.432 1.00 0.00 C ATOM 1578 CD1 LEU A 105 12.682 -9.405 5.440 1.00 0.00 C ATOM 1579 CD2 LEU A 105 12.721 -11.021 7.309 1.00 0.00 C ATOM 0 H LEU A 105 16.442 -11.834 4.461 1.00 0.00 H new ATOM 0 HA LEU A 105 15.856 -9.137 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 105 14.392 -11.255 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.036 -11.719 6.353 1.00 0.00 H new ATOM 0 HG LEU A 105 14.132 -9.407 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.885 -8.902 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.253 -8.670 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.248 -10.133 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.932 -10.420 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.274 -11.802 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.324 -11.477 8.094 1.00 0.00 H new ATOM 1591 N ARG A 106 17.685 -10.472 7.273 1.00 0.00 N ATOM 1592 CA ARG A 106 18.397 -10.075 8.448 1.00 0.00 C ATOM 1593 C ARG A 106 19.277 -8.914 8.134 1.00 0.00 C ATOM 1594 O ARG A 106 19.177 -7.897 8.819 1.00 0.00 O ATOM 1595 CB ARG A 106 19.155 -11.229 9.127 1.00 0.00 C ATOM 1596 CG ARG A 106 20.041 -10.815 10.304 1.00 0.00 C ATOM 1597 CD ARG A 106 20.437 -11.894 11.314 1.00 0.00 C ATOM 1598 NE ARG A 106 20.903 -11.185 12.539 1.00 0.00 N ATOM 1599 CZ ARG A 106 21.884 -11.608 13.387 1.00 0.00 C ATOM 1600 NH1 ARG A 106 22.365 -12.882 13.282 1.00 0.00 N ATOM 1601 NH2 ARG A 106 22.267 -10.838 14.447 1.00 0.00 N ATOM 0 H ARG A 106 17.968 -11.379 6.902 1.00 0.00 H new ATOM 0 HA ARG A 106 17.662 -9.763 9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 106 18.430 -11.964 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 106 19.776 -11.725 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.956 -10.384 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 106 19.528 -10.021 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.590 -12.541 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 106 21.226 -12.530 10.912 1.00 0.00 H new ATOM 0 HE ARG A 106 20.446 -10.301 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 106 21.991 -13.512 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.099 -13.204 13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 106 21.818 -9.937 14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 106 23.002 -11.164 15.075 1.00 0.00 H new ATOM 1615 N HIS A 107 20.116 -9.046 7.092 1.00 0.00 N ATOM 1616 CA HIS A 107 20.932 -7.943 6.690 1.00 0.00 C ATOM 1617 C HIS A 107 20.272 -6.676 6.266 1.00 0.00 C ATOM 1618 O HIS A 107 20.718 -5.581 6.606 1.00 0.00 O ATOM 1619 CB HIS A 107 21.840 -8.470 5.567 1.00 0.00 C ATOM 1620 CG HIS A 107 22.708 -7.411 4.954 1.00 0.00 C ATOM 1621 ND1 HIS A 107 23.947 -6.974 5.376 1.00 0.00 N ATOM 1622 CD2 HIS A 107 22.528 -6.786 3.759 1.00 0.00 C ATOM 1623 CE1 HIS A 107 24.377 -6.034 4.492 1.00 0.00 C ATOM 1624 NE2 HIS A 107 23.566 -5.928 3.456 1.00 0.00 N ATOM 0 H HIS A 107 20.229 -9.895 6.539 1.00 0.00 H new ATOM 0 HA HIS A 107 21.452 -7.619 7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 107 22.474 -9.263 5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 107 21.221 -8.917 4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.671 -6.943 3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 107 25.273 -5.446 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 107 23.680 -5.347 2.625 1.00 0.00 H new ATOM 1632 N VAL A 108 19.238 -6.780 5.411 1.00 0.00 N ATOM 1633 CA VAL A 108 18.735 -5.568 4.845 1.00 0.00 C ATOM 1634 C VAL A 108 17.799 -4.862 5.764 1.00 0.00 C ATOM 1635 O VAL A 108 17.586 -3.655 5.660 1.00 0.00 O ATOM 1636 CB VAL A 108 18.091 -5.702 3.497 1.00 0.00 C ATOM 1637 CG1 VAL A 108 19.195 -5.581 2.433 1.00 0.00 C ATOM 1638 CG2 VAL A 108 17.335 -7.028 3.304 1.00 0.00 C ATOM 0 H VAL A 108 18.775 -7.643 5.126 1.00 0.00 H new ATOM 0 HA VAL A 108 19.638 -4.975 4.699 1.00 0.00 H new ATOM 0 HB VAL A 108 17.345 -4.913 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 108 18.755 -5.675 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 108 19.683 -4.610 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 108 19.931 -6.372 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.896 -7.054 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 108 18.028 -7.862 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 108 16.545 -7.109 4.051 1.00 0.00 H new ATOM 1648 N MET A 109 17.099 -5.614 6.632 1.00 0.00 N ATOM 1649 CA MET A 109 16.275 -4.942 7.588 1.00 0.00 C ATOM 1650 C MET A 109 16.948 -4.517 8.849 1.00 0.00 C ATOM 1651 O MET A 109 16.531 -3.622 9.582 1.00 0.00 O ATOM 1652 CB MET A 109 15.024 -5.768 7.931 1.00 0.00 C ATOM 1653 CG MET A 109 14.287 -6.311 6.705 1.00 0.00 C ATOM 1654 SD MET A 109 13.432 -5.155 5.593 1.00 0.00 S ATOM 1655 CE MET A 109 12.129 -4.455 6.648 1.00 0.00 C ATOM 0 H MET A 109 17.099 -6.633 6.675 1.00 0.00 H new ATOM 0 HA MET A 109 16.001 -4.019 7.077 1.00 0.00 H new ATOM 0 HB2 MET A 109 15.315 -6.603 8.568 1.00 0.00 H new ATOM 0 HB3 MET A 109 14.339 -5.149 8.510 1.00 0.00 H new ATOM 0 HG2 MET A 109 15.011 -6.865 6.107 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.549 -7.030 7.059 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.479 -3.818 6.049 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.542 -5.263 7.086 1.00 0.00 H new ATOM 0 HE3 MET A 109 12.583 -3.864 7.443 1.00 0.00 H new ATOM 1665 N THR A 110 18.142 -5.068 9.130 1.00 0.00 N ATOM 1666 CA THR A 110 19.046 -4.611 10.139 1.00 0.00 C ATOM 1667 C THR A 110 19.642 -3.320 9.693 1.00 0.00 C ATOM 1668 O THR A 110 19.708 -2.276 10.340 1.00 0.00 O ATOM 1669 CB THR A 110 20.162 -5.564 10.449 1.00 0.00 C ATOM 1670 OG1 THR A 110 19.692 -6.717 11.131 1.00 0.00 O ATOM 1671 CG2 THR A 110 21.215 -5.061 11.451 1.00 0.00 C ATOM 0 H THR A 110 18.496 -5.879 8.623 1.00 0.00 H new ATOM 0 HA THR A 110 18.460 -4.509 11.053 1.00 0.00 H new ATOM 0 HB THR A 110 20.581 -5.725 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 110 19.404 -7.389 10.478 1.00 0.00 H new ATOM 0 HG21 THR A 110 21.973 -5.830 11.600 1.00 0.00 H new ATOM 0 HG22 THR A 110 21.686 -4.158 11.062 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.734 -4.837 12.403 1.00 0.00 H new ATOM 1679 N ASN A 111 19.980 -3.166 8.400 1.00 0.00 N ATOM 1680 CA ASN A 111 20.464 -1.912 7.910 1.00 0.00 C ATOM 1681 C ASN A 111 19.414 -0.878 7.692 1.00 0.00 C ATOM 1682 O ASN A 111 19.741 0.305 7.619 1.00 0.00 O ATOM 1683 CB ASN A 111 21.161 -2.051 6.546 1.00 0.00 C ATOM 1684 CG ASN A 111 22.537 -2.685 6.689 1.00 0.00 C ATOM 1685 OD1 ASN A 111 23.263 -2.322 7.613 1.00 0.00 O ATOM 1686 ND2 ASN A 111 22.852 -3.719 5.864 1.00 0.00 N ATOM 0 H ASN A 111 19.919 -3.904 7.698 1.00 0.00 H new ATOM 0 HA ASN A 111 21.142 -1.599 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 111 20.546 -2.658 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.257 -1.069 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.724 -4.231 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.216 -3.982 5.111 1.00 0.00 H new ATOM 1693 N LEU A 112 18.134 -1.264 7.545 1.00 0.00 N ATOM 1694 CA LEU A 112 16.952 -0.459 7.513 1.00 0.00 C ATOM 1695 C LEU A 112 16.712 0.284 8.782 1.00 0.00 C ATOM 1696 O LEU A 112 16.506 1.492 8.678 1.00 0.00 O ATOM 1697 CB LEU A 112 15.649 -1.149 7.075 1.00 0.00 C ATOM 1698 CG LEU A 112 14.587 -0.165 6.554 1.00 0.00 C ATOM 1699 CD1 LEU A 112 15.047 0.385 5.194 1.00 0.00 C ATOM 1700 CD2 LEU A 112 13.213 -0.853 6.493 1.00 0.00 C ATOM 0 H LEU A 112 17.905 -2.252 7.437 1.00 0.00 H new ATOM 0 HA LEU A 112 17.199 0.238 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.875 -1.876 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.238 -1.704 7.918 1.00 0.00 H new ATOM 0 HG LEU A 112 14.476 0.680 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.302 1.084 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.000 0.900 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 112 15.165 -0.438 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.469 -0.148 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.265 -1.711 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.930 -1.189 7.490 1.00 0.00 H new ATOM 1712 N GLY A 113 16.680 -0.276 10.004 1.00 0.00 N ATOM 1713 CA GLY A 113 16.661 0.659 11.085 1.00 0.00 C ATOM 1714 C GLY A 113 16.548 0.062 12.446 1.00 0.00 C ATOM 1715 O GLY A 113 17.273 0.482 13.346 1.00 0.00 O ATOM 0 H GLY A 113 16.668 -1.270 10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 113 17.572 1.255 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.825 1.343 10.936 1.00 0.00 H new ATOM 1719 N GLU A 114 15.710 -0.980 12.585 1.00 0.00 N ATOM 1720 CA GLU A 114 15.695 -1.754 13.787 1.00 0.00 C ATOM 1721 C GLU A 114 16.619 -2.910 13.612 1.00 0.00 C ATOM 1722 O GLU A 114 16.552 -3.741 12.707 1.00 0.00 O ATOM 1723 CB GLU A 114 14.270 -2.238 14.106 1.00 0.00 C ATOM 1724 CG GLU A 114 13.153 -1.194 14.056 1.00 0.00 C ATOM 1725 CD GLU A 114 11.833 -1.587 14.704 1.00 0.00 C ATOM 1726 OE1 GLU A 114 11.814 -1.769 15.951 1.00 0.00 O ATOM 1727 OE2 GLU A 114 10.819 -1.566 13.957 1.00 0.00 O ATOM 0 H GLU A 114 15.048 -1.285 11.872 1.00 0.00 H new ATOM 0 HA GLU A 114 16.025 -1.141 14.626 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.019 -3.036 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.277 -2.678 15.103 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.513 -0.285 14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.961 -0.948 13.012 1.00 0.00 H new ATOM 1734 N LYS A 115 17.687 -3.051 14.416 1.00 0.00 N ATOM 1735 CA LYS A 115 18.656 -4.103 14.411 1.00 0.00 C ATOM 1736 C LYS A 115 18.083 -5.373 14.940 1.00 0.00 C ATOM 1737 O LYS A 115 17.405 -5.275 15.961 1.00 0.00 O ATOM 1738 CB LYS A 115 19.946 -3.739 15.165 1.00 0.00 C ATOM 1739 CG LYS A 115 20.749 -2.614 14.510 1.00 0.00 C ATOM 1740 CD LYS A 115 22.006 -2.281 15.317 1.00 0.00 C ATOM 1741 CE LYS A 115 22.883 -1.141 14.797 1.00 0.00 C ATOM 1742 NZ LYS A 115 22.212 0.178 14.845 1.00 0.00 N ATOM 0 H LYS A 115 17.890 -2.361 15.139 1.00 0.00 H new ATOM 0 HA LYS A 115 18.931 -4.251 13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.690 -3.445 16.183 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.575 -4.626 15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.031 -2.908 13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.126 -1.724 14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.701 -2.036 16.334 1.00 0.00 H new ATOM 0 HD3 LYS A 115 22.619 -3.180 15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 115 23.799 -1.097 15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 115 23.175 -1.356 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.856 0.909 14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.352 0.151 14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.956 0.402 15.828 1.00 0.00 H new ATOM 1756 N LEU A 116 18.305 -6.515 14.266 1.00 0.00 N ATOM 1757 CA LEU A 116 17.620 -7.763 14.402 1.00 0.00 C ATOM 1758 C LEU A 116 18.564 -8.848 14.795 1.00 0.00 C ATOM 1759 O LEU A 116 19.583 -9.116 14.161 1.00 0.00 O ATOM 1760 CB LEU A 116 16.912 -8.251 13.126 1.00 0.00 C ATOM 1761 CG LEU A 116 15.832 -7.250 12.685 1.00 0.00 C ATOM 1762 CD1 LEU A 116 15.290 -7.663 11.306 1.00 0.00 C ATOM 1763 CD2 LEU A 116 14.717 -7.212 13.743 1.00 0.00 C ATOM 0 H LEU A 116 19.036 -6.567 13.557 1.00 0.00 H new ATOM 0 HA LEU A 116 16.867 -7.564 15.165 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.642 -8.381 12.327 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.459 -9.226 13.306 1.00 0.00 H new ATOM 0 HG LEU A 116 16.252 -6.248 12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.524 -6.956 10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.104 -7.665 10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.858 -8.662 11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.948 -6.503 13.436 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.277 -8.204 13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.135 -6.901 14.701 1.00 0.00 H new ATOM 1775 N THR A 117 18.229 -9.579 15.873 1.00 0.00 N ATOM 1776 CA THR A 117 18.877 -10.826 16.137 1.00 0.00 C ATOM 1777 C THR A 117 18.258 -11.857 15.257 1.00 0.00 C ATOM 1778 O THR A 117 17.084 -11.822 14.890 1.00 0.00 O ATOM 1779 CB THR A 117 18.770 -11.253 17.572 1.00 0.00 C ATOM 1780 OG1 THR A 117 17.389 -11.275 17.901 1.00 0.00 O ATOM 1781 CG2 THR A 117 19.529 -10.336 18.546 1.00 0.00 C ATOM 0 H THR A 117 17.519 -9.311 16.554 1.00 0.00 H new ATOM 0 HA THR A 117 19.941 -10.708 15.932 1.00 0.00 H new ATOM 0 HB THR A 117 19.233 -12.234 17.675 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.279 -11.552 18.835 1.00 0.00 H new ATOM 0 HG21 THR A 117 19.407 -10.706 19.564 1.00 0.00 H new ATOM 0 HG22 THR A 117 20.588 -10.328 18.288 1.00 0.00 H new ATOM 0 HG23 THR A 117 19.131 -9.324 18.478 1.00 0.00 H new ATOM 1789 N ASP A 118 18.955 -12.946 14.886 1.00 0.00 N ATOM 1790 CA ASP A 118 18.396 -13.970 14.059 1.00 0.00 C ATOM 1791 C ASP A 118 17.198 -14.793 14.387 1.00 0.00 C ATOM 1792 O ASP A 118 16.375 -15.159 13.549 1.00 0.00 O ATOM 1793 CB ASP A 118 19.493 -14.997 13.733 1.00 0.00 C ATOM 1794 CG ASP A 118 19.949 -15.740 14.981 1.00 0.00 C ATOM 1795 OD1 ASP A 118 20.585 -15.120 15.875 1.00 0.00 O ATOM 1796 OD2 ASP A 118 19.758 -16.985 14.971 1.00 0.00 O ATOM 0 H ASP A 118 19.921 -13.118 15.164 1.00 0.00 H new ATOM 0 HA ASP A 118 18.001 -13.308 13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 118 19.118 -15.711 13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 118 20.344 -14.490 13.278 1.00 0.00 H new ATOM 1801 N GLU A 119 17.000 -14.876 15.715 1.00 0.00 N ATOM 1802 CA GLU A 119 15.868 -15.367 16.437 1.00 0.00 C ATOM 1803 C GLU A 119 14.694 -14.471 16.235 1.00 0.00 C ATOM 1804 O GLU A 119 13.562 -14.923 16.074 1.00 0.00 O ATOM 1805 CB GLU A 119 16.113 -15.645 17.930 1.00 0.00 C ATOM 1806 CG GLU A 119 14.979 -16.492 18.511 1.00 0.00 C ATOM 1807 CD GLU A 119 15.183 -16.616 20.015 1.00 0.00 C ATOM 1808 OE1 GLU A 119 16.219 -17.196 20.438 1.00 0.00 O ATOM 1809 OE2 GLU A 119 14.217 -16.386 20.790 1.00 0.00 O ATOM 0 H GLU A 119 17.726 -14.558 16.357 1.00 0.00 H new ATOM 0 HA GLU A 119 15.658 -16.349 16.013 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.064 -16.163 18.058 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.187 -14.703 18.474 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.015 -16.030 18.297 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.969 -17.479 18.048 1.00 0.00 H new ATOM 1816 N GLU A 120 14.905 -13.144 16.283 1.00 0.00 N ATOM 1817 CA GLU A 120 13.958 -12.127 15.946 1.00 0.00 C ATOM 1818 C GLU A 120 13.508 -12.208 14.527 1.00 0.00 C ATOM 1819 O GLU A 120 12.312 -12.448 14.371 1.00 0.00 O ATOM 1820 CB GLU A 120 14.449 -10.695 16.216 1.00 0.00 C ATOM 1821 CG GLU A 120 13.369 -9.617 16.105 1.00 0.00 C ATOM 1822 CD GLU A 120 12.410 -9.488 17.281 1.00 0.00 C ATOM 1823 OE1 GLU A 120 12.243 -10.430 18.101 1.00 0.00 O ATOM 1824 OE2 GLU A 120 11.937 -8.345 17.519 1.00 0.00 O ATOM 0 H GLU A 120 15.801 -12.755 16.578 1.00 0.00 H new ATOM 0 HA GLU A 120 13.120 -12.331 16.612 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.881 -10.656 17.216 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.250 -10.462 15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.861 -8.655 15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.783 -9.813 15.207 1.00 0.00 H new ATOM 1831 N VAL A 121 14.495 -12.269 13.615 1.00 0.00 N ATOM 1832 CA VAL A 121 14.257 -12.697 12.271 1.00 0.00 C ATOM 1833 C VAL A 121 13.361 -13.882 12.155 1.00 0.00 C ATOM 1834 O VAL A 121 12.217 -13.744 11.725 1.00 0.00 O ATOM 1835 CB VAL A 121 15.530 -12.771 11.480 1.00 0.00 C ATOM 1836 CG1 VAL A 121 15.302 -13.163 10.010 1.00 0.00 C ATOM 1837 CG2 VAL A 121 16.223 -11.399 11.544 1.00 0.00 C ATOM 0 H VAL A 121 15.465 -12.020 13.810 1.00 0.00 H new ATOM 0 HA VAL A 121 13.665 -11.917 11.792 1.00 0.00 H new ATOM 0 HB VAL A 121 16.151 -13.551 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 121 16.260 -13.200 9.490 1.00 0.00 H new ATOM 0 HG12 VAL A 121 14.827 -14.143 9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 121 14.658 -12.425 9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 121 17.151 -11.433 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 121 15.566 -10.639 11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 121 16.444 -11.151 12.582 1.00 0.00 H new ATOM 1847 N ASP A 122 13.715 -15.069 12.679 1.00 0.00 N ATOM 1848 CA ASP A 122 12.953 -16.276 12.772 1.00 0.00 C ATOM 1849 C ASP A 122 11.546 -16.119 13.236 1.00 0.00 C ATOM 1850 O ASP A 122 10.570 -16.487 12.583 1.00 0.00 O ATOM 1851 CB ASP A 122 13.687 -17.461 13.420 1.00 0.00 C ATOM 1852 CG ASP A 122 15.009 -17.875 12.789 1.00 0.00 C ATOM 1853 OD1 ASP A 122 15.182 -17.770 11.546 1.00 0.00 O ATOM 1854 OD2 ASP A 122 15.821 -18.402 13.596 1.00 0.00 O ATOM 0 H ASP A 122 14.643 -15.193 13.083 1.00 0.00 H new ATOM 0 HA ASP A 122 12.850 -16.556 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.871 -17.216 14.466 1.00 0.00 H new ATOM 0 HB3 ASP A 122 13.019 -18.323 13.407 1.00 0.00 H new ATOM 1859 N GLU A 123 11.456 -15.459 14.405 1.00 0.00 N ATOM 1860 CA GLU A 123 10.153 -15.073 14.851 1.00 0.00 C ATOM 1861 C GLU A 123 9.300 -14.143 14.058 1.00 0.00 C ATOM 1862 O GLU A 123 8.070 -14.148 14.058 1.00 0.00 O ATOM 1863 CB GLU A 123 10.209 -14.562 16.300 1.00 0.00 C ATOM 1864 CG GLU A 123 8.825 -14.259 16.879 1.00 0.00 C ATOM 1865 CD GLU A 123 8.820 -14.282 18.401 1.00 0.00 C ATOM 1866 OE1 GLU A 123 9.453 -13.386 19.020 1.00 0.00 O ATOM 1867 OE2 GLU A 123 8.168 -15.200 18.966 1.00 0.00 O ATOM 0 H GLU A 123 12.236 -15.204 15.011 1.00 0.00 H new ATOM 0 HA GLU A 123 9.634 -16.022 14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.703 -15.307 16.924 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.819 -13.659 16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.494 -13.280 16.531 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.108 -14.990 16.504 1.00 0.00 H new ATOM 1874 N MET A 124 9.910 -13.248 13.261 1.00 0.00 N ATOM 1875 CA MET A 124 9.314 -12.256 12.421 1.00 0.00 C ATOM 1876 C MET A 124 8.717 -12.869 11.201 1.00 0.00 C ATOM 1877 O MET A 124 7.658 -12.386 10.802 1.00 0.00 O ATOM 1878 CB MET A 124 10.288 -11.175 11.922 1.00 0.00 C ATOM 1879 CG MET A 124 10.408 -10.080 12.983 1.00 0.00 C ATOM 1880 SD MET A 124 11.720 -8.938 12.456 1.00 0.00 S ATOM 1881 CE MET A 124 11.329 -8.333 10.789 1.00 0.00 C ATOM 0 H MET A 124 10.928 -13.219 13.201 1.00 0.00 H new ATOM 0 HA MET A 124 8.565 -11.792 13.062 1.00 0.00 H new ATOM 0 HB2 MET A 124 11.266 -11.613 11.722 1.00 0.00 H new ATOM 0 HB3 MET A 124 9.931 -10.751 10.983 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.462 -9.550 13.094 1.00 0.00 H new ATOM 0 HG3 MET A 124 10.646 -10.514 13.954 1.00 0.00 H new ATOM 0 HE1 MET A 124 12.049 -7.567 10.502 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.378 -9.160 10.081 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.325 -7.908 10.782 1.00 0.00 H new ATOM 1891 N ILE A 125 9.388 -13.883 10.625 1.00 0.00 N ATOM 1892 CA ILE A 125 9.136 -14.573 9.398 1.00 0.00 C ATOM 1893 C ILE A 125 8.043 -15.526 9.738 1.00 0.00 C ATOM 1894 O ILE A 125 6.973 -15.409 9.142 1.00 0.00 O ATOM 1895 CB ILE A 125 10.435 -15.169 8.944 1.00 0.00 C ATOM 1896 CG1 ILE A 125 11.430 -14.042 8.620 1.00 0.00 C ATOM 1897 CG2 ILE A 125 10.205 -16.078 7.725 1.00 0.00 C ATOM 1898 CD1 ILE A 125 12.834 -14.580 8.349 1.00 0.00 C ATOM 0 H ILE A 125 10.215 -14.265 11.084 1.00 0.00 H new ATOM 0 HA ILE A 125 8.802 -13.973 8.551 1.00 0.00 H new ATOM 0 HB ILE A 125 10.855 -15.783 9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 125 11.080 -13.488 7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.465 -13.339 9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 125 11.156 -16.505 7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.519 -16.881 7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.777 -15.493 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 125 13.504 -13.750 8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 125 13.196 -15.111 9.229 1.00 0.00 H new ATOM 0 HD13 ILE A 125 12.804 -15.263 7.500 1.00 0.00 H new ATOM 1910 N ARG A 126 8.238 -16.479 10.667 1.00 0.00 N ATOM 1911 CA ARG A 126 7.398 -17.531 11.148 1.00 0.00 C ATOM 1912 C ARG A 126 5.995 -17.069 11.346 1.00 0.00 C ATOM 1913 O ARG A 126 5.031 -17.756 11.015 1.00 0.00 O ATOM 1914 CB ARG A 126 7.810 -18.206 12.468 1.00 0.00 C ATOM 1915 CG ARG A 126 8.866 -19.283 12.214 1.00 0.00 C ATOM 1916 CD ARG A 126 9.582 -19.524 13.544 1.00 0.00 C ATOM 1917 NE ARG A 126 8.490 -20.093 14.382 1.00 0.00 N ATOM 1918 CZ ARG A 126 8.503 -20.080 15.747 1.00 0.00 C ATOM 1919 NH1 ARG A 126 9.644 -20.253 16.476 1.00 0.00 N ATOM 1920 NH2 ARG A 126 7.322 -20.093 16.431 1.00 0.00 N ATOM 0 H ARG A 126 9.133 -16.509 11.155 1.00 0.00 H new ATOM 0 HA ARG A 126 7.503 -18.269 10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.203 -17.459 13.158 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.936 -18.651 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.402 -20.201 11.853 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.571 -18.960 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.418 -20.215 13.438 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.982 -18.602 13.965 1.00 0.00 H new ATOM 0 HE ARG A 126 7.690 -20.515 13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.535 -20.400 16.002 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.606 -20.236 17.495 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.438 -20.112 15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.323 -20.083 17.451 1.00 0.00 H new ATOM 1934 N GLU A 127 5.757 -15.871 11.910 1.00 0.00 N ATOM 1935 CA GLU A 127 4.447 -15.332 12.106 1.00 0.00 C ATOM 1936 C GLU A 127 3.608 -15.026 10.913 1.00 0.00 C ATOM 1937 O GLU A 127 2.417 -15.328 10.858 1.00 0.00 O ATOM 1938 CB GLU A 127 4.518 -14.125 13.056 1.00 0.00 C ATOM 1939 CG GLU A 127 3.212 -13.329 13.097 1.00 0.00 C ATOM 1940 CD GLU A 127 3.066 -12.178 14.082 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.071 -11.835 14.761 1.00 0.00 O ATOM 1942 OE2 GLU A 127 2.016 -11.492 13.966 1.00 0.00 O ATOM 0 H GLU A 127 6.501 -15.257 12.241 1.00 0.00 H new ATOM 0 HA GLU A 127 3.902 -16.169 12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.759 -14.472 14.061 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.329 -13.468 12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.043 -12.927 12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.406 -14.035 13.297 1.00 0.00 H new ATOM 1949 N ALA A 128 4.253 -14.507 9.853 1.00 0.00 N ATOM 1950 CA ALA A 128 3.680 -14.079 8.615 1.00 0.00 C ATOM 1951 C ALA A 128 4.002 -15.049 7.530 1.00 0.00 C ATOM 1952 O ALA A 128 3.888 -14.711 6.353 1.00 0.00 O ATOM 1953 CB ALA A 128 4.350 -12.732 8.296 1.00 0.00 C ATOM 0 H ALA A 128 5.265 -14.376 9.866 1.00 0.00 H new ATOM 0 HA ALA A 128 2.595 -14.002 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.957 -12.344 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.141 -12.023 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.427 -12.873 8.208 1.00 0.00 H new ATOM 1959 N ASP A 129 4.454 -16.287 7.800 1.00 0.00 N ATOM 1960 CA ASP A 129 4.951 -17.202 6.821 1.00 0.00 C ATOM 1961 C ASP A 129 3.806 -18.066 6.417 1.00 0.00 C ATOM 1962 O ASP A 129 3.358 -18.949 7.146 1.00 0.00 O ATOM 1963 CB ASP A 129 6.228 -17.992 7.153 1.00 0.00 C ATOM 1964 CG ASP A 129 6.947 -18.548 5.932 1.00 0.00 C ATOM 1965 OD1 ASP A 129 6.338 -18.634 4.832 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.106 -18.983 6.162 1.00 0.00 O ATOM 0 H ASP A 129 4.473 -16.667 8.746 1.00 0.00 H new ATOM 0 HA ASP A 129 5.328 -16.604 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.912 -17.344 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.970 -18.817 7.817 1.00 0.00 H new ATOM 1971 N ILE A 130 3.249 -17.810 5.220 1.00 0.00 N ATOM 1972 CA ILE A 130 2.140 -18.434 4.567 1.00 0.00 C ATOM 1973 C ILE A 130 2.483 -19.731 3.919 1.00 0.00 C ATOM 1974 O ILE A 130 1.697 -20.676 3.860 1.00 0.00 O ATOM 1975 CB ILE A 130 1.392 -17.395 3.785 1.00 0.00 C ATOM 1976 CG1 ILE A 130 0.963 -16.177 4.621 1.00 0.00 C ATOM 1977 CG2 ILE A 130 0.212 -17.963 2.979 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -0.103 -16.513 5.662 1.00 0.00 C ATOM 0 H ILE A 130 3.631 -17.066 4.637 1.00 0.00 H new ATOM 0 HA ILE A 130 1.410 -18.806 5.286 1.00 0.00 H new ATOM 0 HB ILE A 130 2.124 -17.034 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.837 -15.763 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.582 -15.403 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.282 -17.155 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.580 -18.703 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.499 -18.434 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -0.364 -15.613 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.991 -16.900 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.284 -17.266 6.349 1.00 0.00 H new ATOM 1990 N ASP A 131 3.749 -19.820 3.475 1.00 0.00 N ATOM 1991 CA ASP A 131 4.310 -21.101 3.174 1.00 0.00 C ATOM 1992 C ASP A 131 4.748 -21.756 4.438 1.00 0.00 C ATOM 1993 O ASP A 131 4.226 -22.792 4.848 1.00 0.00 O ATOM 1994 CB ASP A 131 5.566 -20.984 2.293 1.00 0.00 C ATOM 1995 CG ASP A 131 5.432 -19.915 1.218 1.00 0.00 C ATOM 1996 OD1 ASP A 131 5.503 -18.713 1.589 1.00 0.00 O ATOM 1997 OD2 ASP A 131 5.318 -20.146 -0.015 1.00 0.00 O ATOM 0 H ASP A 131 4.372 -19.026 3.327 1.00 0.00 H new ATOM 0 HA ASP A 131 3.541 -21.671 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.426 -20.755 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 131 5.764 -21.946 1.820 1.00 0.00 H new ATOM 2002 N GLY A 132 5.763 -21.211 5.132 1.00 0.00 N ATOM 2003 CA GLY A 132 6.421 -21.982 6.141 1.00 0.00 C ATOM 2004 C GLY A 132 7.768 -22.343 5.615 1.00 0.00 C ATOM 2005 O GLY A 132 8.453 -23.239 6.107 1.00 0.00 O ATOM 0 H GLY A 132 6.120 -20.265 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.510 -21.410 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.847 -22.879 6.375 1.00 0.00 H new ATOM 2009 N ASP A 133 8.308 -21.662 4.589 1.00 0.00 N ATOM 2010 CA ASP A 133 9.555 -21.949 3.951 1.00 0.00 C ATOM 2011 C ASP A 133 10.795 -21.332 4.499 1.00 0.00 C ATOM 2012 O ASP A 133 11.929 -21.621 4.118 1.00 0.00 O ATOM 2013 CB ASP A 133 9.446 -21.595 2.458 1.00 0.00 C ATOM 2014 CG ASP A 133 9.265 -20.133 2.077 1.00 0.00 C ATOM 2015 OD1 ASP A 133 8.646 -19.407 2.899 1.00 0.00 O ATOM 2016 OD2 ASP A 133 9.702 -19.699 0.977 1.00 0.00 O ATOM 0 H ASP A 133 7.840 -20.855 4.177 1.00 0.00 H new ATOM 0 HA ASP A 133 9.694 -23.012 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 133 10.346 -21.959 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.606 -22.153 2.044 1.00 0.00 H new ATOM 2021 N GLY A 134 10.736 -20.357 5.423 1.00 0.00 N ATOM 2022 CA GLY A 134 11.889 -19.602 5.803 1.00 0.00 C ATOM 2023 C GLY A 134 12.279 -18.426 4.975 1.00 0.00 C ATOM 2024 O GLY A 134 13.340 -17.816 5.103 1.00 0.00 O ATOM 0 H GLY A 134 9.881 -20.090 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.733 -19.251 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.738 -20.285 5.828 1.00 0.00 H new ATOM 2028 N GLN A 135 11.381 -18.048 4.048 1.00 0.00 N ATOM 2029 CA GLN A 135 11.500 -16.773 3.411 1.00 0.00 C ATOM 2030 C GLN A 135 10.263 -15.986 3.673 1.00 0.00 C ATOM 2031 O GLN A 135 9.180 -16.500 3.948 1.00 0.00 O ATOM 2032 CB GLN A 135 11.741 -16.879 1.896 1.00 0.00 C ATOM 2033 CG GLN A 135 12.821 -17.886 1.495 1.00 0.00 C ATOM 2034 CD GLN A 135 12.856 -18.138 -0.005 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.882 -17.838 -0.613 1.00 0.00 O ATOM 2036 NE2 GLN A 135 11.773 -18.746 -0.561 1.00 0.00 N ATOM 0 H GLN A 135 10.587 -18.612 3.744 1.00 0.00 H new ATOM 0 HA GLN A 135 12.374 -16.274 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.805 -17.156 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.019 -15.896 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 135 13.794 -17.519 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.645 -18.828 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.958 -18.962 0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 135 11.776 -18.986 -1.552 1.00 0.00 H new ATOM 2045 N VAL A 136 10.292 -14.685 3.333 1.00 0.00 N ATOM 2046 CA VAL A 136 9.172 -13.812 3.162 1.00 0.00 C ATOM 2047 C VAL A 136 9.054 -13.449 1.721 1.00 0.00 C ATOM 2048 O VAL A 136 10.048 -12.992 1.159 1.00 0.00 O ATOM 2049 CB VAL A 136 9.143 -12.608 4.056 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.654 -11.288 3.438 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.510 -12.963 5.413 1.00 0.00 C ATOM 0 H VAL A 136 11.176 -14.204 3.164 1.00 0.00 H new ATOM 0 HA VAL A 136 8.294 -14.371 3.484 1.00 0.00 H new ATOM 0 HB VAL A 136 10.188 -12.351 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.683 -10.501 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.300 -11.016 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.632 -11.410 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.496 -12.079 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.490 -13.314 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.095 -13.747 5.893 1.00 0.00 H new ATOM 2061 N ASN A 137 7.853 -13.537 1.122 1.00 0.00 N ATOM 2062 CA ASN A 137 7.512 -13.191 -0.223 1.00 0.00 C ATOM 2063 C ASN A 137 6.757 -11.908 -0.294 1.00 0.00 C ATOM 2064 O ASN A 137 6.791 -11.229 0.732 1.00 0.00 O ATOM 2065 CB ASN A 137 6.829 -14.297 -1.044 1.00 0.00 C ATOM 2066 CG ASN A 137 5.445 -14.710 -0.566 1.00 0.00 C ATOM 2067 OD1 ASN A 137 4.513 -13.908 -0.543 1.00 0.00 O ATOM 2068 ND2 ASN A 137 5.222 -16.046 -0.445 1.00 0.00 N ATOM 0 H ASN A 137 7.042 -13.885 1.633 1.00 0.00 H new ATOM 0 HA ASN A 137 8.478 -13.055 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 137 6.752 -13.962 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.472 -15.177 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 137 4.271 -16.396 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 137 6.006 -16.698 -0.466 1.00 0.00 H new ATOM 2075 N TYR A 138 6.099 -11.542 -1.408 1.00 0.00 N ATOM 2076 CA TYR A 138 5.572 -10.239 -1.671 1.00 0.00 C ATOM 2077 C TYR A 138 4.414 -9.990 -0.767 1.00 0.00 C ATOM 2078 O TYR A 138 4.482 -9.021 -0.012 1.00 0.00 O ATOM 2079 CB TYR A 138 5.387 -9.844 -3.145 1.00 0.00 C ATOM 2080 CG TYR A 138 4.676 -8.556 -3.382 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.093 -7.403 -2.760 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.406 -8.564 -3.910 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.289 -6.297 -2.612 1.00 0.00 C ATOM 2084 CE2 TYR A 138 2.666 -7.410 -4.015 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.139 -6.294 -3.364 1.00 0.00 C ATOM 2086 OH TYR A 138 2.317 -5.149 -3.296 1.00 0.00 O ATOM 0 H TYR A 138 5.925 -12.196 -2.171 1.00 0.00 H new ATOM 0 HA TYR A 138 6.353 -9.520 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.370 -9.788 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.839 -10.639 -3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.099 -7.364 -2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 138 2.981 -9.497 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.545 -5.484 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 138 1.750 -7.381 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 138 1.536 -5.272 -3.875 1.00 0.00 H new ATOM 2096 N GLU A 139 3.326 -10.769 -0.899 1.00 0.00 N ATOM 2097 CA GLU A 139 2.145 -10.680 -0.097 1.00 0.00 C ATOM 2098 C GLU A 139 2.402 -11.017 1.331 1.00 0.00 C ATOM 2099 O GLU A 139 1.613 -10.601 2.179 1.00 0.00 O ATOM 2100 CB GLU A 139 1.050 -11.646 -0.580 1.00 0.00 C ATOM 2101 CG GLU A 139 0.361 -11.097 -1.831 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.098 -12.214 -2.758 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -0.955 -13.073 -2.418 1.00 0.00 O ATOM 2104 OE2 GLU A 139 0.353 -12.232 -3.934 1.00 0.00 O ATOM 0 H GLU A 139 3.267 -11.502 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 139 1.821 -9.644 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.487 -12.621 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.315 -11.796 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.497 -10.492 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 139 1.047 -10.440 -2.365 1.00 0.00 H new ATOM 2111 N GLU A 140 3.548 -11.644 1.651 1.00 0.00 N ATOM 2112 CA GLU A 140 3.898 -11.748 3.034 1.00 0.00 C ATOM 2113 C GLU A 140 4.430 -10.470 3.586 1.00 0.00 C ATOM 2114 O GLU A 140 3.887 -10.024 4.596 1.00 0.00 O ATOM 2115 CB GLU A 140 4.874 -12.932 3.123 1.00 0.00 C ATOM 2116 CG GLU A 140 4.191 -14.269 2.828 1.00 0.00 C ATOM 2117 CD GLU A 140 5.212 -15.397 2.839 1.00 0.00 C ATOM 2118 OE1 GLU A 140 6.377 -15.356 2.360 1.00 0.00 O ATOM 2119 OE2 GLU A 140 4.886 -16.464 3.426 1.00 0.00 O ATOM 0 H GLU A 140 4.204 -12.060 0.990 1.00 0.00 H new ATOM 0 HA GLU A 140 3.027 -11.934 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.691 -12.780 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 140 5.314 -12.963 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.418 -14.462 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.697 -14.226 1.858 1.00 0.00 H new ATOM 2126 N PHE A 141 5.332 -9.768 2.879 1.00 0.00 N ATOM 2127 CA PHE A 141 5.855 -8.473 3.187 1.00 0.00 C ATOM 2128 C PHE A 141 4.795 -7.448 3.408 1.00 0.00 C ATOM 2129 O PHE A 141 4.934 -6.551 4.238 1.00 0.00 O ATOM 2130 CB PHE A 141 6.950 -8.072 2.184 1.00 0.00 C ATOM 2131 CG PHE A 141 7.818 -6.920 2.557 1.00 0.00 C ATOM 2132 CD1 PHE A 141 8.775 -7.060 3.534 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.763 -5.761 1.819 1.00 0.00 C ATOM 2134 CE1 PHE A 141 9.463 -5.945 3.951 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.549 -4.689 2.167 1.00 0.00 C ATOM 2136 CZ PHE A 141 9.315 -4.738 3.308 1.00 0.00 C ATOM 0 H PHE A 141 5.729 -10.140 2.017 1.00 0.00 H new ATOM 0 HA PHE A 141 6.347 -8.531 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.590 -8.938 2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.470 -7.841 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.983 -8.028 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 141 7.103 -5.693 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 141 10.130 -6.018 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.565 -3.807 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.791 -3.847 3.691 1.00 0.00 H new ATOM 2146 N VAL A 142 3.741 -7.455 2.573 1.00 0.00 N ATOM 2147 CA VAL A 142 2.589 -6.608 2.539 1.00 0.00 C ATOM 2148 C VAL A 142 1.709 -6.774 3.730 1.00 0.00 C ATOM 2149 O VAL A 142 1.260 -5.774 4.287 1.00 0.00 O ATOM 2150 CB VAL A 142 1.713 -6.808 1.338 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.340 -6.122 1.434 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.443 -6.587 0.003 1.00 0.00 C ATOM 0 H VAL A 142 3.695 -8.147 1.825 1.00 0.00 H new ATOM 0 HA VAL A 142 3.029 -5.611 2.512 1.00 0.00 H new ATOM 0 HB VAL A 142 1.469 -7.870 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.229 -6.317 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.204 -6.515 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.478 -5.047 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.749 -6.748 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.825 -5.567 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.273 -7.289 -0.078 1.00 0.00 H new ATOM 2162 N GLN A 143 1.466 -8.018 4.181 1.00 0.00 N ATOM 2163 CA GLN A 143 0.780 -8.322 5.398 1.00 0.00 C ATOM 2164 C GLN A 143 1.441 -7.752 6.606 1.00 0.00 C ATOM 2165 O GLN A 143 0.793 -7.133 7.448 1.00 0.00 O ATOM 2166 CB GLN A 143 0.615 -9.842 5.573 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.116 -10.329 6.826 1.00 0.00 C ATOM 2168 CD GLN A 143 -0.326 -11.825 7.010 1.00 0.00 C ATOM 2169 OE1 GLN A 143 0.465 -12.502 7.664 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.512 -12.398 6.672 1.00 0.00 N ATOM 0 H GLN A 143 1.762 -8.851 3.672 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.199 -7.851 5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.084 -10.226 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.608 -10.292 5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 143 0.433 -9.962 7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.096 -9.852 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.197 -11.871 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.717 -13.355 6.961 1.00 0.00 H new ATOM 2179 N MET A 144 2.780 -7.887 6.604 1.00 0.00 N ATOM 2180 CA MET A 144 3.580 -7.293 7.630 1.00 0.00 C ATOM 2181 C MET A 144 3.579 -5.804 7.683 1.00 0.00 C ATOM 2182 O MET A 144 3.233 -5.178 8.684 1.00 0.00 O ATOM 2183 CB MET A 144 5.032 -7.791 7.533 1.00 0.00 C ATOM 2184 CG MET A 144 5.148 -9.275 7.890 1.00 0.00 C ATOM 2185 SD MET A 144 6.611 -10.034 7.121 1.00 0.00 S ATOM 2186 CE MET A 144 7.851 -9.414 8.294 1.00 0.00 C ATOM 0 H MET A 144 3.305 -8.403 5.898 1.00 0.00 H new ATOM 0 HA MET A 144 3.103 -7.616 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.405 -7.630 6.521 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.663 -7.206 8.202 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.206 -9.386 8.973 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.250 -9.800 7.563 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.841 -9.755 7.991 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.830 -8.324 8.304 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.628 -9.790 9.292 1.00 0.00 H new ATOM 2196 N MET A 145 4.030 -5.136 6.606 1.00 0.00 N ATOM 2197 CA MET A 145 4.223 -3.726 6.469 1.00 0.00 C ATOM 2198 C MET A 145 2.995 -3.098 5.906 1.00 0.00 C ATOM 2199 O MET A 145 2.665 -3.299 4.739 1.00 0.00 O ATOM 2200 CB MET A 145 5.458 -3.431 5.602 1.00 0.00 C ATOM 2201 CG MET A 145 6.738 -4.181 5.975 1.00 0.00 C ATOM 2202 SD MET A 145 7.128 -4.243 7.749 1.00 0.00 S ATOM 2203 CE MET A 145 8.467 -5.447 7.514 1.00 0.00 C ATOM 0 H MET A 145 4.283 -5.633 5.752 1.00 0.00 H new ATOM 0 HA MET A 145 4.404 -3.293 7.453 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.213 -3.665 4.566 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.662 -2.361 5.648 1.00 0.00 H new ATOM 0 HG2 MET A 145 6.660 -5.203 5.603 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.575 -3.715 5.454 1.00 0.00 H new ATOM 0 HE1 MET A 145 8.915 -5.686 8.479 1.00 0.00 H new ATOM 0 HE2 MET A 145 8.065 -6.355 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 145 9.226 -5.023 6.857 1.00 0.00 H new