USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 775 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 18 MET CE :methyl 173:sc= -0.577 (180deg=-0.726) USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0799 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -157:sc= -0.204 (180deg=-0.851) USER MOD Single : A 4 THR OG1 : rot -162:sc= 1.23 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.59 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -2.33 K(o=-2.3,f=-9.9!) USER MOD Single : A 15 SER OG : rot -89:sc= 1.31 USER MOD Single : A 17 MET CE :methyl 167:sc= -1.06 (180deg=-1.54) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.388 F(o=-1.6!,f=-0.39) USER MOD Single : A 28 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.22) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 HIS : no HE2:sc= -1.48 X(o=-1.5,f=-1.4) USER MOD Single : A 39 TYR OH : rot -73:sc= 0.0204 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 89:sc= -0.129 USER MOD Single : A 56 THR OG1 : rot 103:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -15:sc= -4.87! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 57:sc= 1.11 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.326 K(o=0.33,f=-3.6!) USER MOD Single : A 73 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.23) USER MOD Single : A 76 SER OG : rot -38:sc= 0.394 USER MOD Single : A 77 SER OG : rot -153:sc= -1.73! USER MOD Single : A 81 SER OG : rot -36:sc= 0.722 USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -0.869 (180deg=-3.22!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 1.84 K(o=1.8,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.603 -4.707 -2.720 1.00 0.00 N ATOM 2 CA GLY A 1 21.911 -5.948 -2.307 1.00 0.00 C ATOM 3 C GLY A 1 20.468 -5.696 -1.940 1.00 0.00 C ATOM 4 O GLY A 1 20.043 -4.547 -1.828 1.00 0.00 O ATOM 0 H1 GLY A 1 23.079 -4.862 -3.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.909 -3.939 -2.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.308 -4.447 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.957 -6.676 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.431 -6.386 -1.455 1.00 0.00 H new ATOM 10 N SER A 2 19.711 -6.766 -1.759 1.00 0.00 N ATOM 11 CA SER A 2 18.309 -6.653 -1.399 1.00 0.00 C ATOM 12 C SER A 2 18.013 -7.451 -0.135 1.00 0.00 C ATOM 13 O SER A 2 18.024 -8.682 -0.148 1.00 0.00 O ATOM 14 CB SER A 2 17.425 -7.137 -2.553 1.00 0.00 C ATOM 15 OG SER A 2 17.621 -6.340 -3.712 1.00 0.00 O ATOM 0 H SER A 2 20.046 -7.725 -1.856 1.00 0.00 H new ATOM 0 HA SER A 2 18.087 -5.604 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.655 -8.178 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.377 -7.099 -2.254 1.00 0.00 H new ATOM 0 HG SER A 2 17.048 -6.669 -4.436 1.00 0.00 H new ATOM 21 N MET A 3 17.771 -6.742 0.958 1.00 0.00 N ATOM 22 CA MET A 3 17.405 -7.372 2.221 1.00 0.00 C ATOM 23 C MET A 3 15.911 -7.635 2.253 1.00 0.00 C ATOM 24 O MET A 3 15.224 -7.487 1.243 1.00 0.00 O ATOM 25 CB MET A 3 17.807 -6.485 3.413 1.00 0.00 C ATOM 26 CG MET A 3 17.077 -5.146 3.477 1.00 0.00 C ATOM 27 SD MET A 3 17.576 -3.998 2.176 1.00 0.00 S ATOM 28 CE MET A 3 19.314 -3.781 2.557 1.00 0.00 C ATOM 0 H MET A 3 17.822 -5.724 0.997 1.00 0.00 H new ATOM 0 HA MET A 3 17.940 -8.318 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.619 -7.032 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.880 -6.298 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.004 -5.321 3.405 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.261 -4.686 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.663 -2.837 2.139 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.451 -3.772 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.886 -4.602 2.125 1.00 0.00 H new ATOM 38 N THR A 4 15.414 -8.045 3.403 1.00 0.00 N ATOM 39 CA THR A 4 13.998 -8.240 3.590 1.00 0.00 C ATOM 40 C THR A 4 13.566 -7.552 4.873 1.00 0.00 C ATOM 41 O THR A 4 14.075 -7.829 5.965 1.00 0.00 O ATOM 42 CB THR A 4 13.596 -9.736 3.608 1.00 0.00 C ATOM 43 OG1 THR A 4 12.193 -9.864 3.873 1.00 0.00 O ATOM 44 CG2 THR A 4 14.388 -10.513 4.642 1.00 0.00 C ATOM 0 H THR A 4 15.980 -8.250 4.227 1.00 0.00 H new ATOM 0 HA THR A 4 13.484 -7.797 2.737 1.00 0.00 H new ATOM 0 HB THR A 4 13.822 -10.154 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.998 -10.777 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.080 -11.558 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.451 -10.445 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.203 -10.095 5.631 1.00 0.00 H new ATOM 52 N VAL A 5 12.672 -6.602 4.721 1.00 0.00 N ATOM 53 CA VAL A 5 12.172 -5.852 5.851 1.00 0.00 C ATOM 54 C VAL A 5 11.191 -6.700 6.656 1.00 0.00 C ATOM 55 O VAL A 5 10.677 -7.711 6.182 1.00 0.00 O ATOM 56 CB VAL A 5 11.484 -4.544 5.411 1.00 0.00 C ATOM 57 CG1 VAL A 5 12.375 -3.744 4.474 1.00 0.00 C ATOM 58 CG2 VAL A 5 10.149 -4.845 4.772 1.00 0.00 C ATOM 0 H VAL A 5 12.275 -6.329 3.822 1.00 0.00 H new ATOM 0 HA VAL A 5 13.028 -5.591 6.473 1.00 0.00 H new ATOM 0 HB VAL A 5 11.310 -3.932 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.864 -2.827 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.306 -3.493 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.595 -4.337 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.674 -3.913 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.299 -5.480 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.510 -5.360 5.490 1.00 0.00 H new ATOM 68 N ARG A 6 10.955 -6.294 7.883 1.00 0.00 N ATOM 69 CA ARG A 6 10.038 -6.985 8.756 1.00 0.00 C ATOM 70 C ARG A 6 8.736 -6.229 8.830 1.00 0.00 C ATOM 71 O ARG A 6 8.417 -5.590 9.829 1.00 0.00 O ATOM 72 CB ARG A 6 10.656 -7.164 10.139 1.00 0.00 C ATOM 73 CG ARG A 6 11.519 -8.405 10.223 1.00 0.00 C ATOM 74 CD ARG A 6 12.699 -8.361 9.266 1.00 0.00 C ATOM 75 NE ARG A 6 13.295 -9.683 9.092 1.00 0.00 N ATOM 76 CZ ARG A 6 12.955 -10.538 8.117 1.00 0.00 C ATOM 77 NH1 ARG A 6 12.057 -10.192 7.196 1.00 0.00 N ATOM 78 NH2 ARG A 6 13.522 -11.735 8.068 1.00 0.00 N ATOM 0 H ARG A 6 11.394 -5.475 8.303 1.00 0.00 H new ATOM 0 HA ARG A 6 9.834 -7.977 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.257 -6.288 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.863 -7.224 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.887 -8.519 11.243 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.910 -9.282 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.371 -7.978 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.451 -7.669 9.645 1.00 0.00 H new ATOM 0 HE ARG A 6 14.015 -9.974 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.622 -9.270 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.804 -10.849 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.213 -12.001 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.268 -12.390 7.329 1.00 0.00 H new ATOM 92 N TYR A 7 8.002 -6.293 7.743 1.00 0.00 N ATOM 93 CA TYR A 7 6.762 -5.577 7.623 1.00 0.00 C ATOM 94 C TYR A 7 5.603 -6.526 7.832 1.00 0.00 C ATOM 95 O TYR A 7 5.769 -7.745 7.788 1.00 0.00 O ATOM 96 CB TYR A 7 6.687 -4.931 6.239 1.00 0.00 C ATOM 97 CG TYR A 7 6.309 -5.896 5.144 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.173 -6.905 4.741 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.075 -5.806 4.528 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.808 -7.792 3.755 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.705 -6.688 3.543 1.00 0.00 C ATOM 102 CZ TYR A 7 5.574 -7.681 3.158 1.00 0.00 C ATOM 103 OH TYR A 7 5.208 -8.564 2.171 1.00 0.00 O ATOM 0 H TYR A 7 8.251 -6.843 6.921 1.00 0.00 H new ATOM 0 HA TYR A 7 6.709 -4.796 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.959 -4.120 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.653 -4.485 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.143 -6.995 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.389 -5.027 4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.489 -8.573 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.736 -6.602 3.073 1.00 0.00 H new ATOM 0 HH TYR A 7 4.306 -8.347 1.856 1.00 0.00 H new ATOM 113 N GLN A 8 4.438 -5.974 8.067 1.00 0.00 N ATOM 114 CA GLN A 8 3.248 -6.771 8.157 1.00 0.00 C ATOM 115 C GLN A 8 2.094 -6.058 7.504 1.00 0.00 C ATOM 116 O GLN A 8 1.875 -4.862 7.703 1.00 0.00 O ATOM 117 CB GLN A 8 2.899 -7.125 9.599 1.00 0.00 C ATOM 118 CG GLN A 8 1.611 -7.921 9.706 1.00 0.00 C ATOM 119 CD GLN A 8 1.442 -8.591 11.046 1.00 0.00 C ATOM 120 OE1 GLN A 8 0.876 -8.020 11.978 1.00 0.00 O ATOM 121 NE2 GLN A 8 1.925 -9.815 11.144 1.00 0.00 N ATOM 0 H GLN A 8 4.292 -4.973 8.199 1.00 0.00 H new ATOM 0 HA GLN A 8 3.443 -7.705 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.715 -7.700 10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.806 -6.209 10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.765 -7.258 9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.592 -8.678 8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.386 -10.247 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.837 -10.329 12.020 1.00 0.00 H new ATOM 130 N ILE A 9 1.385 -6.803 6.706 1.00 0.00 N ATOM 131 CA ILE A 9 0.198 -6.314 6.061 1.00 0.00 C ATOM 132 C ILE A 9 -1.011 -6.630 6.917 1.00 0.00 C ATOM 133 O ILE A 9 -1.409 -7.785 7.069 1.00 0.00 O ATOM 134 CB ILE A 9 0.039 -6.910 4.659 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.259 -6.544 3.814 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.241 -6.412 4.017 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.070 -6.764 2.337 1.00 0.00 C ATOM 0 H ILE A 9 1.614 -7.772 6.483 1.00 0.00 H new ATOM 0 HA ILE A 9 0.285 -5.233 5.947 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.026 -7.996 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.506 -5.496 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.112 -7.132 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.341 -6.844 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.094 -6.708 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.210 -5.325 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.980 -6.481 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.854 -7.816 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.239 -6.155 1.982 1.00 0.00 H new ATOM 149 N GLU A 10 -1.573 -5.589 7.485 1.00 0.00 N ATOM 150 CA GLU A 10 -2.608 -5.721 8.484 1.00 0.00 C ATOM 151 C GLU A 10 -3.942 -5.233 7.943 1.00 0.00 C ATOM 152 O GLU A 10 -4.002 -4.526 6.932 1.00 0.00 O ATOM 153 CB GLU A 10 -2.200 -4.914 9.712 1.00 0.00 C ATOM 154 CG GLU A 10 -2.179 -3.413 9.475 1.00 0.00 C ATOM 155 CD GLU A 10 -1.344 -2.678 10.493 1.00 0.00 C ATOM 156 OE1 GLU A 10 -1.763 -2.589 11.663 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.253 -2.192 10.133 1.00 0.00 O ATOM 0 H GLU A 10 -1.325 -4.624 7.267 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.727 -6.770 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.889 -5.135 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.210 -5.236 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.789 -3.212 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.199 -3.030 9.502 1.00 0.00 H new ATOM 164 N GLN A 11 -5.009 -5.614 8.616 1.00 0.00 N ATOM 165 CA GLN A 11 -6.335 -5.205 8.216 1.00 0.00 C ATOM 166 C GLN A 11 -6.695 -3.879 8.864 1.00 0.00 C ATOM 167 O GLN A 11 -6.516 -3.684 10.063 1.00 0.00 O ATOM 168 CB GLN A 11 -7.356 -6.289 8.565 1.00 0.00 C ATOM 169 CG GLN A 11 -8.806 -5.881 8.330 1.00 0.00 C ATOM 170 CD GLN A 11 -9.034 -5.301 6.946 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.892 -4.445 6.752 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.270 -5.758 5.977 1.00 0.00 N ATOM 0 H GLN A 11 -4.981 -6.208 9.445 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.351 -5.067 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.140 -7.179 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.233 -6.564 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.450 -6.750 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.099 -5.146 9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.567 -6.470 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.381 -5.400 5.028 1.00 0.00 H new ATOM 181 N LEU A 12 -7.188 -2.970 8.040 1.00 0.00 N ATOM 182 CA LEU A 12 -7.525 -1.625 8.471 1.00 0.00 C ATOM 183 C LEU A 12 -8.837 -1.625 9.253 1.00 0.00 C ATOM 184 O LEU A 12 -9.049 -0.807 10.149 1.00 0.00 O ATOM 185 CB LEU A 12 -7.653 -0.745 7.237 1.00 0.00 C ATOM 186 CG LEU A 12 -7.246 0.719 7.377 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.722 1.029 8.773 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.193 1.055 6.335 1.00 0.00 C ATOM 0 H LEU A 12 -7.366 -3.145 7.051 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.743 -1.242 9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.052 -1.188 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.691 -0.777 6.906 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.132 1.334 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.443 2.081 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.499 0.818 9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.849 0.410 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.903 2.101 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.319 0.420 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.600 0.886 5.338 1.00 0.00 H new ATOM 200 N GLY A 13 -9.724 -2.541 8.892 1.00 0.00 N ATOM 201 CA GLY A 13 -10.991 -2.669 9.584 1.00 0.00 C ATOM 202 C GLY A 13 -11.860 -3.751 8.982 1.00 0.00 C ATOM 203 O GLY A 13 -12.025 -4.824 9.564 1.00 0.00 O ATOM 0 H GLY A 13 -9.588 -3.202 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.809 -2.894 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.521 -1.717 9.549 1.00 0.00 H new ATOM 207 N ASP A 14 -12.400 -3.483 7.803 1.00 0.00 N ATOM 208 CA ASP A 14 -13.273 -4.439 7.136 1.00 0.00 C ATOM 209 C ASP A 14 -12.951 -4.566 5.649 1.00 0.00 C ATOM 210 O ASP A 14 -13.040 -5.657 5.085 1.00 0.00 O ATOM 211 CB ASP A 14 -14.743 -4.054 7.329 1.00 0.00 C ATOM 212 CG ASP A 14 -15.086 -2.692 6.760 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.925 -1.681 7.479 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.521 -2.624 5.593 1.00 0.00 O ATOM 0 H ASP A 14 -12.250 -2.615 7.289 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.097 -5.411 7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.374 -4.807 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.977 -4.065 8.393 1.00 0.00 H new ATOM 219 N SER A 15 -12.560 -3.468 5.009 1.00 0.00 N ATOM 220 CA SER A 15 -12.296 -3.496 3.575 1.00 0.00 C ATOM 221 C SER A 15 -11.283 -2.430 3.187 1.00 0.00 C ATOM 222 O SER A 15 -11.416 -1.751 2.169 1.00 0.00 O ATOM 223 CB SER A 15 -13.593 -3.334 2.786 1.00 0.00 C ATOM 224 OG SER A 15 -14.364 -2.242 3.266 1.00 0.00 O ATOM 0 H SER A 15 -12.421 -2.560 5.453 1.00 0.00 H new ATOM 0 HA SER A 15 -11.868 -4.467 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.362 -3.181 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.178 -4.251 2.854 1.00 0.00 H new ATOM 0 HG SER A 15 -14.965 -2.552 3.976 1.00 0.00 H new ATOM 230 N ALA A 16 -10.273 -2.301 4.018 1.00 0.00 N ATOM 231 CA ALA A 16 -9.150 -1.423 3.759 1.00 0.00 C ATOM 232 C ALA A 16 -7.902 -2.097 4.291 1.00 0.00 C ATOM 233 O ALA A 16 -7.988 -2.942 5.183 1.00 0.00 O ATOM 234 CB ALA A 16 -9.368 -0.061 4.401 1.00 0.00 C ATOM 0 H ALA A 16 -10.206 -2.807 4.901 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.044 -1.248 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.512 0.581 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.270 0.394 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.478 -0.180 5.479 1.00 0.00 H new ATOM 240 N MET A 17 -6.750 -1.756 3.760 1.00 0.00 N ATOM 241 CA MET A 17 -5.539 -2.480 4.123 1.00 0.00 C ATOM 242 C MET A 17 -4.423 -1.531 4.519 1.00 0.00 C ATOM 243 O MET A 17 -4.219 -0.516 3.880 1.00 0.00 O ATOM 244 CB MET A 17 -5.115 -3.357 2.949 1.00 0.00 C ATOM 245 CG MET A 17 -3.875 -4.183 3.194 1.00 0.00 C ATOM 246 SD MET A 17 -3.672 -5.500 1.984 1.00 0.00 S ATOM 247 CE MET A 17 -3.554 -4.569 0.468 1.00 0.00 C ATOM 0 H MET A 17 -6.619 -0.999 3.089 1.00 0.00 H new ATOM 0 HA MET A 17 -5.747 -3.107 4.990 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.937 -4.027 2.698 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.945 -2.721 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.000 -3.534 3.170 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.923 -4.616 4.193 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.199 -5.219 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.536 -4.175 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.855 -3.743 0.602 1.00 0.00 H new ATOM 257 N MET A 18 -3.708 -1.843 5.585 1.00 0.00 N ATOM 258 CA MET A 18 -2.570 -1.023 5.978 1.00 0.00 C ATOM 259 C MET A 18 -1.331 -1.899 6.134 1.00 0.00 C ATOM 260 O MET A 18 -1.423 -3.033 6.584 1.00 0.00 O ATOM 261 CB MET A 18 -2.861 -0.256 7.271 1.00 0.00 C ATOM 262 CG MET A 18 -1.688 0.574 7.773 1.00 0.00 C ATOM 263 SD MET A 18 -1.958 1.250 9.424 1.00 0.00 S ATOM 264 CE MET A 18 -3.282 2.414 9.109 1.00 0.00 C ATOM 0 H MET A 18 -3.889 -2.645 6.188 1.00 0.00 H new ATOM 0 HA MET A 18 -2.386 -0.287 5.195 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.715 0.401 7.108 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.149 -0.966 8.046 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.790 -0.044 7.782 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.505 1.392 7.077 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.642 2.820 10.054 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.911 3.226 8.483 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.099 1.906 8.597 1.00 0.00 H new ATOM 274 N ILE A 19 -0.183 -1.391 5.729 1.00 0.00 N ATOM 275 CA ILE A 19 1.054 -2.156 5.797 1.00 0.00 C ATOM 276 C ILE A 19 2.130 -1.401 6.568 1.00 0.00 C ATOM 277 O ILE A 19 2.577 -0.346 6.131 1.00 0.00 O ATOM 278 CB ILE A 19 1.590 -2.442 4.383 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.517 -3.091 3.524 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.806 -3.343 4.451 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.579 -2.664 2.078 1.00 0.00 C ATOM 0 H ILE A 19 -0.078 -0.451 5.348 1.00 0.00 H new ATOM 0 HA ILE A 19 0.825 -3.090 6.311 1.00 0.00 H new ATOM 0 HB ILE A 19 1.876 -1.493 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.620 -4.175 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.464 -2.842 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.173 -3.536 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.587 -2.856 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.534 -4.286 4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.212 -3.162 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.447 -1.584 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.547 -2.937 1.659 1.00 0.00 H new ATOM 293 N ARG A 20 2.550 -1.930 7.703 1.00 0.00 N ATOM 294 CA ARG A 20 3.658 -1.330 8.436 1.00 0.00 C ATOM 295 C ARG A 20 4.938 -2.097 8.116 1.00 0.00 C ATOM 296 O ARG A 20 4.914 -3.320 8.047 1.00 0.00 O ATOM 297 CB ARG A 20 3.385 -1.322 9.955 1.00 0.00 C ATOM 298 CG ARG A 20 3.857 -2.565 10.709 1.00 0.00 C ATOM 299 CD ARG A 20 3.008 -3.793 10.408 1.00 0.00 C ATOM 300 NE ARG A 20 1.700 -3.745 11.043 1.00 0.00 N ATOM 301 CZ ARG A 20 1.396 -4.374 12.182 1.00 0.00 C ATOM 302 NH1 ARG A 20 2.306 -5.135 12.784 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.181 -4.255 12.710 1.00 0.00 N ATOM 0 H ARG A 20 2.149 -2.762 8.135 1.00 0.00 H new ATOM 0 HA ARG A 20 3.770 -0.291 8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.869 -0.448 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.313 -1.205 10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.894 -2.772 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.833 -2.366 11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.880 -3.885 9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.537 -4.685 10.743 1.00 0.00 H new ATOM 0 HE ARG A 20 0.969 -3.197 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.235 -5.238 12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.075 -5.615 13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.523 -3.682 12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.047 -4.737 13.580 1.00 0.00 H new ATOM 317 N PHE A 21 6.038 -1.394 7.877 1.00 0.00 N ATOM 318 CA PHE A 21 7.311 -2.062 7.637 1.00 0.00 C ATOM 319 C PHE A 21 8.274 -1.754 8.775 1.00 0.00 C ATOM 320 O PHE A 21 7.854 -1.436 9.885 1.00 0.00 O ATOM 321 CB PHE A 21 7.960 -1.622 6.316 1.00 0.00 C ATOM 322 CG PHE A 21 7.061 -1.609 5.101 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.055 -0.672 4.974 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.257 -2.507 4.063 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.259 -0.624 3.851 1.00 0.00 C ATOM 326 CE2 PHE A 21 6.457 -2.470 2.935 1.00 0.00 C ATOM 327 CZ PHE A 21 5.458 -1.526 2.828 1.00 0.00 C ATOM 0 H PHE A 21 6.076 -0.375 7.844 1.00 0.00 H new ATOM 0 HA PHE A 21 7.106 -3.131 7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.367 -0.620 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.802 -2.283 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.889 0.037 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.043 -3.244 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.480 0.120 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.615 -3.181 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.834 -1.493 1.947 1.00 0.00 H new ATOM 337 N GLY A 22 9.564 -1.836 8.486 1.00 0.00 N ATOM 338 CA GLY A 22 10.570 -1.484 9.468 1.00 0.00 C ATOM 339 C GLY A 22 10.952 -0.023 9.352 1.00 0.00 C ATOM 340 O GLY A 22 10.234 0.751 8.719 1.00 0.00 O ATOM 0 H GLY A 22 9.934 -2.141 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.192 -1.687 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.453 -2.107 9.329 1.00 0.00 H new ATOM 344 N GLU A 23 12.077 0.359 9.937 1.00 0.00 N ATOM 345 CA GLU A 23 12.531 1.748 9.879 1.00 0.00 C ATOM 346 C GLU A 23 13.930 1.917 10.473 1.00 0.00 C ATOM 347 O GLU A 23 14.732 2.690 9.953 1.00 0.00 O ATOM 348 CB GLU A 23 11.549 2.676 10.607 1.00 0.00 C ATOM 349 CG GLU A 23 11.367 2.342 12.078 1.00 0.00 C ATOM 350 CD GLU A 23 10.607 3.409 12.833 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.091 4.560 12.890 1.00 0.00 O ATOM 352 OE2 GLU A 23 9.550 3.092 13.411 1.00 0.00 O ATOM 0 H GLU A 23 12.693 -0.267 10.456 1.00 0.00 H new ATOM 0 HA GLU A 23 12.572 2.022 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.901 3.704 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.580 2.627 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.837 1.394 12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.346 2.205 12.538 1.00 0.00 H new ATOM 359 N GLU A 24 14.214 1.179 11.552 1.00 0.00 N ATOM 360 CA GLU A 24 15.456 1.326 12.313 1.00 0.00 C ATOM 361 C GLU A 24 16.676 1.271 11.401 1.00 0.00 C ATOM 362 O GLU A 24 17.359 2.275 11.188 1.00 0.00 O ATOM 363 CB GLU A 24 15.568 0.231 13.386 1.00 0.00 C ATOM 364 CG GLU A 24 14.275 -0.035 14.147 1.00 0.00 C ATOM 365 CD GLU A 24 13.414 -1.106 13.497 1.00 0.00 C ATOM 366 OE1 GLU A 24 12.766 -0.818 12.470 1.00 0.00 O ATOM 367 OE2 GLU A 24 13.378 -2.240 14.021 1.00 0.00 O ATOM 0 H GLU A 24 13.588 0.463 11.921 1.00 0.00 H new ATOM 0 HA GLU A 24 15.427 2.303 12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.894 -0.695 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.343 0.514 14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.515 -0.338 15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.703 0.891 14.216 1.00 0.00 H new ATOM 374 N ILE A 25 16.935 0.097 10.852 1.00 0.00 N ATOM 375 CA ILE A 25 18.050 -0.093 9.936 1.00 0.00 C ATOM 376 C ILE A 25 17.540 -0.185 8.509 1.00 0.00 C ATOM 377 O ILE A 25 18.234 -0.641 7.603 1.00 0.00 O ATOM 378 CB ILE A 25 18.851 -1.367 10.281 1.00 0.00 C ATOM 379 CG1 ILE A 25 17.930 -2.597 10.294 1.00 0.00 C ATOM 380 CG2 ILE A 25 19.551 -1.200 11.624 1.00 0.00 C ATOM 381 CD1 ILE A 25 18.650 -3.897 10.584 1.00 0.00 C ATOM 0 H ILE A 25 16.386 -0.745 11.025 1.00 0.00 H new ATOM 0 HA ILE A 25 18.713 0.766 10.035 1.00 0.00 H new ATOM 0 HB ILE A 25 19.610 -1.522 9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.152 -2.449 11.043 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.432 -2.676 9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.113 -2.105 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 25 20.234 -0.352 11.576 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.808 -1.024 12.402 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.934 -4.719 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 25 19.410 -4.070 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.125 -3.839 11.563 1.00 0.00 H new ATOM 393 N ASN A 26 16.322 0.278 8.311 1.00 0.00 N ATOM 394 CA ASN A 26 15.650 0.106 7.041 1.00 0.00 C ATOM 395 C ASN A 26 15.543 1.418 6.285 1.00 0.00 C ATOM 396 O ASN A 26 14.464 1.999 6.171 1.00 0.00 O ATOM 397 CB ASN A 26 14.261 -0.496 7.241 1.00 0.00 C ATOM 398 CG ASN A 26 14.303 -1.882 7.850 1.00 0.00 C ATOM 399 OD1 ASN A 26 14.413 -2.896 7.007 1.00 0.00 O flip ATOM 400 ND2 ASN A 26 14.233 -2.038 9.070 1.00 0.00 N flip ATOM 0 H ASN A 26 15.778 0.777 9.015 1.00 0.00 H new ATOM 0 HA ASN A 26 16.251 -0.581 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.675 0.161 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.748 -0.542 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.149 -1.228 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.259 -2.977 9.466 1.00 0.00 H new ATOM 407 N GLU A 27 16.671 1.878 5.768 1.00 0.00 N ATOM 408 CA GLU A 27 16.694 3.025 4.871 1.00 0.00 C ATOM 409 C GLU A 27 15.846 2.723 3.640 1.00 0.00 C ATOM 410 O GLU A 27 15.212 3.607 3.066 1.00 0.00 O ATOM 411 CB GLU A 27 18.137 3.327 4.461 1.00 0.00 C ATOM 412 CG GLU A 27 18.281 4.436 3.435 1.00 0.00 C ATOM 413 CD GLU A 27 19.677 4.492 2.859 1.00 0.00 C ATOM 414 OE1 GLU A 27 20.003 3.636 2.006 1.00 0.00 O ATOM 415 OE2 GLU A 27 20.457 5.380 3.256 1.00 0.00 O ATOM 0 H GLU A 27 17.588 1.473 5.955 1.00 0.00 H new ATOM 0 HA GLU A 27 16.283 3.897 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 27 18.705 3.597 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.585 2.418 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.562 4.282 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 27 18.041 5.393 3.898 1.00 0.00 H new ATOM 422 N GLN A 28 15.838 1.446 3.268 1.00 0.00 N ATOM 423 CA GLN A 28 15.083 0.954 2.124 1.00 0.00 C ATOM 424 C GLN A 28 13.606 1.345 2.225 1.00 0.00 C ATOM 425 O GLN A 28 13.074 2.004 1.334 1.00 0.00 O ATOM 426 CB GLN A 28 15.247 -0.567 2.042 1.00 0.00 C ATOM 427 CG GLN A 28 14.845 -1.180 0.713 1.00 0.00 C ATOM 428 CD GLN A 28 13.360 -1.478 0.613 1.00 0.00 C ATOM 429 OE1 GLN A 28 12.904 -2.534 1.046 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.602 -0.579 0.007 1.00 0.00 N ATOM 0 H GLN A 28 16.360 0.719 3.757 1.00 0.00 H new ATOM 0 HA GLN A 28 15.470 1.410 1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.289 -0.817 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.653 -1.026 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.127 -0.502 -0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.405 -2.103 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.016 0.287 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.604 -0.751 -0.114 1.00 0.00 H new ATOM 439 N VAL A 29 12.950 0.964 3.321 1.00 0.00 N ATOM 440 CA VAL A 29 11.526 1.254 3.479 1.00 0.00 C ATOM 441 C VAL A 29 11.280 2.753 3.570 1.00 0.00 C ATOM 442 O VAL A 29 10.340 3.266 2.974 1.00 0.00 O ATOM 443 CB VAL A 29 10.902 0.567 4.714 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.568 1.014 5.999 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.412 0.849 4.764 1.00 0.00 C ATOM 0 H VAL A 29 13.374 0.462 4.101 1.00 0.00 H new ATOM 0 HA VAL A 29 11.042 0.849 2.590 1.00 0.00 H new ATOM 0 HB VAL A 29 11.063 -0.507 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.102 0.509 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.628 0.763 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.454 2.092 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.979 0.362 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.247 1.924 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.938 0.464 3.861 1.00 0.00 H new ATOM 455 N ASN A 30 12.132 3.443 4.316 1.00 0.00 N ATOM 456 CA ASN A 30 12.050 4.897 4.451 1.00 0.00 C ATOM 457 C ASN A 30 11.926 5.565 3.085 1.00 0.00 C ATOM 458 O ASN A 30 11.104 6.463 2.891 1.00 0.00 O ATOM 459 CB ASN A 30 13.289 5.424 5.179 1.00 0.00 C ATOM 460 CG ASN A 30 13.320 6.937 5.278 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.282 7.594 5.378 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.515 7.499 5.230 1.00 0.00 N ATOM 0 H ASN A 30 12.895 3.018 4.842 1.00 0.00 H new ATOM 0 HA ASN A 30 11.160 5.138 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.322 4.999 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.183 5.081 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.603 8.514 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.349 6.918 5.147 1.00 0.00 H new ATOM 469 N GLY A 31 12.717 5.100 2.130 1.00 0.00 N ATOM 470 CA GLY A 31 12.698 5.681 0.809 1.00 0.00 C ATOM 471 C GLY A 31 11.605 5.111 -0.078 1.00 0.00 C ATOM 472 O GLY A 31 11.396 5.598 -1.185 1.00 0.00 O ATOM 0 H GLY A 31 13.373 4.328 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.562 6.759 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.665 5.518 0.333 1.00 0.00 H new ATOM 476 N ILE A 32 10.884 4.103 0.399 1.00 0.00 N ATOM 477 CA ILE A 32 9.898 3.442 -0.446 1.00 0.00 C ATOM 478 C ILE A 32 8.475 3.620 0.074 1.00 0.00 C ATOM 479 O ILE A 32 7.549 3.690 -0.713 1.00 0.00 O ATOM 480 CB ILE A 32 10.217 1.936 -0.646 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.133 1.569 -2.138 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.299 1.040 0.187 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.785 1.838 -2.795 1.00 0.00 C ATOM 0 H ILE A 32 10.960 3.732 1.346 1.00 0.00 H new ATOM 0 HA ILE A 32 9.960 3.932 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 32 11.235 1.763 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.900 2.126 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.369 0.511 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.558 -0.005 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.422 1.276 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.263 1.210 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.827 1.547 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.012 1.260 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.550 2.900 -2.722 1.00 0.00 H new ATOM 495 N VAL A 33 8.290 3.716 1.381 1.00 0.00 N ATOM 496 CA VAL A 33 6.942 3.838 1.931 1.00 0.00 C ATOM 497 C VAL A 33 6.265 5.106 1.408 1.00 0.00 C ATOM 498 O VAL A 33 5.072 5.104 1.105 1.00 0.00 O ATOM 499 CB VAL A 33 6.933 3.814 3.478 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.834 4.889 4.052 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.516 3.958 4.012 1.00 0.00 C ATOM 0 H VAL A 33 9.039 3.712 2.073 1.00 0.00 H new ATOM 0 HA VAL A 33 6.377 2.968 1.596 1.00 0.00 H new ATOM 0 HB VAL A 33 7.324 2.848 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.805 4.845 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.856 4.728 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.490 5.868 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.534 3.938 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.094 4.904 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.903 3.135 3.644 1.00 0.00 H new ATOM 511 N HIS A 34 7.042 6.173 1.255 1.00 0.00 N ATOM 512 CA HIS A 34 6.507 7.416 0.717 1.00 0.00 C ATOM 513 C HIS A 34 6.395 7.340 -0.803 1.00 0.00 C ATOM 514 O HIS A 34 5.613 8.064 -1.414 1.00 0.00 O ATOM 515 CB HIS A 34 7.358 8.625 1.153 1.00 0.00 C ATOM 516 CG HIS A 34 8.731 8.712 0.539 1.00 0.00 C ATOM 517 ND1 HIS A 34 9.884 8.430 1.237 1.00 0.00 N ATOM 518 CD2 HIS A 34 9.129 9.086 -0.703 1.00 0.00 C ATOM 519 CE1 HIS A 34 10.930 8.628 0.454 1.00 0.00 C ATOM 520 NE2 HIS A 34 10.500 9.026 -0.726 1.00 0.00 N ATOM 0 H HIS A 34 8.033 6.202 1.493 1.00 0.00 H new ATOM 0 HA HIS A 34 5.506 7.557 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.813 9.537 0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.466 8.598 2.237 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.924 8.117 2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.487 9.377 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.963 8.487 0.734 1.00 0.00 H new ATOM 529 N ALA A 35 7.177 6.453 -1.410 1.00 0.00 N ATOM 530 CA ALA A 35 7.162 6.290 -2.856 1.00 0.00 C ATOM 531 C ALA A 35 6.068 5.322 -3.285 1.00 0.00 C ATOM 532 O ALA A 35 5.516 5.440 -4.375 1.00 0.00 O ATOM 533 CB ALA A 35 8.515 5.806 -3.345 1.00 0.00 C ATOM 0 H ALA A 35 7.828 5.838 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 35 6.951 7.261 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.490 5.688 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.281 6.534 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.748 4.847 -2.881 1.00 0.00 H new ATOM 539 N ALA A 36 5.760 4.369 -2.411 1.00 0.00 N ATOM 540 CA ALA A 36 4.778 3.327 -2.689 1.00 0.00 C ATOM 541 C ALA A 36 3.389 3.914 -2.870 1.00 0.00 C ATOM 542 O ALA A 36 2.534 3.315 -3.515 1.00 0.00 O ATOM 543 CB ALA A 36 4.773 2.290 -1.575 1.00 0.00 C ATOM 0 H ALA A 36 6.186 4.298 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 36 5.062 2.840 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.035 1.520 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.760 1.835 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.520 2.772 -0.630 1.00 0.00 H new ATOM 549 N ALA A 37 3.183 5.100 -2.322 1.00 0.00 N ATOM 550 CA ALA A 37 1.918 5.789 -2.461 1.00 0.00 C ATOM 551 C ALA A 37 1.690 6.103 -3.924 1.00 0.00 C ATOM 552 O ALA A 37 0.600 5.907 -4.459 1.00 0.00 O ATOM 553 CB ALA A 37 1.923 7.060 -1.628 1.00 0.00 C ATOM 0 H ALA A 37 3.881 5.605 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 37 1.107 5.156 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.967 7.572 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.080 6.807 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.726 7.714 -1.967 1.00 0.00 H new ATOM 559 N ALA A 38 2.748 6.559 -4.572 1.00 0.00 N ATOM 560 CA ALA A 38 2.702 6.833 -5.990 1.00 0.00 C ATOM 561 C ALA A 38 2.959 5.563 -6.797 1.00 0.00 C ATOM 562 O ALA A 38 2.480 5.421 -7.920 1.00 0.00 O ATOM 563 CB ALA A 38 3.698 7.919 -6.357 1.00 0.00 C ATOM 0 H ALA A 38 3.650 6.746 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 38 1.702 7.191 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.648 8.111 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.457 8.832 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.704 7.594 -6.093 1.00 0.00 H new ATOM 569 N TYR A 39 3.710 4.636 -6.210 1.00 0.00 N ATOM 570 CA TYR A 39 4.016 3.367 -6.856 1.00 0.00 C ATOM 571 C TYR A 39 2.724 2.636 -7.226 1.00 0.00 C ATOM 572 O TYR A 39 2.550 2.187 -8.360 1.00 0.00 O ATOM 573 CB TYR A 39 4.870 2.485 -5.937 1.00 0.00 C ATOM 574 CG TYR A 39 5.590 1.362 -6.658 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.886 0.328 -7.258 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.978 1.340 -6.736 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.539 -0.693 -7.915 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.639 0.318 -7.393 1.00 0.00 C ATOM 579 CZ TYR A 39 6.915 -0.695 -7.982 1.00 0.00 C ATOM 580 OH TYR A 39 7.567 -1.717 -8.639 1.00 0.00 O ATOM 0 H TYR A 39 4.120 4.743 -5.282 1.00 0.00 H new ATOM 0 HA TYR A 39 4.581 3.573 -7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.606 3.110 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.231 2.057 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.807 0.323 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.549 2.133 -6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.973 -1.489 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.718 0.314 -7.444 1.00 0.00 H new ATOM 0 HH TYR A 39 7.515 -2.536 -8.103 1.00 0.00 H new ATOM 590 N ILE A 40 1.808 2.555 -6.268 1.00 0.00 N ATOM 591 CA ILE A 40 0.579 1.795 -6.440 1.00 0.00 C ATOM 592 C ILE A 40 -0.386 2.501 -7.383 1.00 0.00 C ATOM 593 O ILE A 40 -1.064 1.860 -8.179 1.00 0.00 O ATOM 594 CB ILE A 40 -0.113 1.569 -5.087 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.803 0.788 -4.155 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.430 0.833 -5.268 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.411 0.914 -2.704 1.00 0.00 C ATOM 0 H ILE A 40 1.896 3.010 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 40 0.853 0.834 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.325 2.542 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.790 -0.264 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.827 1.140 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.901 0.685 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.091 1.421 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.245 -0.135 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.101 0.336 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.451 1.962 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.602 0.536 -2.567 1.00 0.00 H new ATOM 609 N GLU A 41 -0.431 3.824 -7.311 1.00 0.00 N ATOM 610 CA GLU A 41 -1.409 4.588 -8.075 1.00 0.00 C ATOM 611 C GLU A 41 -1.082 4.575 -9.568 1.00 0.00 C ATOM 612 O GLU A 41 -1.947 4.840 -10.402 1.00 0.00 O ATOM 613 CB GLU A 41 -1.525 6.019 -7.537 1.00 0.00 C ATOM 614 CG GLU A 41 -0.304 6.891 -7.765 1.00 0.00 C ATOM 615 CD GLU A 41 -0.481 8.280 -7.180 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.424 8.418 -5.943 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.697 9.237 -7.952 1.00 0.00 O ATOM 0 H GLU A 41 0.194 4.388 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.380 4.108 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.387 6.497 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.726 5.974 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.569 6.417 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.109 6.970 -8.835 1.00 0.00 H new ATOM 624 N GLU A 42 0.165 4.261 -9.905 1.00 0.00 N ATOM 625 CA GLU A 42 0.555 4.102 -11.300 1.00 0.00 C ATOM 626 C GLU A 42 0.131 2.735 -11.831 1.00 0.00 C ATOM 627 O GLU A 42 -0.112 2.569 -13.027 1.00 0.00 O ATOM 628 CB GLU A 42 2.063 4.252 -11.465 1.00 0.00 C ATOM 629 CG GLU A 42 2.585 5.635 -11.138 1.00 0.00 C ATOM 630 CD GLU A 42 4.044 5.783 -11.502 1.00 0.00 C ATOM 631 OE1 GLU A 42 4.909 5.370 -10.702 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.330 6.293 -12.605 1.00 0.00 O ATOM 0 H GLU A 42 0.919 4.112 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 42 0.051 4.883 -11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.562 3.526 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.332 4.007 -12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.999 6.381 -11.674 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.454 5.831 -10.074 1.00 0.00 H new ATOM 639 N GLN A 43 0.059 1.755 -10.939 1.00 0.00 N ATOM 640 CA GLN A 43 -0.326 0.400 -11.318 1.00 0.00 C ATOM 641 C GLN A 43 -1.433 -0.128 -10.399 1.00 0.00 C ATOM 642 O GLN A 43 -1.230 -1.087 -9.654 1.00 0.00 O ATOM 643 CB GLN A 43 0.898 -0.519 -11.268 1.00 0.00 C ATOM 644 CG GLN A 43 1.920 -0.210 -12.351 1.00 0.00 C ATOM 645 CD GLN A 43 3.272 -0.852 -12.098 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.519 -1.988 -12.501 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.167 -0.122 -11.450 1.00 0.00 N ATOM 0 H GLN A 43 0.262 1.873 -9.946 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.715 0.418 -12.336 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.374 -0.428 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.572 -1.554 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.536 -0.553 -13.312 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.046 0.870 -12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.925 0.816 -11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.098 -0.498 -11.270 1.00 0.00 H new ATOM 656 N PRO A 44 -2.621 0.506 -10.432 1.00 0.00 N ATOM 657 CA PRO A 44 -3.722 0.183 -9.540 1.00 0.00 C ATOM 658 C PRO A 44 -4.772 -0.723 -10.177 1.00 0.00 C ATOM 659 O PRO A 44 -4.682 -1.090 -11.350 1.00 0.00 O ATOM 660 CB PRO A 44 -4.316 1.564 -9.290 1.00 0.00 C ATOM 661 CG PRO A 44 -4.119 2.305 -10.580 1.00 0.00 C ATOM 662 CD PRO A 44 -2.995 1.611 -11.328 1.00 0.00 C ATOM 0 HA PRO A 44 -3.395 -0.363 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.372 1.499 -9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.813 2.067 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.035 2.300 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.868 3.349 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.325 1.246 -12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.157 2.284 -11.508 1.00 0.00 H new ATOM 670 N PHE A 45 -5.767 -1.070 -9.377 1.00 0.00 N ATOM 671 CA PHE A 45 -6.924 -1.811 -9.842 1.00 0.00 C ATOM 672 C PHE A 45 -8.119 -0.867 -9.863 1.00 0.00 C ATOM 673 O PHE A 45 -8.180 0.058 -9.052 1.00 0.00 O ATOM 674 CB PHE A 45 -7.186 -3.034 -8.945 1.00 0.00 C ATOM 675 CG PHE A 45 -6.996 -2.778 -7.478 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.984 -2.157 -6.739 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.833 -3.171 -6.840 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.819 -1.928 -5.390 1.00 0.00 C ATOM 679 CE2 PHE A 45 -5.660 -2.944 -5.491 1.00 0.00 C ATOM 680 CZ PHE A 45 -6.655 -2.321 -4.764 1.00 0.00 C ATOM 0 H PHE A 45 -5.793 -0.844 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.746 -2.191 -10.848 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.206 -3.380 -9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.521 -3.842 -9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.898 -1.847 -7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.053 -3.660 -7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.600 -1.442 -4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.747 -3.253 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.522 -2.142 -3.707 1.00 0.00 H new ATOM 690 N PRO A 46 -9.058 -1.059 -10.811 1.00 0.00 N ATOM 691 CA PRO A 46 -10.200 -0.141 -11.056 1.00 0.00 C ATOM 692 C PRO A 46 -11.134 0.065 -9.851 1.00 0.00 C ATOM 693 O PRO A 46 -12.232 0.604 -9.991 1.00 0.00 O ATOM 694 CB PRO A 46 -10.964 -0.828 -12.194 1.00 0.00 C ATOM 695 CG PRO A 46 -9.952 -1.685 -12.856 1.00 0.00 C ATOM 696 CD PRO A 46 -9.082 -2.195 -11.748 1.00 0.00 C ATOM 0 HA PRO A 46 -9.837 0.863 -11.278 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.797 -1.419 -11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.382 -0.099 -12.888 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.424 -2.506 -13.396 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.371 -1.118 -13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.496 -3.092 -11.287 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.083 -2.450 -12.102 1.00 0.00 H new ATOM 704 N GLY A 47 -10.706 -0.375 -8.681 1.00 0.00 N ATOM 705 CA GLY A 47 -11.463 -0.143 -7.473 1.00 0.00 C ATOM 706 C GLY A 47 -10.591 0.406 -6.368 1.00 0.00 C ATOM 707 O GLY A 47 -10.933 0.314 -5.197 1.00 0.00 O ATOM 0 H GLY A 47 -9.838 -0.894 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.273 0.556 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.922 -1.076 -7.146 1.00 0.00 H new ATOM 711 N PHE A 48 -9.447 0.951 -6.742 1.00 0.00 N ATOM 712 CA PHE A 48 -8.534 1.546 -5.783 1.00 0.00 C ATOM 713 C PHE A 48 -9.006 2.944 -5.396 1.00 0.00 C ATOM 714 O PHE A 48 -9.523 3.693 -6.228 1.00 0.00 O ATOM 715 CB PHE A 48 -7.128 1.591 -6.374 1.00 0.00 C ATOM 716 CG PHE A 48 -6.087 1.892 -5.350 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.830 3.193 -4.990 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.382 0.872 -4.729 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.895 3.484 -4.035 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.437 1.159 -3.768 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.195 2.471 -3.419 1.00 0.00 C ATOM 0 H PHE A 48 -9.127 0.994 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.515 0.936 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.904 0.633 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.091 2.347 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.373 3.996 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.575 -0.155 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.705 4.512 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.889 0.360 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.458 2.703 -2.664 1.00 0.00 H new ATOM 731 N ILE A 49 -8.825 3.279 -4.126 1.00 0.00 N ATOM 732 CA ILE A 49 -9.310 4.536 -3.578 1.00 0.00 C ATOM 733 C ILE A 49 -8.156 5.496 -3.291 1.00 0.00 C ATOM 734 O ILE A 49 -8.097 6.588 -3.852 1.00 0.00 O ATOM 735 CB ILE A 49 -10.113 4.288 -2.278 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.393 3.496 -2.572 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.446 5.589 -1.568 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.391 4.214 -3.451 1.00 0.00 C ATOM 0 H ILE A 49 -8.340 2.689 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.963 4.990 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.482 3.698 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.120 2.555 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.875 3.247 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.010 5.374 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.523 6.108 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.044 6.220 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.263 3.579 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.698 5.142 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.932 4.440 -4.414 1.00 0.00 H new ATOM 750 N GLU A 50 -7.226 5.074 -2.435 1.00 0.00 N ATOM 751 CA GLU A 50 -6.150 5.955 -1.983 1.00 0.00 C ATOM 752 C GLU A 50 -5.073 5.177 -1.234 1.00 0.00 C ATOM 753 O GLU A 50 -5.376 4.262 -0.493 1.00 0.00 O ATOM 754 CB GLU A 50 -6.723 7.038 -1.065 1.00 0.00 C ATOM 755 CG GLU A 50 -5.693 8.048 -0.588 1.00 0.00 C ATOM 756 CD GLU A 50 -6.323 9.278 0.024 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.759 10.161 -0.745 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.381 9.374 1.268 1.00 0.00 O ATOM 0 H GLU A 50 -7.196 4.133 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.695 6.411 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.517 7.565 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.179 6.561 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.040 7.576 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.066 8.346 -1.428 1.00 0.00 H new ATOM 765 N CYS A 51 -3.819 5.537 -1.437 1.00 0.00 N ATOM 766 CA CYS A 51 -2.730 4.960 -0.668 1.00 0.00 C ATOM 767 C CYS A 51 -1.863 6.068 -0.098 1.00 0.00 C ATOM 768 O CYS A 51 -1.286 6.865 -0.838 1.00 0.00 O ATOM 769 CB CYS A 51 -1.900 4.012 -1.531 1.00 0.00 C ATOM 770 SG CYS A 51 -1.651 4.587 -3.227 1.00 0.00 S ATOM 0 H CYS A 51 -3.528 6.228 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.148 4.380 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.927 3.867 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.389 3.038 -1.557 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.586 5.331 -3.281 1.00 0.00 H new ATOM 776 N ILE A 52 -1.787 6.123 1.219 1.00 0.00 N ATOM 777 CA ILE A 52 -1.074 7.194 1.894 1.00 0.00 C ATOM 778 C ILE A 52 0.050 6.661 2.775 1.00 0.00 C ATOM 779 O ILE A 52 -0.126 5.681 3.505 1.00 0.00 O ATOM 780 CB ILE A 52 -2.034 8.052 2.735 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.082 7.173 3.420 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.701 9.091 1.850 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.864 7.883 4.504 1.00 0.00 C ATOM 0 H ILE A 52 -2.211 5.438 1.844 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.630 7.816 1.117 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.465 8.563 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.778 6.801 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.586 6.304 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.381 9.697 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.940 9.732 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.262 8.591 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.587 7.194 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.180 8.231 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.390 8.736 4.074 1.00 0.00 H new ATOM 795 N PRO A 53 1.226 7.295 2.694 1.00 0.00 N ATOM 796 CA PRO A 53 2.399 6.905 3.463 1.00 0.00 C ATOM 797 C PRO A 53 2.443 7.560 4.842 1.00 0.00 C ATOM 798 O PRO A 53 2.102 8.735 4.998 1.00 0.00 O ATOM 799 CB PRO A 53 3.545 7.403 2.590 1.00 0.00 C ATOM 800 CG PRO A 53 3.008 8.600 1.873 1.00 0.00 C ATOM 801 CD PRO A 53 1.503 8.463 1.837 1.00 0.00 C ATOM 0 HA PRO A 53 2.425 5.835 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.414 7.664 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.865 6.635 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.298 9.517 2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.413 8.657 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.012 9.360 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.141 8.306 0.821 1.00 0.00 H new ATOM 809 N ALA A 54 2.853 6.794 5.838 1.00 0.00 N ATOM 810 CA ALA A 54 2.964 7.295 7.199 1.00 0.00 C ATOM 811 C ALA A 54 4.334 6.975 7.787 1.00 0.00 C ATOM 812 O ALA A 54 4.437 6.247 8.780 1.00 0.00 O ATOM 813 CB ALA A 54 1.858 6.711 8.068 1.00 0.00 C ATOM 0 H ALA A 54 3.117 5.815 5.729 1.00 0.00 H new ATOM 0 HA ALA A 54 2.853 8.379 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.953 7.094 9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.887 6.996 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.941 5.624 8.081 1.00 0.00 H new ATOM 819 N PHE A 55 5.381 7.475 7.124 1.00 0.00 N ATOM 820 CA PHE A 55 6.765 7.403 7.616 1.00 0.00 C ATOM 821 C PHE A 55 7.357 5.999 7.466 1.00 0.00 C ATOM 822 O PHE A 55 8.456 5.833 6.940 1.00 0.00 O ATOM 823 CB PHE A 55 6.849 7.877 9.075 1.00 0.00 C ATOM 824 CG PHE A 55 8.247 7.946 9.616 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.106 8.956 9.218 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.699 7.006 10.526 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.391 9.028 9.717 1.00 0.00 C ATOM 828 CE2 PHE A 55 9.982 7.071 11.027 1.00 0.00 C ATOM 829 CZ PHE A 55 10.831 8.084 10.622 1.00 0.00 C ATOM 0 H PHE A 55 5.294 7.945 6.223 1.00 0.00 H new ATOM 0 HA PHE A 55 7.363 8.072 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.392 8.863 9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.262 7.203 9.699 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.767 9.696 8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.040 6.213 10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.051 9.822 9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.323 6.331 11.735 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.836 8.136 11.013 1.00 0.00 H new ATOM 839 N THR A 56 6.633 4.999 7.942 1.00 0.00 N ATOM 840 CA THR A 56 7.063 3.613 7.835 1.00 0.00 C ATOM 841 C THR A 56 5.884 2.702 7.485 1.00 0.00 C ATOM 842 O THR A 56 6.065 1.545 7.105 1.00 0.00 O ATOM 843 CB THR A 56 7.740 3.137 9.146 1.00 0.00 C ATOM 844 OG1 THR A 56 7.832 1.709 9.180 1.00 0.00 O ATOM 845 CG2 THR A 56 6.975 3.624 10.368 1.00 0.00 C ATOM 0 H THR A 56 5.736 5.123 8.411 1.00 0.00 H new ATOM 0 HA THR A 56 7.796 3.554 7.030 1.00 0.00 H new ATOM 0 HB THR A 56 8.744 3.562 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.748 1.435 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.473 3.275 11.272 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.945 4.714 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.958 3.233 10.340 1.00 0.00 H new ATOM 853 N SER A 57 4.673 3.226 7.596 1.00 0.00 N ATOM 854 CA SER A 57 3.487 2.431 7.324 1.00 0.00 C ATOM 855 C SER A 57 2.728 2.970 6.116 1.00 0.00 C ATOM 856 O SER A 57 2.520 4.171 5.986 1.00 0.00 O ATOM 857 CB SER A 57 2.590 2.412 8.559 1.00 0.00 C ATOM 858 OG SER A 57 3.332 2.029 9.705 1.00 0.00 O ATOM 0 H SER A 57 4.487 4.191 7.870 1.00 0.00 H new ATOM 0 HA SER A 57 3.796 1.412 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.153 3.399 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.763 1.718 8.405 1.00 0.00 H new ATOM 0 HG SER A 57 2.744 2.023 10.489 1.00 0.00 H new ATOM 864 N LEU A 58 2.333 2.073 5.235 1.00 0.00 N ATOM 865 CA LEU A 58 1.583 2.428 4.045 1.00 0.00 C ATOM 866 C LEU A 58 0.112 2.082 4.240 1.00 0.00 C ATOM 867 O LEU A 58 -0.242 0.920 4.426 1.00 0.00 O ATOM 868 CB LEU A 58 2.147 1.678 2.838 1.00 0.00 C ATOM 869 CG LEU A 58 1.501 2.011 1.492 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.814 3.443 1.084 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.974 1.033 0.428 1.00 0.00 C ATOM 0 H LEU A 58 2.523 1.075 5.324 1.00 0.00 H new ATOM 0 HA LEU A 58 1.672 3.500 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.215 1.887 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.042 0.608 3.016 1.00 0.00 H new ATOM 0 HG LEU A 58 0.420 1.919 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.345 3.659 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.428 4.129 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.893 3.569 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.508 1.280 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.058 1.098 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.696 0.019 0.716 1.00 0.00 H new ATOM 883 N THR A 59 -0.737 3.089 4.214 1.00 0.00 N ATOM 884 CA THR A 59 -2.161 2.899 4.431 1.00 0.00 C ATOM 885 C THR A 59 -2.877 2.825 3.078 1.00 0.00 C ATOM 886 O THR A 59 -2.903 3.803 2.331 1.00 0.00 O ATOM 887 CB THR A 59 -2.720 4.069 5.259 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.810 4.377 6.325 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.076 3.725 5.843 1.00 0.00 C ATOM 0 H THR A 59 -0.464 4.057 4.043 1.00 0.00 H new ATOM 0 HA THR A 59 -2.326 1.969 4.976 1.00 0.00 H new ATOM 0 HB THR A 59 -2.835 4.931 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.164 5.123 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.447 4.570 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.774 3.504 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.983 2.853 6.491 1.00 0.00 H new ATOM 897 N VAL A 60 -3.443 1.668 2.766 1.00 0.00 N ATOM 898 CA VAL A 60 -3.978 1.402 1.440 1.00 0.00 C ATOM 899 C VAL A 60 -5.501 1.298 1.465 1.00 0.00 C ATOM 900 O VAL A 60 -6.077 0.345 1.990 1.00 0.00 O ATOM 901 CB VAL A 60 -3.378 0.101 0.860 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.889 -0.168 -0.546 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.862 0.178 0.863 1.00 0.00 C ATOM 0 H VAL A 60 -3.544 0.892 3.421 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.699 2.241 0.802 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.695 -0.727 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.447 -1.090 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.974 -0.267 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.613 0.660 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.450 -0.744 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.539 1.023 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.506 0.311 1.885 1.00 0.00 H new ATOM 913 N PHE A 61 -6.140 2.294 0.892 1.00 0.00 N ATOM 914 CA PHE A 61 -7.583 2.350 0.800 1.00 0.00 C ATOM 915 C PHE A 61 -8.031 1.942 -0.592 1.00 0.00 C ATOM 916 O PHE A 61 -7.369 2.245 -1.591 1.00 0.00 O ATOM 917 CB PHE A 61 -8.081 3.758 1.088 1.00 0.00 C ATOM 918 CG PHE A 61 -7.777 4.259 2.468 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.531 4.788 2.771 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.745 4.225 3.457 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.263 5.272 4.034 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.479 4.705 4.724 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.237 5.229 5.013 1.00 0.00 C ATOM 0 H PHE A 61 -5.669 3.095 0.473 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.999 1.663 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.639 4.441 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.160 3.786 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.764 4.821 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.720 3.818 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.291 5.685 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.242 4.670 5.487 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.026 5.605 6.003 1.00 0.00 H new ATOM 933 N TYR A 62 -9.168 1.288 -0.653 1.00 0.00 N ATOM 934 CA TYR A 62 -9.699 0.761 -1.896 1.00 0.00 C ATOM 935 C TYR A 62 -11.148 0.366 -1.686 1.00 0.00 C ATOM 936 O TYR A 62 -11.618 0.298 -0.550 1.00 0.00 O ATOM 937 CB TYR A 62 -8.876 -0.436 -2.383 1.00 0.00 C ATOM 938 CG TYR A 62 -8.534 -1.416 -1.292 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.520 -2.162 -0.669 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.223 -1.587 -0.879 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.208 -3.050 0.331 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.907 -2.477 0.123 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.908 -3.205 0.721 1.00 0.00 C ATOM 944 OH TYR A 62 -7.616 -4.096 1.717 1.00 0.00 O ATOM 0 H TYR A 62 -9.756 1.104 0.160 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.640 1.531 -2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.431 -0.954 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.953 -0.072 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.549 -2.044 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.438 -1.014 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.988 -3.624 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.881 -2.602 0.437 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.440 -4.342 2.188 1.00 0.00 H new ATOM 954 N ASP A 63 -11.853 0.120 -2.767 1.00 0.00 N ATOM 955 CA ASP A 63 -13.248 -0.228 -2.691 1.00 0.00 C ATOM 956 C ASP A 63 -13.407 -1.722 -2.890 1.00 0.00 C ATOM 957 O ASP A 63 -12.900 -2.299 -3.858 1.00 0.00 O ATOM 958 CB ASP A 63 -14.046 0.542 -3.732 1.00 0.00 C ATOM 959 CG ASP A 63 -15.507 0.654 -3.341 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.257 -0.320 -3.549 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.908 1.716 -2.820 1.00 0.00 O ATOM 0 H ASP A 63 -11.477 0.156 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.632 0.041 -1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.623 1.539 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.964 0.043 -4.697 1.00 0.00 H new ATOM 966 N MET A 64 -14.119 -2.331 -1.966 1.00 0.00 N ATOM 967 CA MET A 64 -14.247 -3.780 -1.893 1.00 0.00 C ATOM 968 C MET A 64 -14.918 -4.380 -3.133 1.00 0.00 C ATOM 969 O MET A 64 -14.747 -5.562 -3.407 1.00 0.00 O ATOM 970 CB MET A 64 -15.029 -4.180 -0.634 1.00 0.00 C ATOM 971 CG MET A 64 -16.428 -3.586 -0.575 1.00 0.00 C ATOM 972 SD MET A 64 -16.412 -1.815 -0.214 1.00 0.00 S ATOM 973 CE MET A 64 -17.961 -1.304 -0.945 1.00 0.00 C ATOM 0 H MET A 64 -14.631 -1.835 -1.236 1.00 0.00 H new ATOM 0 HA MET A 64 -13.235 -4.183 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 64 -15.102 -5.267 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 64 -14.471 -3.863 0.247 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.932 -3.755 -1.527 1.00 0.00 H new ATOM 0 HG3 MET A 64 -17.008 -4.104 0.189 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.094 -0.231 -0.803 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.952 -1.531 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 64 -18.782 -1.838 -0.467 1.00 0.00 H new ATOM 983 N TYR A 65 -15.657 -3.574 -3.890 1.00 0.00 N ATOM 984 CA TYR A 65 -16.426 -4.097 -5.022 1.00 0.00 C ATOM 985 C TYR A 65 -15.513 -4.666 -6.109 1.00 0.00 C ATOM 986 O TYR A 65 -15.847 -5.656 -6.759 1.00 0.00 O ATOM 987 CB TYR A 65 -17.339 -3.008 -5.620 1.00 0.00 C ATOM 988 CG TYR A 65 -16.685 -2.132 -6.681 1.00 0.00 C ATOM 989 CD1 TYR A 65 -15.802 -1.116 -6.338 1.00 0.00 C ATOM 990 CD2 TYR A 65 -16.960 -2.325 -8.029 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.214 -0.319 -7.304 1.00 0.00 C ATOM 992 CE2 TYR A 65 -16.375 -1.534 -9.001 1.00 0.00 C ATOM 993 CZ TYR A 65 -15.503 -0.533 -8.635 1.00 0.00 C ATOM 994 OH TYR A 65 -14.918 0.258 -9.602 1.00 0.00 O ATOM 0 H TYR A 65 -15.742 -2.568 -3.746 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.047 -4.907 -4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.215 -3.488 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.695 -2.369 -4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.570 -0.945 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.644 -3.108 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.532 0.467 -7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.601 -1.701 -10.044 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.943 0.205 -9.522 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.354 -4.050 -6.298 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.482 -4.414 -7.403 1.00 0.00 C ATOM 1006 C GLU A 66 -12.487 -5.463 -6.942 1.00 0.00 C ATOM 1007 O GLU A 66 -12.015 -6.291 -7.719 1.00 0.00 O ATOM 1008 CB GLU A 66 -12.762 -3.181 -7.942 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.733 -3.095 -9.464 1.00 0.00 C ATOM 1010 CD GLU A 66 -11.948 -4.216 -10.111 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.765 -4.384 -9.766 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.510 -4.921 -10.979 1.00 0.00 O ATOM 0 H GLU A 66 -13.999 -3.301 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.082 -4.831 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.247 -2.288 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.738 -3.179 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.755 -3.111 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.299 -2.139 -9.759 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.173 -5.429 -5.661 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.292 -6.422 -5.093 1.00 0.00 C ATOM 1021 C VAL A 67 -12.042 -7.745 -4.991 1.00 0.00 C ATOM 1022 O VAL A 67 -11.474 -8.807 -5.200 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.735 -5.974 -3.720 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.287 -4.521 -3.796 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.747 -6.157 -2.599 1.00 0.00 C ATOM 0 H VAL A 67 -12.513 -4.729 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.428 -6.549 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.881 -6.610 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.896 -4.210 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.508 -4.419 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.136 -3.892 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.309 -5.829 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.637 -5.564 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.021 -7.209 -2.525 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.341 -7.642 -4.714 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.253 -8.778 -4.720 1.00 0.00 C ATOM 1037 C TYR A 68 -14.516 -9.224 -6.153 1.00 0.00 C ATOM 1038 O TYR A 68 -14.891 -10.366 -6.402 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.562 -8.391 -4.022 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.505 -9.547 -3.769 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.306 -10.400 -2.690 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.599 -9.782 -4.596 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.164 -11.452 -2.442 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.462 -10.834 -4.355 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.241 -11.665 -3.277 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.100 -12.710 -3.029 1.00 0.00 O ATOM 0 H TYR A 68 -13.791 -6.758 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.803 -9.610 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.325 -7.917 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.076 -7.646 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.464 -10.237 -2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.777 -9.132 -5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.993 -12.105 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.305 -11.005 -5.008 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.806 -12.721 -3.708 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.308 -8.306 -7.092 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.390 -8.621 -8.508 1.00 0.00 C ATOM 1058 C LYS A 69 -13.258 -9.577 -8.857 1.00 0.00 C ATOM 1059 O LYS A 69 -13.335 -10.350 -9.812 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.271 -7.349 -9.331 1.00 0.00 C ATOM 1061 CG LYS A 69 -14.757 -7.478 -10.765 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.262 -7.306 -10.845 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.682 -5.935 -10.338 1.00 0.00 C ATOM 1064 NZ LYS A 69 -18.152 -5.757 -10.394 1.00 0.00 N ATOM 0 H LYS A 69 -14.080 -7.332 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.350 -9.086 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.837 -6.559 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.227 -7.034 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.268 -6.729 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.477 -8.454 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.592 -7.433 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.752 -8.081 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.339 -5.806 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.199 -5.162 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.401 -4.811 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.476 -5.856 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.612 -6.479 -9.804 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.199 -9.492 -8.064 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.096 -10.429 -8.139 1.00 0.00 C ATOM 1080 C HIS A 70 -11.385 -11.603 -7.210 1.00 0.00 C ATOM 1081 O HIS A 70 -11.770 -12.674 -7.678 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.772 -9.755 -7.741 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.259 -8.749 -8.732 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.794 -7.485 -8.884 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.234 -8.826 -9.616 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -9.122 -6.835 -9.816 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -8.174 -7.623 -10.275 1.00 0.00 N ATOM 0 H HIS A 70 -12.084 -8.771 -7.352 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.996 -10.780 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.906 -9.261 -6.778 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.015 -10.526 -7.601 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.585 -7.112 -8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.586 -9.675 -9.773 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.318 -5.826 -10.146 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.236 -11.346 -5.898 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.433 -12.334 -4.823 1.00 0.00 C ATOM 1098 C LEU A 71 -11.248 -13.781 -5.301 1.00 0.00 C ATOM 1099 O LEU A 71 -12.201 -14.567 -5.308 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.814 -12.162 -4.174 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.817 -11.635 -2.726 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.115 -12.602 -1.781 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.169 -10.261 -2.640 1.00 0.00 C ATOM 0 H LEU A 71 -10.969 -10.426 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.658 -12.142 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.401 -11.480 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.324 -13.125 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.859 -11.549 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.135 -12.200 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.626 -13.564 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.081 -12.734 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.186 -9.915 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.137 -10.323 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.720 -9.559 -3.267 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.019 -14.152 -5.710 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.739 -15.479 -6.269 1.00 0.00 C ATOM 1117 C PRO A 72 -10.048 -16.588 -5.274 1.00 0.00 C ATOM 1118 O PRO A 72 -9.835 -16.429 -4.072 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.237 -15.437 -6.580 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.894 -13.989 -6.624 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.808 -13.323 -5.640 1.00 0.00 C ATOM 0 HA PRO A 72 -10.354 -15.692 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.661 -15.956 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.017 -15.924 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.849 -13.826 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.036 -13.584 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.383 -13.311 -4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.010 -12.287 -5.912 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.556 -17.707 -5.772 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.914 -18.824 -4.911 1.00 0.00 C ATOM 1131 C GLN A 73 -9.676 -19.377 -4.233 1.00 0.00 C ATOM 1132 O GLN A 73 -8.823 -20.005 -4.863 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.634 -19.907 -5.706 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.939 -19.419 -6.312 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.896 -18.863 -5.270 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.688 -19.597 -4.683 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.848 -17.555 -5.052 1.00 0.00 N ATOM 0 H GLN A 73 -10.729 -17.865 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.597 -18.468 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.980 -20.264 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.836 -20.757 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.726 -18.648 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.421 -20.242 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.177 -16.978 -5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.482 -17.127 -4.378 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.594 -19.118 -2.945 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.404 -19.398 -2.181 1.00 0.00 C ATOM 1148 C GLY A 74 -8.099 -18.222 -1.293 1.00 0.00 C ATOM 1149 O GLY A 74 -7.535 -18.363 -0.210 1.00 0.00 O ATOM 0 H GLY A 74 -10.353 -18.707 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.546 -20.296 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.565 -19.592 -2.850 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.488 -17.052 -1.780 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.468 -15.823 -1.011 1.00 0.00 C ATOM 1155 C ILE A 75 -9.776 -15.707 -0.248 1.00 0.00 C ATOM 1156 O ILE A 75 -10.856 -15.782 -0.832 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.308 -14.612 -1.945 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.066 -14.786 -2.828 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.229 -13.329 -1.140 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.750 -14.521 -2.122 1.00 0.00 C ATOM 0 H ILE A 75 -8.830 -16.932 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.627 -15.841 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.182 -14.549 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.055 -15.803 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.147 -14.115 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.116 -12.482 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.142 -13.209 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.372 -13.374 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.926 -14.667 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.735 -13.495 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.642 -15.210 -1.284 1.00 0.00 H new ATOM 1172 N SER A 76 -9.676 -15.543 1.053 1.00 0.00 N ATOM 1173 CA SER A 76 -10.845 -15.526 1.906 1.00 0.00 C ATOM 1174 C SER A 76 -11.174 -14.100 2.321 1.00 0.00 C ATOM 1175 O SER A 76 -12.142 -13.849 3.039 1.00 0.00 O ATOM 1176 CB SER A 76 -10.564 -16.381 3.136 1.00 0.00 C ATOM 1177 OG SER A 76 -11.700 -16.491 3.977 1.00 0.00 O ATOM 0 H SER A 76 -8.792 -15.419 1.546 1.00 0.00 H new ATOM 0 HA SER A 76 -11.701 -15.928 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.248 -17.376 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.737 -15.947 3.698 1.00 0.00 H new ATOM 0 HG SER A 76 -12.179 -15.636 3.993 1.00 0.00 H new ATOM 1183 N SER A 77 -10.368 -13.168 1.853 1.00 0.00 N ATOM 1184 CA SER A 77 -10.451 -11.804 2.325 1.00 0.00 C ATOM 1185 C SER A 77 -10.179 -10.792 1.212 1.00 0.00 C ATOM 1186 O SER A 77 -9.233 -10.936 0.441 1.00 0.00 O ATOM 1187 CB SER A 77 -9.435 -11.634 3.441 1.00 0.00 C ATOM 1188 OG SER A 77 -9.482 -10.331 3.989 1.00 0.00 O ATOM 0 H SER A 77 -9.650 -13.332 1.147 1.00 0.00 H new ATOM 0 HA SER A 77 -11.463 -11.614 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.627 -12.367 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.434 -11.833 3.057 1.00 0.00 H new ATOM 0 HG SER A 77 -8.606 -10.102 4.365 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.032 -9.755 1.124 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.850 -8.627 0.201 1.00 0.00 C ATOM 1196 C PRO A 78 -9.452 -8.019 0.276 1.00 0.00 C ATOM 1197 O PRO A 78 -8.798 -7.830 -0.741 1.00 0.00 O ATOM 1198 CB PRO A 78 -11.899 -7.619 0.674 1.00 0.00 C ATOM 1199 CG PRO A 78 -12.976 -8.461 1.258 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.281 -9.629 1.902 1.00 0.00 C ATOM 0 HA PRO A 78 -10.962 -8.932 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.486 -6.932 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.271 -7.013 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.557 -7.900 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.671 -8.796 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.080 -9.445 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.883 -10.536 1.845 1.00 0.00 H new ATOM 1208 N PHE A 79 -8.999 -7.708 1.485 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.669 -7.146 1.677 1.00 0.00 C ATOM 1210 C PHE A 79 -6.593 -8.132 1.238 1.00 0.00 C ATOM 1211 O PHE A 79 -5.533 -7.741 0.753 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.486 -6.734 3.144 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.603 -7.629 3.977 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.076 -8.825 4.489 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.302 -7.256 4.262 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.267 -9.635 5.262 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.491 -8.057 5.034 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.971 -9.249 5.535 1.00 0.00 C ATOM 0 H PHE A 79 -9.533 -7.835 2.345 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.567 -6.257 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.074 -5.725 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.469 -6.688 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.091 -9.129 4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.917 -6.324 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.648 -10.568 5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.477 -7.752 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.334 -9.878 6.139 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.896 -9.412 1.367 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.934 -10.457 1.089 1.00 0.00 C ATOM 1230 C GLU A 80 -5.696 -10.610 -0.415 1.00 0.00 C ATOM 1231 O GLU A 80 -4.610 -11.017 -0.833 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.408 -11.766 1.720 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.548 -12.973 1.392 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.019 -14.229 2.097 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.102 -14.747 1.757 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.293 -14.712 2.990 1.00 0.00 O ATOM 0 H GLU A 80 -7.810 -9.752 1.666 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.976 -10.183 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.439 -11.642 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.429 -11.964 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.557 -13.140 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.515 -12.767 1.674 1.00 0.00 H new ATOM 1243 N SER A 81 -6.687 -10.257 -1.232 1.00 0.00 N ATOM 1244 CA SER A 81 -6.513 -10.337 -2.675 1.00 0.00 C ATOM 1245 C SER A 81 -5.721 -9.130 -3.150 1.00 0.00 C ATOM 1246 O SER A 81 -4.864 -9.227 -4.025 1.00 0.00 O ATOM 1247 CB SER A 81 -7.865 -10.405 -3.397 1.00 0.00 C ATOM 1248 OG SER A 81 -8.642 -9.243 -3.167 1.00 0.00 O ATOM 0 H SER A 81 -7.599 -9.920 -0.925 1.00 0.00 H new ATOM 0 HA SER A 81 -5.968 -11.251 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.700 -10.526 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.415 -11.283 -3.058 1.00 0.00 H new ATOM 0 HG SER A 81 -8.498 -8.929 -2.250 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.008 -7.998 -2.524 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.348 -6.738 -2.828 1.00 0.00 C ATOM 1256 C VAL A 82 -3.863 -6.808 -2.517 1.00 0.00 C ATOM 1257 O VAL A 82 -3.051 -6.149 -3.175 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.971 -5.603 -2.010 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.313 -4.277 -2.340 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.470 -5.544 -2.244 1.00 0.00 C ATOM 0 H VAL A 82 -6.709 -7.928 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.480 -6.546 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.800 -5.804 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.772 -3.486 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.249 -4.332 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.445 -4.059 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.898 -4.732 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.667 -5.369 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.923 -6.489 -1.943 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.510 -7.601 -1.508 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.113 -7.808 -1.172 1.00 0.00 C ATOM 1272 C LYS A 83 -1.365 -8.233 -2.416 1.00 0.00 C ATOM 1273 O LYS A 83 -0.304 -7.724 -2.718 1.00 0.00 O ATOM 1274 CB LYS A 83 -1.936 -8.888 -0.105 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.512 -8.558 1.255 1.00 0.00 C ATOM 1276 CD LYS A 83 -1.839 -9.357 2.376 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.682 -10.839 2.046 1.00 0.00 C ATOM 1278 NZ LYS A 83 -0.435 -11.116 1.269 1.00 0.00 N ATOM 0 H LYS A 83 -4.170 -8.105 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.722 -6.870 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.398 -9.808 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.871 -9.090 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.394 -7.492 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.582 -8.765 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.857 -8.930 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.425 -9.255 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.667 -11.416 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.547 -11.176 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.094 -12.074 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.637 -11.046 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.295 -10.421 1.525 1.00 0.00 H new ATOM 1292 N ARG A 84 -1.972 -9.133 -3.165 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.333 -9.725 -4.330 1.00 0.00 C ATOM 1294 C ARG A 84 -1.078 -8.666 -5.391 1.00 0.00 C ATOM 1295 O ARG A 84 -0.005 -8.620 -5.992 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.209 -10.845 -4.882 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.689 -11.793 -3.800 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.516 -12.383 -3.025 1.00 0.00 C ATOM 1299 NE ARG A 84 -0.600 -13.116 -3.899 1.00 0.00 N ATOM 1300 CZ ARG A 84 0.704 -12.842 -4.027 1.00 0.00 C ATOM 1301 NH1 ARG A 84 1.272 -11.883 -3.305 1.00 0.00 N ATOM 1302 NH2 ARG A 84 1.446 -13.543 -4.874 1.00 0.00 N ATOM 0 H ARG A 84 -2.916 -9.475 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.371 -10.145 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.071 -10.411 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.648 -11.406 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.351 -11.263 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.273 -12.597 -4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.975 -11.583 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.892 -13.051 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.980 -13.887 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.714 -11.345 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.267 -11.685 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.023 -14.289 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.440 -13.336 -4.973 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.062 -7.798 -5.576 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.971 -6.708 -6.530 1.00 0.00 C ATOM 1318 C ASP A 85 -0.811 -5.783 -6.186 1.00 0.00 C ATOM 1319 O ASP A 85 -0.105 -5.299 -7.069 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.283 -5.913 -6.554 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.433 -6.693 -7.165 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.560 -6.693 -8.409 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.219 -7.304 -6.408 1.00 0.00 O ATOM 0 H ASP A 85 -2.946 -7.832 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.793 -7.134 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.546 -5.624 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.134 -4.992 -7.118 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.608 -5.530 -4.903 1.00 0.00 N ATOM 1329 CA VAL A 86 0.456 -4.634 -4.487 1.00 0.00 C ATOM 1330 C VAL A 86 1.791 -5.370 -4.313 1.00 0.00 C ATOM 1331 O VAL A 86 2.818 -4.873 -4.743 1.00 0.00 O ATOM 1332 CB VAL A 86 0.088 -3.848 -3.204 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.184 -3.051 -3.425 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.058 -4.759 -1.994 1.00 0.00 C ATOM 0 H VAL A 86 -1.158 -5.927 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 86 0.579 -3.910 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 86 0.909 -3.163 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.432 -2.503 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.035 -2.347 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.000 -3.730 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.316 -4.163 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.845 -5.489 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.883 -5.279 -1.814 1.00 0.00 H new ATOM 1344 N GLU A 87 1.762 -6.566 -3.726 1.00 0.00 N ATOM 1345 CA GLU A 87 2.979 -7.327 -3.414 1.00 0.00 C ATOM 1346 C GLU A 87 3.791 -7.670 -4.664 1.00 0.00 C ATOM 1347 O GLU A 87 5.014 -7.588 -4.648 1.00 0.00 O ATOM 1348 CB GLU A 87 2.632 -8.626 -2.662 1.00 0.00 C ATOM 1349 CG GLU A 87 2.107 -8.414 -1.244 1.00 0.00 C ATOM 1350 CD GLU A 87 1.548 -9.688 -0.611 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.637 -10.312 -1.206 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.982 -10.055 0.500 1.00 0.00 O ATOM 0 H GLU A 87 0.899 -7.036 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 87 3.591 -6.684 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.884 -9.174 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.522 -9.254 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.913 -8.029 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.327 -7.653 -1.263 1.00 0.00 H new ATOM 1359 N GLU A 88 3.128 -8.060 -5.745 1.00 0.00 N ATOM 1360 CA GLU A 88 3.850 -8.411 -6.970 1.00 0.00 C ATOM 1361 C GLU A 88 4.687 -7.229 -7.474 1.00 0.00 C ATOM 1362 O GLU A 88 5.736 -7.411 -8.084 1.00 0.00 O ATOM 1363 CB GLU A 88 2.887 -8.897 -8.058 1.00 0.00 C ATOM 1364 CG GLU A 88 1.784 -7.912 -8.400 1.00 0.00 C ATOM 1365 CD GLU A 88 0.967 -8.354 -9.596 1.00 0.00 C ATOM 1366 OE1 GLU A 88 1.395 -8.086 -10.736 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -0.101 -8.971 -9.403 1.00 0.00 O ATOM 0 H GLU A 88 2.113 -8.142 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 88 4.529 -9.229 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.457 -9.114 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.434 -9.834 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 88 1.127 -7.793 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.223 -6.935 -8.604 1.00 0.00 H new ATOM 1374 N ARG A 89 4.206 -6.019 -7.216 1.00 0.00 N ATOM 1375 CA ARG A 89 4.929 -4.803 -7.562 1.00 0.00 C ATOM 1376 C ARG A 89 5.853 -4.379 -6.423 1.00 0.00 C ATOM 1377 O ARG A 89 7.061 -4.238 -6.596 1.00 0.00 O ATOM 1378 CB ARG A 89 3.946 -3.678 -7.890 1.00 0.00 C ATOM 1379 CG ARG A 89 3.520 -3.630 -9.350 1.00 0.00 C ATOM 1380 CD ARG A 89 2.708 -4.850 -9.756 1.00 0.00 C ATOM 1381 NE ARG A 89 1.309 -4.759 -9.320 1.00 0.00 N ATOM 1382 CZ ARG A 89 0.269 -4.724 -10.158 1.00 0.00 C ATOM 1383 NH1 ARG A 89 0.455 -4.768 -11.469 1.00 0.00 N ATOM 1384 NH2 ARG A 89 -0.964 -4.646 -9.678 1.00 0.00 N ATOM 0 H ARG A 89 3.307 -5.854 -6.763 1.00 0.00 H new ATOM 0 HA ARG A 89 5.540 -5.007 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.059 -3.793 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.401 -2.724 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.931 -2.730 -9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.405 -3.559 -9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.742 -4.962 -10.840 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.162 -5.744 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 89 1.120 -4.720 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.400 -4.829 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.347 -4.741 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.118 -4.613 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.759 -4.619 -10.316 1.00 0.00 H new ATOM 1398 N LEU A 90 5.250 -4.187 -5.261 1.00 0.00 N ATOM 1399 CA LEU A 90 5.932 -3.701 -4.072 1.00 0.00 C ATOM 1400 C LEU A 90 6.828 -4.771 -3.453 1.00 0.00 C ATOM 1401 O LEU A 90 8.044 -4.638 -3.454 1.00 0.00 O ATOM 1402 CB LEU A 90 4.880 -3.222 -3.059 1.00 0.00 C ATOM 1403 CG LEU A 90 5.330 -3.146 -1.599 1.00 0.00 C ATOM 1404 CD1 LEU A 90 6.457 -2.135 -1.428 1.00 0.00 C ATOM 1405 CD2 LEU A 90 4.152 -2.792 -0.704 1.00 0.00 C ATOM 0 H LEU A 90 4.257 -4.367 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 90 6.581 -2.872 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.538 -2.233 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.020 -3.889 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 90 5.710 -4.125 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.759 -2.100 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.308 -2.432 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.112 -1.149 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.485 -2.741 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.746 -1.826 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.380 -3.555 -0.800 1.00 0.00 H new ATOM 1417 N ALA A 91 6.218 -5.837 -2.954 1.00 0.00 N ATOM 1418 CA ALA A 91 6.932 -6.856 -2.190 1.00 0.00 C ATOM 1419 C ALA A 91 8.117 -7.438 -2.946 1.00 0.00 C ATOM 1420 O ALA A 91 9.124 -7.792 -2.335 1.00 0.00 O ATOM 1421 CB ALA A 91 5.997 -7.980 -1.778 1.00 0.00 C ATOM 0 H ALA A 91 5.221 -6.021 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 91 7.318 -6.353 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.553 -8.726 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.194 -7.578 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.572 -8.444 -2.668 1.00 0.00 H new ATOM 1427 N GLU A 92 8.015 -7.514 -4.270 1.00 0.00 N ATOM 1428 CA GLU A 92 9.011 -8.218 -5.084 1.00 0.00 C ATOM 1429 C GLU A 92 10.424 -7.637 -4.935 1.00 0.00 C ATOM 1430 O GLU A 92 11.397 -8.203 -5.437 1.00 0.00 O ATOM 1431 CB GLU A 92 8.610 -8.186 -6.550 1.00 0.00 C ATOM 1432 CG GLU A 92 9.188 -9.343 -7.345 1.00 0.00 C ATOM 1433 CD GLU A 92 9.285 -9.048 -8.823 1.00 0.00 C ATOM 1434 OE1 GLU A 92 8.269 -9.199 -9.535 1.00 0.00 O ATOM 1435 OE2 GLU A 92 10.380 -8.651 -9.278 1.00 0.00 O ATOM 0 H GLU A 92 7.253 -7.098 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 92 9.037 -9.245 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.523 -8.207 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.941 -7.246 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.180 -9.582 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.567 -10.226 -7.196 1.00 0.00 H new ATOM 1442 N ILE A 93 10.530 -6.532 -4.226 1.00 0.00 N ATOM 1443 CA ILE A 93 11.779 -5.808 -4.092 1.00 0.00 C ATOM 1444 C ILE A 93 12.608 -6.329 -2.913 1.00 0.00 C ATOM 1445 O ILE A 93 13.839 -6.332 -2.962 1.00 0.00 O ATOM 1446 CB ILE A 93 11.497 -4.315 -3.868 1.00 0.00 C ATOM 1447 CG1 ILE A 93 10.777 -4.141 -2.530 1.00 0.00 C ATOM 1448 CG2 ILE A 93 10.648 -3.760 -5.010 1.00 0.00 C ATOM 1449 CD1 ILE A 93 10.930 -2.764 -1.923 1.00 0.00 C ATOM 0 H ILE A 93 9.750 -6.108 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 93 12.343 -5.957 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 93 12.437 -3.763 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.716 -4.349 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.157 -4.881 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.455 -2.701 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.181 -3.884 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.701 -4.298 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.391 -2.722 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.986 -2.559 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.523 -2.018 -2.606 1.00 0.00 H new ATOM 1461 N ALA A 94 11.924 -6.779 -1.862 1.00 0.00 N ATOM 1462 CA ALA A 94 12.594 -7.148 -0.606 1.00 0.00 C ATOM 1463 C ALA A 94 11.833 -8.215 0.164 1.00 0.00 C ATOM 1464 O ALA A 94 12.418 -9.043 0.855 1.00 0.00 O ATOM 1465 CB ALA A 94 12.741 -5.928 0.293 1.00 0.00 C ATOM 0 H ALA A 94 10.911 -6.898 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 94 13.571 -7.546 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.239 -6.216 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.335 -5.170 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.755 -5.524 0.522 1.00 0.00 H new ATOM 1471 N GLU A 95 10.533 -8.203 0.003 1.00 0.00 N ATOM 1472 CA GLU A 95 9.629 -8.915 0.894 1.00 0.00 C ATOM 1473 C GLU A 95 9.055 -10.157 0.241 1.00 0.00 C ATOM 1474 O GLU A 95 8.784 -11.151 0.905 1.00 0.00 O ATOM 1475 CB GLU A 95 8.518 -7.968 1.287 1.00 0.00 C ATOM 1476 CG GLU A 95 8.661 -6.606 0.638 1.00 0.00 C ATOM 1477 CD GLU A 95 7.624 -5.618 1.118 1.00 0.00 C ATOM 1478 OE1 GLU A 95 7.876 -4.956 2.141 1.00 0.00 O ATOM 1479 OE2 GLU A 95 6.559 -5.513 0.476 1.00 0.00 O ATOM 0 H GLU A 95 10.063 -7.700 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 95 10.182 -9.248 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.558 -8.402 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.510 -7.852 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.656 -6.212 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.581 -6.714 -0.444 1.00 0.00 H new ATOM 1486 N ASP A 96 8.863 -10.072 -1.067 1.00 0.00 N ATOM 1487 CA ASP A 96 8.442 -11.219 -1.892 1.00 0.00 C ATOM 1488 C ASP A 96 9.344 -12.428 -1.659 1.00 0.00 C ATOM 1489 O ASP A 96 8.988 -13.566 -1.962 1.00 0.00 O ATOM 1490 CB ASP A 96 8.454 -10.842 -3.375 1.00 0.00 C ATOM 1491 CG ASP A 96 7.981 -11.962 -4.284 1.00 0.00 C ATOM 1492 OD1 ASP A 96 6.753 -12.164 -4.404 1.00 0.00 O ATOM 1493 OD2 ASP A 96 8.838 -12.626 -4.903 1.00 0.00 O ATOM 0 H ASP A 96 8.992 -9.210 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 96 7.427 -11.486 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.819 -9.969 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.466 -10.554 -3.661 1.00 0.00 H new ATOM 1498 N TYR A 97 10.521 -12.156 -1.122 1.00 0.00 N ATOM 1499 CA TYR A 97 11.515 -13.175 -0.846 1.00 0.00 C ATOM 1500 C TYR A 97 11.020 -14.089 0.280 1.00 0.00 C ATOM 1501 O TYR A 97 11.579 -15.161 0.531 1.00 0.00 O ATOM 1502 CB TYR A 97 12.851 -12.512 -0.491 1.00 0.00 C ATOM 1503 CG TYR A 97 13.361 -11.625 -1.607 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.779 -10.392 -1.833 1.00 0.00 C ATOM 1505 CD2 TYR A 97 14.392 -12.022 -2.449 1.00 0.00 C ATOM 1506 CE1 TYR A 97 13.188 -9.575 -2.845 1.00 0.00 C ATOM 1507 CE2 TYR A 97 14.824 -11.198 -3.477 1.00 0.00 C ATOM 1508 CZ TYR A 97 14.216 -9.972 -3.671 1.00 0.00 C ATOM 1509 OH TYR A 97 14.633 -9.146 -4.690 1.00 0.00 O ATOM 0 H TYR A 97 10.814 -11.214 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 97 11.672 -13.790 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 97 12.732 -11.920 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.591 -13.282 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.976 -10.066 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 97 14.862 -12.983 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.708 -8.620 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 97 15.631 -11.512 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 97 15.367 -9.574 -5.178 1.00 0.00 H new ATOM 1519 N GLU A 98 9.968 -13.631 0.954 1.00 0.00 N ATOM 1520 CA GLU A 98 9.218 -14.431 1.909 1.00 0.00 C ATOM 1521 C GLU A 98 7.718 -14.228 1.644 1.00 0.00 C ATOM 1522 O GLU A 98 7.341 -13.834 0.544 1.00 0.00 O ATOM 1523 CB GLU A 98 9.608 -14.066 3.349 1.00 0.00 C ATOM 1524 CG GLU A 98 9.550 -12.582 3.677 1.00 0.00 C ATOM 1525 CD GLU A 98 10.029 -12.292 5.084 1.00 0.00 C ATOM 1526 OE1 GLU A 98 9.232 -12.448 6.035 1.00 0.00 O ATOM 1527 OE2 GLU A 98 11.214 -11.924 5.253 1.00 0.00 O ATOM 0 H GLU A 98 9.611 -12.681 0.848 1.00 0.00 H new ATOM 0 HA GLU A 98 9.455 -15.488 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.949 -14.600 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.620 -14.424 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.162 -12.029 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.527 -12.225 3.562 1.00 0.00 H new ATOM 1534 N VAL A 99 6.864 -14.477 2.631 1.00 0.00 N ATOM 1535 CA VAL A 99 5.425 -14.488 2.403 1.00 0.00 C ATOM 1536 C VAL A 99 4.685 -13.858 3.574 1.00 0.00 C ATOM 1537 O VAL A 99 4.632 -14.411 4.672 1.00 0.00 O ATOM 1538 CB VAL A 99 4.882 -15.917 2.151 1.00 0.00 C ATOM 1539 CG1 VAL A 99 5.232 -16.391 0.749 1.00 0.00 C ATOM 1540 CG2 VAL A 99 5.416 -16.899 3.185 1.00 0.00 C ATOM 0 H VAL A 99 7.142 -14.673 3.592 1.00 0.00 H new ATOM 0 HA VAL A 99 5.247 -13.898 1.504 1.00 0.00 H new ATOM 0 HB VAL A 99 3.797 -15.877 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.840 -17.397 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.792 -15.715 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.315 -16.402 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.018 -17.893 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.504 -16.927 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.109 -16.581 4.181 1.00 0.00 H new ATOM 1550 N ASN A 100 4.119 -12.691 3.334 1.00 0.00 N ATOM 1551 CA ASN A 100 3.408 -11.954 4.378 1.00 0.00 C ATOM 1552 C ASN A 100 1.945 -12.377 4.462 1.00 0.00 C ATOM 1553 O ASN A 100 1.091 -11.617 4.917 1.00 0.00 O ATOM 1554 CB ASN A 100 3.481 -10.452 4.123 1.00 0.00 C ATOM 1555 CG ASN A 100 3.534 -9.653 5.411 1.00 0.00 C ATOM 1556 OD1 ASN A 100 2.507 -9.244 5.953 1.00 0.00 O ATOM 1557 ND2 ASN A 100 4.739 -9.427 5.906 1.00 0.00 N ATOM 0 H ASN A 100 4.134 -12.227 2.426 1.00 0.00 H new ATOM 0 HA ASN A 100 3.895 -12.187 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.364 -10.230 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.613 -10.142 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.844 -8.895 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.564 -9.785 5.424 1.00 0.00 H new ATOM 1564 N ARG A 101 1.648 -13.575 3.997 1.00 0.00 N ATOM 1565 CA ARG A 101 0.312 -14.115 4.126 1.00 0.00 C ATOM 1566 C ARG A 101 0.287 -15.141 5.253 1.00 0.00 C ATOM 1567 O ARG A 101 0.238 -16.353 4.961 1.00 0.00 O ATOM 1568 CB ARG A 101 -0.163 -14.749 2.813 1.00 0.00 C ATOM 1569 CG ARG A 101 -1.641 -15.118 2.830 1.00 0.00 C ATOM 1570 CD ARG A 101 -2.073 -15.838 1.563 1.00 0.00 C ATOM 1571 NE ARG A 101 -3.514 -16.071 1.555 1.00 0.00 N ATOM 1572 CZ ARG A 101 -4.138 -16.952 0.775 1.00 0.00 C ATOM 1573 NH1 ARG A 101 -3.451 -17.697 -0.087 1.00 0.00 N ATOM 1574 NH2 ARG A 101 -5.456 -17.070 0.853 1.00 0.00 N ATOM 1575 OXT ARG A 101 0.352 -14.729 6.428 1.00 0.00 O ATOM 0 H ARG A 101 2.313 -14.190 3.528 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.371 -13.299 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.023 -14.055 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.427 -15.644 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.844 -15.753 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.237 -14.214 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.793 -15.246 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.547 -16.790 1.485 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.085 -15.518 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.438 -17.596 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.937 -18.369 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.982 -16.489 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.944 -17.742 0.260 1.00 0.00 H new TER 1589 ARG A 101