USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 62 ASN : amide:sc= -4.79! C(o=-4.8!,f=-5.1!) USER MOD Set 1.2: A 88 TYR OH : rot -165:sc= 0.026 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.509 F(o=-1.2,f=-0.51) USER MOD Single : A 4 MET CE :methyl -131:sc=-0.00415 (180deg=-0.228) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 18 SER OG : rot 90:sc= -1.96 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 126:sc= -0.905! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -16.4! C(o=-21!,f=-16!) USER MOD Single : A 38 THR OG1 : rot -82:sc= -8.36! USER MOD Single : A 40 SER OG : rot 170:sc= -1.17 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0736 K(o=-0.074,f=-1.7!) USER MOD Single : A 68 SER OG : rot 168:sc= 0.44 USER MOD Single : A 69 TYR OH : rot 15:sc= -1.18! USER MOD Single : A 79 ASN : amide:sc= -8.48! C(o=-8.5!,f=-11!) USER MOD Single : A 86 THR OG1 : rot -137:sc= -2.23 USER MOD Single : A 90 SER OG : rot 68:sc= -2.72 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -144:sc= 0.211 USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 SER OG : rot 103:sc= -0.75! USER MOD Single : A 99 ASN :FLIP amide:sc= -2.02! C(o=-4.2!,f=-2!) USER MOD Single : A 104 THR OG1 : rot -42:sc= -0.328 USER MOD Single : A 105 LYS NZ :NH3+ -123:sc= -9.78! (180deg=-16.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 118 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.338 23.427 4.215 1.00 0.00 N ATOM 2 CA GLY A 1 9.484 23.951 5.317 1.00 0.00 C ATOM 3 C GLY A 1 8.471 22.884 5.733 1.00 0.00 C ATOM 4 O GLY A 1 7.280 23.043 5.556 1.00 0.00 O ATOM 0 H1 GLY A 1 11.026 24.154 3.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.844 22.579 4.541 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.741 23.182 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.104 24.230 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.965 24.852 4.991 1.00 0.00 H new ATOM 10 N SER A 2 8.934 21.796 6.288 1.00 0.00 N ATOM 11 CA SER A 2 7.994 20.722 6.717 1.00 0.00 C ATOM 12 C SER A 2 6.897 21.310 7.607 1.00 0.00 C ATOM 13 O SER A 2 7.168 21.901 8.633 1.00 0.00 O ATOM 14 CB SER A 2 8.850 19.738 7.512 1.00 0.00 C ATOM 15 OG SER A 2 9.218 18.650 6.674 1.00 0.00 O ATOM 0 H SER A 2 9.921 21.605 6.462 1.00 0.00 H new ATOM 0 HA SER A 2 7.501 20.243 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.742 20.238 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.297 19.374 8.378 1.00 0.00 H new ATOM 0 HG SER A 2 9.769 18.018 7.181 1.00 0.00 H new ATOM 21 N HIS A 3 5.660 21.151 7.224 1.00 0.00 N ATOM 22 CA HIS A 3 4.550 21.701 8.054 1.00 0.00 C ATOM 23 C HIS A 3 3.488 20.625 8.297 1.00 0.00 C ATOM 24 O HIS A 3 3.434 20.019 9.349 1.00 0.00 O ATOM 25 CB HIS A 3 3.969 22.855 7.234 1.00 0.00 C ATOM 26 CG HIS A 3 2.697 23.335 7.877 1.00 0.00 C ATOM 27 ND1 HIS A 3 2.213 23.213 9.156 1.00 0.00 N flip ATOM 28 CD2 HIS A 3 1.736 24.047 7.175 1.00 0.00 C flip ATOM 29 CE1 HIS A 3 0.974 23.837 9.251 1.00 0.00 C flip ATOM 30 NE2 HIS A 3 0.733 24.323 8.029 1.00 0.00 N flip ATOM 0 H HIS A 3 5.370 20.666 6.375 1.00 0.00 H new ATOM 0 HA HIS A 3 4.895 22.034 9.033 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.689 23.671 7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.772 22.527 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.784 24.329 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.342 23.913 10.124 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.109 24.840 7.775 1.00 0.00 H new ATOM 38 N MET A 4 2.641 20.387 7.334 1.00 0.00 N ATOM 39 CA MET A 4 1.580 19.354 7.511 1.00 0.00 C ATOM 40 C MET A 4 2.121 17.963 7.163 1.00 0.00 C ATOM 41 O MET A 4 1.408 16.981 7.218 1.00 0.00 O ATOM 42 CB MET A 4 0.467 19.762 6.543 1.00 0.00 C ATOM 43 CG MET A 4 0.868 19.402 5.111 1.00 0.00 C ATOM 44 SD MET A 4 -0.336 20.098 3.953 1.00 0.00 S ATOM 45 CE MET A 4 0.320 21.784 3.924 1.00 0.00 C ATOM 0 H MET A 4 2.637 20.863 6.432 1.00 0.00 H new ATOM 0 HA MET A 4 1.225 19.300 8.540 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.462 19.257 6.808 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.280 20.833 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.864 19.789 4.893 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.914 18.319 4.997 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.493 22.493 4.078 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.059 21.901 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.790 21.975 2.959 1.00 0.00 H new ATOM 55 N THR A 5 3.376 17.868 6.814 1.00 0.00 N ATOM 56 CA THR A 5 3.955 16.538 6.473 1.00 0.00 C ATOM 57 C THR A 5 5.226 16.301 7.288 1.00 0.00 C ATOM 58 O THR A 5 5.850 17.228 7.763 1.00 0.00 O ATOM 59 CB THR A 5 4.286 16.612 4.981 1.00 0.00 C ATOM 60 OG1 THR A 5 4.871 17.873 4.689 1.00 0.00 O ATOM 61 CG2 THR A 5 3.008 16.437 4.158 1.00 0.00 C ATOM 0 H THR A 5 4.024 18.653 6.751 1.00 0.00 H new ATOM 0 HA THR A 5 3.269 15.720 6.695 1.00 0.00 H new ATOM 0 HB THR A 5 4.987 15.817 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.085 17.921 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.249 16.490 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.562 15.468 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.302 17.228 4.410 1.00 0.00 H new ATOM 69 N GLU A 6 5.618 15.068 7.449 1.00 0.00 N ATOM 70 CA GLU A 6 6.853 14.782 8.230 1.00 0.00 C ATOM 71 C GLU A 6 7.286 13.326 8.028 1.00 0.00 C ATOM 72 O GLU A 6 7.204 12.515 8.930 1.00 0.00 O ATOM 73 CB GLU A 6 6.476 15.034 9.690 1.00 0.00 C ATOM 74 CG GLU A 6 5.406 14.033 10.128 1.00 0.00 C ATOM 75 CD GLU A 6 4.334 14.753 10.950 1.00 0.00 C ATOM 76 OE1 GLU A 6 4.693 15.393 11.927 1.00 0.00 O ATOM 77 OE2 GLU A 6 3.173 14.653 10.590 1.00 0.00 O ATOM 0 H GLU A 6 5.139 14.249 7.075 1.00 0.00 H new ATOM 0 HA GLU A 6 7.689 15.407 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.357 14.939 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.105 16.052 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.954 13.563 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.859 13.237 10.720 1.00 0.00 H new ATOM 84 N ARG A 7 7.754 12.992 6.853 1.00 0.00 N ATOM 85 CA ARG A 7 8.205 11.591 6.593 1.00 0.00 C ATOM 86 C ARG A 7 7.042 10.608 6.772 1.00 0.00 C ATOM 87 O ARG A 7 7.244 9.435 7.017 1.00 0.00 O ATOM 88 CB ARG A 7 9.289 11.325 7.644 1.00 0.00 C ATOM 89 CG ARG A 7 10.674 11.515 7.020 1.00 0.00 C ATOM 90 CD ARG A 7 11.719 11.670 8.131 1.00 0.00 C ATOM 91 NE ARG A 7 13.001 11.931 7.422 1.00 0.00 N ATOM 92 CZ ARG A 7 13.690 13.006 7.692 1.00 0.00 C ATOM 93 NH1 ARG A 7 13.175 14.184 7.469 1.00 0.00 N ATOM 94 NH2 ARG A 7 14.893 12.904 8.186 1.00 0.00 N ATOM 0 H ARG A 7 7.844 13.629 6.061 1.00 0.00 H new ATOM 0 HA ARG A 7 8.573 11.463 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.164 12.003 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.191 10.311 8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.921 10.660 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.677 12.396 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.464 12.492 8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.782 10.769 8.742 1.00 0.00 H new ATOM 0 HE ARG A 7 13.342 11.269 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.234 14.265 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.713 15.024 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.296 11.984 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.431 13.745 8.397 1.00 0.00 H new ATOM 108 N ARG A 8 5.827 11.075 6.675 1.00 0.00 N ATOM 109 CA ARG A 8 4.661 10.160 6.867 1.00 0.00 C ATOM 110 C ARG A 8 4.046 9.710 5.532 1.00 0.00 C ATOM 111 O ARG A 8 3.282 8.765 5.489 1.00 0.00 O ATOM 112 CB ARG A 8 3.650 10.988 7.657 1.00 0.00 C ATOM 113 CG ARG A 8 2.774 10.056 8.493 1.00 0.00 C ATOM 114 CD ARG A 8 2.308 10.789 9.752 1.00 0.00 C ATOM 115 NE ARG A 8 2.984 10.086 10.876 1.00 0.00 N ATOM 116 CZ ARG A 8 4.279 10.167 11.008 1.00 0.00 C ATOM 117 NH1 ARG A 8 4.852 11.333 11.120 1.00 0.00 N ATOM 118 NH2 ARG A 8 5.002 9.081 11.025 1.00 0.00 N ATOM 0 H ARG A 8 5.590 12.046 6.472 1.00 0.00 H new ATOM 0 HA ARG A 8 4.961 9.244 7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.169 11.695 8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.032 11.573 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.913 9.728 7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.333 9.161 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.585 11.843 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.224 10.747 9.855 1.00 0.00 H new ATOM 0 HE ARG A 8 2.436 9.542 11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.287 12.182 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.865 11.396 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.554 8.169 10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.015 9.144 11.128 1.00 0.00 H new ATOM 132 N LEU A 9 4.330 10.386 4.453 1.00 0.00 N ATOM 133 CA LEU A 9 3.714 9.994 3.155 1.00 0.00 C ATOM 134 C LEU A 9 4.662 9.135 2.305 1.00 0.00 C ATOM 135 O LEU A 9 5.265 9.601 1.353 1.00 0.00 O ATOM 136 CB LEU A 9 3.396 11.319 2.465 1.00 0.00 C ATOM 137 CG LEU A 9 2.053 11.839 2.985 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.280 12.679 4.244 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.386 12.702 1.913 1.00 0.00 C ATOM 0 H LEU A 9 4.958 11.188 4.414 1.00 0.00 H new ATOM 0 HA LEU A 9 2.827 9.378 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.184 12.046 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.354 11.181 1.385 1.00 0.00 H new ATOM 0 HG LEU A 9 1.408 10.993 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.323 13.048 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.752 12.065 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.927 13.523 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.430 13.071 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.032 13.546 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.220 12.105 1.016 1.00 0.00 H new ATOM 151 N ARG A 10 4.777 7.873 2.638 1.00 0.00 N ATOM 152 CA ARG A 10 5.659 6.952 1.860 1.00 0.00 C ATOM 153 C ARG A 10 4.828 5.776 1.329 1.00 0.00 C ATOM 154 O ARG A 10 3.906 5.314 1.977 1.00 0.00 O ATOM 155 CB ARG A 10 6.714 6.467 2.859 1.00 0.00 C ATOM 156 CG ARG A 10 7.946 7.376 2.781 1.00 0.00 C ATOM 157 CD ARG A 10 7.497 8.840 2.774 1.00 0.00 C ATOM 158 NE ARG A 10 8.666 9.616 3.270 1.00 0.00 N ATOM 159 CZ ARG A 10 8.583 10.916 3.370 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.415 11.485 3.490 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.665 11.645 3.354 1.00 0.00 N ATOM 0 H ARG A 10 4.292 7.439 3.423 1.00 0.00 H new ATOM 0 HA ARG A 10 6.120 7.437 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.305 6.476 3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.994 5.437 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.604 7.190 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.518 7.155 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.211 9.158 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.628 8.987 3.415 1.00 0.00 H new ATOM 0 HE ARG A 10 9.527 9.136 3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.569 10.915 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.348 12.500 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.578 11.200 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.597 12.660 3.432 1.00 0.00 H new ATOM 175 N VAL A 11 5.131 5.292 0.155 1.00 0.00 N ATOM 176 CA VAL A 11 4.333 4.156 -0.400 1.00 0.00 C ATOM 177 C VAL A 11 5.166 2.874 -0.494 1.00 0.00 C ATOM 178 O VAL A 11 5.912 2.672 -1.429 1.00 0.00 O ATOM 179 CB VAL A 11 3.882 4.600 -1.799 1.00 0.00 C ATOM 180 CG1 VAL A 11 3.025 5.859 -1.688 1.00 0.00 C ATOM 181 CG2 VAL A 11 5.099 4.893 -2.686 1.00 0.00 C ATOM 0 H VAL A 11 5.888 5.628 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 11 3.487 3.927 0.249 1.00 0.00 H new ATOM 0 HB VAL A 11 3.300 3.796 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.707 6.171 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.148 5.649 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.608 6.656 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.762 5.206 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.694 5.688 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.707 3.993 -2.779 1.00 0.00 H new ATOM 191 N LEU A 12 5.023 1.992 0.456 1.00 0.00 N ATOM 192 CA LEU A 12 5.776 0.715 0.405 1.00 0.00 C ATOM 193 C LEU A 12 4.851 -0.373 -0.150 1.00 0.00 C ATOM 194 O LEU A 12 4.252 -1.116 0.590 1.00 0.00 O ATOM 195 CB LEU A 12 6.113 0.430 1.867 1.00 0.00 C ATOM 196 CG LEU A 12 7.417 1.129 2.268 1.00 0.00 C ATOM 197 CD1 LEU A 12 8.609 0.307 1.777 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.466 2.532 1.653 1.00 0.00 C ATOM 0 H LEU A 12 4.414 2.104 1.267 1.00 0.00 H new ATOM 0 HA LEU A 12 6.666 0.751 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.299 0.772 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.208 -0.645 2.021 1.00 0.00 H new ATOM 0 HG LEU A 12 7.460 1.215 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.536 0.804 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.576 -0.685 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.565 0.215 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.395 3.024 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.419 2.455 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.619 3.117 2.013 1.00 0.00 H new ATOM 210 N VAL A 13 4.724 -0.477 -1.443 1.00 0.00 N ATOM 211 CA VAL A 13 3.816 -1.514 -2.012 1.00 0.00 C ATOM 212 C VAL A 13 4.624 -2.538 -2.778 1.00 0.00 C ATOM 213 O VAL A 13 5.618 -2.217 -3.399 1.00 0.00 O ATOM 214 CB VAL A 13 2.876 -0.760 -2.952 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.192 0.380 -2.193 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.678 -0.189 -4.125 1.00 0.00 C ATOM 0 H VAL A 13 5.205 0.106 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 13 3.264 -2.049 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 13 2.117 -1.445 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.523 0.915 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.619 -0.029 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.947 1.067 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.008 0.349 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.439 0.494 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.158 -1.003 -4.668 1.00 0.00 H new ATOM 226 N VAL A 14 4.228 -3.774 -2.732 1.00 0.00 N ATOM 227 CA VAL A 14 5.013 -4.796 -3.448 1.00 0.00 C ATOM 228 C VAL A 14 4.160 -6.012 -3.830 1.00 0.00 C ATOM 229 O VAL A 14 3.346 -6.506 -3.066 1.00 0.00 O ATOM 230 CB VAL A 14 6.100 -5.184 -2.450 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.007 -3.982 -2.174 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.452 -5.647 -1.146 1.00 0.00 C ATOM 0 H VAL A 14 3.405 -4.114 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 14 5.411 -4.421 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 14 6.698 -5.994 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.781 -4.266 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.473 -3.657 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.414 -3.166 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.228 -5.924 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.850 -4.838 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.815 -6.509 -1.342 1.00 0.00 H new ATOM 242 N GLU A 15 4.380 -6.497 -5.018 1.00 0.00 N ATOM 243 CA GLU A 15 3.663 -7.696 -5.527 1.00 0.00 C ATOM 244 C GLU A 15 4.557 -8.347 -6.584 1.00 0.00 C ATOM 245 O GLU A 15 5.274 -7.672 -7.279 1.00 0.00 O ATOM 246 CB GLU A 15 2.365 -7.184 -6.142 1.00 0.00 C ATOM 247 CG GLU A 15 2.685 -6.303 -7.347 1.00 0.00 C ATOM 248 CD GLU A 15 2.345 -7.055 -8.634 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.028 -8.230 -8.543 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.411 -6.446 -9.689 1.00 0.00 O ATOM 0 H GLU A 15 5.049 -6.099 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 15 3.442 -8.432 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.739 -8.023 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.799 -6.616 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.115 -5.375 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.740 -6.030 -7.341 1.00 0.00 H new ATOM 257 N ASP A 16 4.550 -9.643 -6.680 1.00 0.00 N ATOM 258 CA ASP A 16 5.439 -10.351 -7.661 1.00 0.00 C ATOM 259 C ASP A 16 5.836 -9.488 -8.872 1.00 0.00 C ATOM 260 O ASP A 16 6.846 -8.812 -8.860 1.00 0.00 O ATOM 261 CB ASP A 16 4.641 -11.570 -8.126 1.00 0.00 C ATOM 262 CG ASP A 16 3.150 -11.224 -8.225 1.00 0.00 C ATOM 263 OD1 ASP A 16 2.455 -11.393 -7.237 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.733 -10.794 -9.287 1.00 0.00 O ATOM 0 H ASP A 16 3.962 -10.257 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 16 6.382 -10.610 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.009 -11.905 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.784 -12.395 -7.428 1.00 0.00 H new ATOM 269 N GLU A 17 5.075 -9.544 -9.929 1.00 0.00 N ATOM 270 CA GLU A 17 5.427 -8.773 -11.162 1.00 0.00 C ATOM 271 C GLU A 17 5.669 -7.291 -10.868 1.00 0.00 C ATOM 272 O GLU A 17 5.590 -6.841 -9.742 1.00 0.00 O ATOM 273 CB GLU A 17 4.227 -8.944 -12.094 1.00 0.00 C ATOM 274 CG GLU A 17 2.983 -8.352 -11.434 1.00 0.00 C ATOM 275 CD GLU A 17 1.749 -9.143 -11.871 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.886 -10.331 -12.113 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.688 -8.547 -11.955 1.00 0.00 O ATOM 0 H GLU A 17 4.218 -10.093 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 17 6.355 -9.141 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.418 -8.448 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.069 -10.000 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.084 -8.384 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.874 -7.304 -11.713 1.00 0.00 H new ATOM 284 N SER A 18 5.976 -6.539 -11.894 1.00 0.00 N ATOM 285 CA SER A 18 6.245 -5.081 -11.727 1.00 0.00 C ATOM 286 C SER A 18 5.038 -4.254 -12.180 1.00 0.00 C ATOM 287 O SER A 18 5.079 -3.039 -12.187 1.00 0.00 O ATOM 288 CB SER A 18 7.451 -4.799 -12.622 1.00 0.00 C ATOM 289 OG SER A 18 7.842 -3.441 -12.469 1.00 0.00 O ATOM 0 H SER A 18 6.052 -6.879 -12.853 1.00 0.00 H new ATOM 0 HA SER A 18 6.433 -4.816 -10.686 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.277 -5.459 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.201 -5.002 -13.663 1.00 0.00 H new ATOM 0 HG SER A 18 8.498 -3.369 -11.744 1.00 0.00 H new ATOM 295 N MET A 19 3.960 -4.894 -12.552 1.00 0.00 N ATOM 296 CA MET A 19 2.760 -4.125 -12.990 1.00 0.00 C ATOM 297 C MET A 19 2.434 -3.079 -11.928 1.00 0.00 C ATOM 298 O MET A 19 1.797 -2.078 -12.188 1.00 0.00 O ATOM 299 CB MET A 19 1.636 -5.158 -13.101 1.00 0.00 C ATOM 300 CG MET A 19 0.573 -4.650 -14.077 1.00 0.00 C ATOM 301 SD MET A 19 -0.401 -6.046 -14.694 1.00 0.00 S ATOM 302 CE MET A 19 -1.189 -5.186 -16.079 1.00 0.00 C ATOM 0 H MET A 19 3.860 -5.909 -12.571 1.00 0.00 H new ATOM 0 HA MET A 19 2.908 -3.604 -13.936 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.036 -6.111 -13.446 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.191 -5.335 -12.122 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.078 -3.931 -13.580 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.047 -4.129 -14.908 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.847 -5.875 -16.608 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.772 -4.346 -15.701 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.423 -4.818 -16.762 1.00 0.00 H new ATOM 312 N ILE A 20 2.885 -3.315 -10.729 1.00 0.00 N ATOM 313 CA ILE A 20 2.635 -2.352 -9.624 1.00 0.00 C ATOM 314 C ILE A 20 3.693 -1.251 -9.649 1.00 0.00 C ATOM 315 O ILE A 20 3.489 -0.162 -9.151 1.00 0.00 O ATOM 316 CB ILE A 20 2.751 -3.186 -8.347 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.753 -2.259 -7.126 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.044 -4.004 -8.364 1.00 0.00 C ATOM 319 CD1 ILE A 20 1.886 -2.856 -6.016 1.00 0.00 C ATOM 0 H ILE A 20 3.421 -4.142 -10.466 1.00 0.00 H new ATOM 0 HA ILE A 20 1.664 -1.863 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 20 1.900 -3.865 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.773 -2.119 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.375 -1.275 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.114 -4.593 -7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.041 -4.671 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.899 -3.331 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.893 -2.191 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.864 -2.973 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.283 -3.829 -5.728 1.00 0.00 H new ATOM 331 N ALA A 21 4.821 -1.534 -10.233 1.00 0.00 N ATOM 332 CA ALA A 21 5.907 -0.522 -10.310 1.00 0.00 C ATOM 333 C ALA A 21 5.449 0.681 -11.137 1.00 0.00 C ATOM 334 O ALA A 21 5.272 1.772 -10.625 1.00 0.00 O ATOM 335 CB ALA A 21 7.044 -1.256 -11.012 1.00 0.00 C ATOM 0 H ALA A 21 5.039 -2.432 -10.664 1.00 0.00 H new ATOM 0 HA ALA A 21 6.199 -0.135 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.899 -0.588 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.334 -2.126 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.713 -1.580 -11.999 1.00 0.00 H new ATOM 341 N MET A 22 5.252 0.492 -12.413 1.00 0.00 N ATOM 342 CA MET A 22 4.801 1.628 -13.267 1.00 0.00 C ATOM 343 C MET A 22 3.543 2.253 -12.663 1.00 0.00 C ATOM 344 O MET A 22 3.267 3.422 -12.847 1.00 0.00 O ATOM 345 CB MET A 22 4.509 1.011 -14.639 1.00 0.00 C ATOM 346 CG MET A 22 3.854 2.055 -15.545 1.00 0.00 C ATOM 347 SD MET A 22 2.064 1.792 -15.580 1.00 0.00 S ATOM 348 CE MET A 22 1.689 2.948 -16.923 1.00 0.00 C ATOM 0 H MET A 22 5.383 -0.395 -12.900 1.00 0.00 H new ATOM 0 HA MET A 22 5.546 2.420 -13.343 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.433 0.652 -15.091 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.852 0.148 -14.528 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.077 3.058 -15.181 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.262 1.983 -16.553 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.616 2.946 -17.116 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.005 3.952 -16.638 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.220 2.643 -17.825 1.00 0.00 H new ATOM 358 N LEU A 23 2.795 1.485 -11.920 1.00 0.00 N ATOM 359 CA LEU A 23 1.569 2.033 -11.273 1.00 0.00 C ATOM 360 C LEU A 23 1.984 2.886 -10.069 1.00 0.00 C ATOM 361 O LEU A 23 1.165 3.452 -9.380 1.00 0.00 O ATOM 362 CB LEU A 23 0.778 0.786 -10.841 1.00 0.00 C ATOM 363 CG LEU A 23 -0.306 1.128 -9.804 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.333 1.279 -8.421 1.00 0.00 C ATOM 365 CD2 LEU A 23 -1.036 2.426 -10.184 1.00 0.00 C ATOM 0 H LEU A 23 2.980 0.500 -11.732 1.00 0.00 H new ATOM 0 HA LEU A 23 0.973 2.673 -11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.314 0.329 -11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.462 0.049 -10.422 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.034 0.317 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.437 1.521 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.819 0.344 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.073 2.079 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.798 2.647 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.320 3.247 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.509 2.306 -11.159 1.00 0.00 H new ATOM 377 N ILE A 24 3.262 2.980 -9.814 1.00 0.00 N ATOM 378 CA ILE A 24 3.739 3.786 -8.658 1.00 0.00 C ATOM 379 C ILE A 24 4.257 5.148 -9.130 1.00 0.00 C ATOM 380 O ILE A 24 3.915 6.177 -8.584 1.00 0.00 O ATOM 381 CB ILE A 24 4.861 2.934 -8.035 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.775 3.028 -6.512 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.248 3.414 -8.491 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.384 1.773 -5.887 1.00 0.00 C ATOM 0 H ILE A 24 3.997 2.531 -10.360 1.00 0.00 H new ATOM 0 HA ILE A 24 2.950 4.003 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 24 4.730 1.903 -8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.304 3.914 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.735 3.133 -6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.017 2.792 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.320 3.340 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.392 4.451 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.322 1.841 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.836 0.894 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.429 1.688 -6.186 1.00 0.00 H new ATOM 396 N GLU A 25 5.088 5.156 -10.134 1.00 0.00 N ATOM 397 CA GLU A 25 5.639 6.446 -10.631 1.00 0.00 C ATOM 398 C GLU A 25 4.509 7.359 -11.109 1.00 0.00 C ATOM 399 O GLU A 25 4.587 8.566 -10.999 1.00 0.00 O ATOM 400 CB GLU A 25 6.559 6.062 -11.790 1.00 0.00 C ATOM 401 CG GLU A 25 7.937 5.688 -11.240 1.00 0.00 C ATOM 402 CD GLU A 25 8.902 6.855 -11.455 1.00 0.00 C ATOM 403 OE1 GLU A 25 8.774 7.840 -10.748 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.752 6.744 -12.323 1.00 0.00 O ATOM 0 H GLU A 25 5.409 4.325 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 25 6.173 6.995 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.136 5.223 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.647 6.893 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.865 5.451 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.311 4.795 -11.741 1.00 0.00 H new ATOM 411 N ASP A 26 3.457 6.797 -11.635 1.00 0.00 N ATOM 412 CA ASP A 26 2.331 7.648 -12.112 1.00 0.00 C ATOM 413 C ASP A 26 1.544 8.197 -10.915 1.00 0.00 C ATOM 414 O ASP A 26 1.256 9.374 -10.844 1.00 0.00 O ATOM 415 CB ASP A 26 1.475 6.721 -12.987 1.00 0.00 C ATOM 416 CG ASP A 26 0.471 5.951 -12.124 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.865 4.958 -11.534 1.00 0.00 O ATOM 418 OD2 ASP A 26 -0.674 6.367 -12.069 1.00 0.00 O ATOM 0 H ASP A 26 3.328 5.792 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 26 2.666 8.518 -12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.945 7.306 -13.738 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.116 6.021 -13.522 1.00 0.00 H new ATOM 423 N THR A 27 1.210 7.369 -9.963 1.00 0.00 N ATOM 424 CA THR A 27 0.472 7.880 -8.778 1.00 0.00 C ATOM 425 C THR A 27 1.425 8.733 -7.944 1.00 0.00 C ATOM 426 O THR A 27 1.059 9.761 -7.410 1.00 0.00 O ATOM 427 CB THR A 27 0.026 6.649 -7.997 1.00 0.00 C ATOM 428 OG1 THR A 27 0.327 5.481 -8.741 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.480 6.718 -7.744 1.00 0.00 C ATOM 0 H THR A 27 1.415 6.370 -9.955 1.00 0.00 H new ATOM 0 HA THR A 27 -0.387 8.494 -9.049 1.00 0.00 H new ATOM 0 HB THR A 27 0.552 6.618 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.860 4.870 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.796 5.837 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.712 7.614 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.008 6.752 -8.697 1.00 0.00 H new ATOM 437 N LEU A 28 2.660 8.316 -7.854 1.00 0.00 N ATOM 438 CA LEU A 28 3.662 9.104 -7.087 1.00 0.00 C ATOM 439 C LEU A 28 3.822 10.466 -7.757 1.00 0.00 C ATOM 440 O LEU A 28 3.937 11.482 -7.102 1.00 0.00 O ATOM 441 CB LEU A 28 4.955 8.277 -7.169 1.00 0.00 C ATOM 442 CG LEU A 28 6.196 9.125 -6.835 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.743 9.769 -8.111 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.857 10.220 -5.814 1.00 0.00 C ATOM 0 H LEU A 28 3.017 7.461 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 28 3.381 9.285 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.893 7.435 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.058 7.861 -8.171 1.00 0.00 H new ATOM 0 HG LEU A 28 6.950 8.468 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.621 10.368 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.020 8.990 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.978 10.408 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.751 10.804 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.088 10.874 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.491 9.761 -4.896 1.00 0.00 H new ATOM 456 N CYS A 29 3.802 10.495 -9.066 1.00 0.00 N ATOM 457 CA CYS A 29 3.928 11.796 -9.780 1.00 0.00 C ATOM 458 C CYS A 29 3.051 12.838 -9.085 1.00 0.00 C ATOM 459 O CYS A 29 3.427 13.981 -8.921 1.00 0.00 O ATOM 460 CB CYS A 29 3.421 11.535 -11.197 1.00 0.00 C ATOM 461 SG CYS A 29 3.200 13.115 -12.054 1.00 0.00 S ATOM 0 H CYS A 29 3.704 9.676 -9.666 1.00 0.00 H new ATOM 0 HA CYS A 29 4.951 12.171 -9.786 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.130 10.910 -11.740 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.477 10.991 -11.163 1.00 0.00 H new ATOM 0 HG CYS A 29 2.770 12.897 -13.261 1.00 0.00 H new ATOM 467 N GLU A 30 1.880 12.432 -8.673 1.00 0.00 N ATOM 468 CA GLU A 30 0.952 13.364 -7.981 1.00 0.00 C ATOM 469 C GLU A 30 1.257 13.389 -6.482 1.00 0.00 C ATOM 470 O GLU A 30 1.372 14.437 -5.877 1.00 0.00 O ATOM 471 CB GLU A 30 -0.439 12.781 -8.230 1.00 0.00 C ATOM 472 CG GLU A 30 -1.447 13.429 -7.277 1.00 0.00 C ATOM 473 CD GLU A 30 -2.548 14.113 -8.088 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.249 15.098 -8.744 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.672 13.641 -8.040 1.00 0.00 O ATOM 0 H GLU A 30 1.526 11.483 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 30 1.041 14.388 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.737 12.955 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.424 11.701 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.880 12.674 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.945 14.157 -6.639 1.00 0.00 H new ATOM 482 N LEU A 31 1.389 12.238 -5.881 1.00 0.00 N ATOM 483 CA LEU A 31 1.687 12.187 -4.422 1.00 0.00 C ATOM 484 C LEU A 31 3.020 12.865 -4.132 1.00 0.00 C ATOM 485 O LEU A 31 3.192 13.515 -3.121 1.00 0.00 O ATOM 486 CB LEU A 31 1.811 10.702 -4.082 1.00 0.00 C ATOM 487 CG LEU A 31 0.451 10.132 -3.684 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.602 8.637 -3.393 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.049 10.848 -2.427 1.00 0.00 C ATOM 0 H LEU A 31 1.303 11.330 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 31 0.913 12.691 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.204 10.157 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.522 10.567 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.264 10.279 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.365 8.222 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.967 8.128 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.312 8.495 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.020 10.444 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.662 10.696 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.146 11.915 -2.630 1.00 0.00 H new ATOM 501 N GLY A 32 3.983 12.678 -4.989 1.00 0.00 N ATOM 502 CA GLY A 32 5.315 13.270 -4.725 1.00 0.00 C ATOM 503 C GLY A 32 5.896 12.558 -3.504 1.00 0.00 C ATOM 504 O GLY A 32 6.871 12.987 -2.920 1.00 0.00 O ATOM 0 H GLY A 32 3.903 12.144 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.968 13.146 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.230 14.341 -4.541 1.00 0.00 H new ATOM 508 N HIS A 33 5.285 11.465 -3.109 1.00 0.00 N ATOM 509 CA HIS A 33 5.773 10.714 -1.928 1.00 0.00 C ATOM 510 C HIS A 33 7.295 10.567 -1.981 1.00 0.00 C ATOM 511 O HIS A 33 7.919 10.853 -2.983 1.00 0.00 O ATOM 512 CB HIS A 33 5.107 9.348 -2.046 1.00 0.00 C ATOM 513 CG HIS A 33 3.867 9.303 -1.196 1.00 0.00 C ATOM 514 ND1 HIS A 33 3.371 8.331 -0.372 1.00 0.00 N flip ATOM 515 CD2 HIS A 33 2.936 10.331 -1.169 1.00 0.00 C flip ATOM 516 CE1 HIS A 33 2.146 8.733 0.153 1.00 0.00 C flip ATOM 517 NE2 HIS A 33 1.928 9.944 -0.362 1.00 0.00 N flip ATOM 0 H HIS A 33 4.464 11.065 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 33 5.537 11.215 -0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.852 9.148 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.801 8.568 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.006 11.270 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.510 8.183 0.831 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.100 10.508 -0.169 1.00 0.00 H new ATOM 525 N GLU A 34 7.897 10.108 -0.917 1.00 0.00 N ATOM 526 CA GLU A 34 9.381 9.928 -0.925 1.00 0.00 C ATOM 527 C GLU A 34 9.755 8.806 -1.906 1.00 0.00 C ATOM 528 O GLU A 34 9.322 8.805 -3.041 1.00 0.00 O ATOM 529 CB GLU A 34 9.735 9.548 0.513 1.00 0.00 C ATOM 530 CG GLU A 34 11.187 9.935 0.805 1.00 0.00 C ATOM 531 CD GLU A 34 11.954 8.710 1.311 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.322 7.694 1.547 1.00 0.00 O ATOM 533 OE2 GLU A 34 13.161 8.811 1.455 1.00 0.00 O ATOM 0 H GLU A 34 7.431 9.851 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 34 9.919 10.820 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.066 10.055 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.597 8.477 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.658 10.325 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.219 10.730 1.550 1.00 0.00 H new ATOM 540 N VAL A 35 10.539 7.843 -1.490 1.00 0.00 N ATOM 541 CA VAL A 35 10.899 6.735 -2.427 1.00 0.00 C ATOM 542 C VAL A 35 9.810 5.656 -2.388 1.00 0.00 C ATOM 543 O VAL A 35 9.426 5.187 -1.336 1.00 0.00 O ATOM 544 CB VAL A 35 12.245 6.194 -1.930 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.031 5.211 -0.773 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.952 5.481 -3.086 1.00 0.00 C ATOM 0 H VAL A 35 10.941 7.776 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 35 10.977 7.069 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 35 12.856 7.023 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.996 4.836 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.528 5.720 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.417 4.377 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.911 5.093 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.332 4.657 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.117 6.185 -3.901 1.00 0.00 H new ATOM 556 N ALA A 36 9.288 5.278 -3.526 1.00 0.00 N ATOM 557 CA ALA A 36 8.207 4.257 -3.547 1.00 0.00 C ATOM 558 C ALA A 36 8.774 2.840 -3.663 1.00 0.00 C ATOM 559 O ALA A 36 9.908 2.639 -4.053 1.00 0.00 O ATOM 560 CB ALA A 36 7.373 4.605 -4.780 1.00 0.00 C ATOM 0 H ALA A 36 9.566 5.634 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 36 7.622 4.269 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.549 3.898 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.975 5.615 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.000 4.551 -5.670 1.00 0.00 H new ATOM 566 N ALA A 37 7.979 1.855 -3.333 1.00 0.00 N ATOM 567 CA ALA A 37 8.443 0.441 -3.424 1.00 0.00 C ATOM 568 C ALA A 37 7.521 -0.345 -4.354 1.00 0.00 C ATOM 569 O ALA A 37 6.315 -0.195 -4.318 1.00 0.00 O ATOM 570 CB ALA A 37 8.347 -0.109 -2.002 1.00 0.00 C ATOM 0 H ALA A 37 7.021 1.972 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 37 9.455 0.365 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.673 -1.149 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.984 0.478 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.315 -0.049 -1.658 1.00 0.00 H new ATOM 576 N THR A 38 8.076 -1.176 -5.190 1.00 0.00 N ATOM 577 CA THR A 38 7.227 -1.962 -6.126 1.00 0.00 C ATOM 578 C THR A 38 7.652 -3.430 -6.186 1.00 0.00 C ATOM 579 O THR A 38 8.613 -3.844 -5.568 1.00 0.00 O ATOM 580 CB THR A 38 7.416 -1.312 -7.489 1.00 0.00 C ATOM 581 OG1 THR A 38 6.678 -2.051 -8.443 1.00 0.00 O ATOM 582 CG2 THR A 38 8.899 -1.322 -7.867 1.00 0.00 C ATOM 0 H THR A 38 9.079 -1.345 -5.266 1.00 0.00 H new ATOM 0 HA THR A 38 6.187 -1.957 -5.799 1.00 0.00 H new ATOM 0 HB THR A 38 7.067 -0.280 -7.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.198 -2.833 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.029 -0.856 -8.844 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.468 -0.767 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.258 -2.351 -7.906 1.00 0.00 H new ATOM 590 N ALA A 39 6.908 -4.215 -6.923 1.00 0.00 N ATOM 591 CA ALA A 39 7.195 -5.674 -7.038 1.00 0.00 C ATOM 592 C ALA A 39 7.245 -6.278 -5.642 1.00 0.00 C ATOM 593 O ALA A 39 7.437 -5.582 -4.675 1.00 0.00 O ATOM 594 CB ALA A 39 8.544 -5.820 -7.727 1.00 0.00 C ATOM 0 H ALA A 39 6.100 -3.899 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 39 6.425 -6.189 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.788 -6.877 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.500 -5.361 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.312 -5.326 -7.132 1.00 0.00 H new ATOM 600 N SER A 40 7.051 -7.555 -5.518 1.00 0.00 N ATOM 601 CA SER A 40 7.079 -8.161 -4.157 1.00 0.00 C ATOM 602 C SER A 40 8.520 -8.271 -3.662 1.00 0.00 C ATOM 603 O SER A 40 9.424 -8.583 -4.413 1.00 0.00 O ATOM 604 CB SER A 40 6.438 -9.535 -4.304 1.00 0.00 C ATOM 605 OG SER A 40 7.229 -10.343 -5.166 1.00 0.00 O ATOM 0 H SER A 40 6.876 -8.202 -6.287 1.00 0.00 H new ATOM 0 HA SER A 40 6.542 -7.556 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.346 -10.010 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.430 -9.436 -4.707 1.00 0.00 H new ATOM 0 HG SER A 40 6.908 -11.268 -5.133 1.00 0.00 H new ATOM 611 N ARG A 41 8.747 -8.000 -2.403 1.00 0.00 N ATOM 612 CA ARG A 41 10.130 -8.071 -1.867 1.00 0.00 C ATOM 613 C ARG A 41 10.104 -8.276 -0.349 1.00 0.00 C ATOM 614 O ARG A 41 9.614 -7.445 0.391 1.00 0.00 O ATOM 615 CB ARG A 41 10.745 -6.714 -2.208 1.00 0.00 C ATOM 616 CG ARG A 41 12.241 -6.876 -2.464 1.00 0.00 C ATOM 617 CD ARG A 41 12.519 -6.673 -3.954 1.00 0.00 C ATOM 618 NE ARG A 41 13.287 -7.881 -4.367 1.00 0.00 N ATOM 619 CZ ARG A 41 14.251 -7.782 -5.244 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.387 -6.693 -5.953 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.076 -8.779 -5.415 1.00 0.00 N ATOM 0 H ARG A 41 8.032 -7.733 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 41 10.696 -8.902 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.259 -6.295 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.580 -6.013 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.804 -6.152 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.571 -7.867 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.592 -6.581 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.091 -5.762 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 41 13.059 -8.790 -3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.739 -5.916 -5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.141 -6.620 -6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.967 -9.631 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.830 -8.706 -6.098 1.00 0.00 H new ATOM 635 N MET A 42 10.629 -9.374 0.119 1.00 0.00 N ATOM 636 CA MET A 42 10.638 -9.635 1.587 1.00 0.00 C ATOM 637 C MET A 42 11.390 -8.524 2.327 1.00 0.00 C ATOM 638 O MET A 42 11.030 -8.140 3.422 1.00 0.00 O ATOM 639 CB MET A 42 11.371 -10.966 1.743 1.00 0.00 C ATOM 640 CG MET A 42 10.454 -12.112 1.316 1.00 0.00 C ATOM 641 SD MET A 42 11.352 -13.678 1.454 1.00 0.00 S ATOM 642 CE MET A 42 9.919 -14.776 1.346 1.00 0.00 C ATOM 0 H MET A 42 11.054 -10.104 -0.453 1.00 0.00 H new ATOM 0 HA MET A 42 9.631 -9.665 2.004 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.277 -10.967 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.681 -11.102 2.779 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.563 -12.134 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.118 -11.961 0.290 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.249 -15.813 1.411 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.234 -14.561 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.409 -14.617 0.396 1.00 0.00 H new ATOM 652 N GLN A 43 12.434 -8.006 1.737 1.00 0.00 N ATOM 653 CA GLN A 43 13.212 -6.922 2.403 1.00 0.00 C ATOM 654 C GLN A 43 12.368 -5.649 2.477 1.00 0.00 C ATOM 655 O GLN A 43 12.123 -5.115 3.541 1.00 0.00 O ATOM 656 CB GLN A 43 14.435 -6.705 1.509 1.00 0.00 C ATOM 657 CG GLN A 43 15.686 -6.548 2.376 1.00 0.00 C ATOM 658 CD GLN A 43 16.811 -5.932 1.542 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.804 -6.577 1.268 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.698 -4.701 1.123 1.00 0.00 N ATOM 0 H GLN A 43 12.782 -8.288 0.821 1.00 0.00 H new ATOM 0 HA GLN A 43 13.497 -7.179 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.555 -7.549 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.294 -5.817 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.468 -5.915 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.996 -7.518 2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.865 -4.159 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.443 -4.281 0.566 1.00 0.00 H new ATOM 669 N GLU A 44 11.916 -5.165 1.353 1.00 0.00 N ATOM 670 CA GLU A 44 11.082 -3.934 1.357 1.00 0.00 C ATOM 671 C GLU A 44 9.786 -4.200 2.119 1.00 0.00 C ATOM 672 O GLU A 44 9.339 -3.390 2.904 1.00 0.00 O ATOM 673 CB GLU A 44 10.792 -3.637 -0.113 1.00 0.00 C ATOM 674 CG GLU A 44 12.112 -3.528 -0.878 1.00 0.00 C ATOM 675 CD GLU A 44 12.640 -2.095 -0.787 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.436 -1.474 0.243 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.238 -1.644 -1.749 1.00 0.00 O ATOM 0 H GLU A 44 12.089 -5.570 0.433 1.00 0.00 H new ATOM 0 HA GLU A 44 11.579 -3.094 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.175 -4.427 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.228 -2.708 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.843 -4.223 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.964 -3.806 -1.921 1.00 0.00 H new ATOM 684 N ALA A 45 9.188 -5.341 1.905 1.00 0.00 N ATOM 685 CA ALA A 45 7.931 -5.662 2.634 1.00 0.00 C ATOM 686 C ALA A 45 8.156 -5.444 4.130 1.00 0.00 C ATOM 687 O ALA A 45 7.304 -4.953 4.839 1.00 0.00 O ATOM 688 CB ALA A 45 7.665 -7.136 2.334 1.00 0.00 C ATOM 0 H ALA A 45 9.515 -6.060 1.260 1.00 0.00 H new ATOM 0 HA ALA A 45 7.090 -5.038 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.751 -7.451 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.552 -7.274 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.501 -7.737 2.691 1.00 0.00 H new ATOM 694 N LEU A 46 9.314 -5.790 4.609 1.00 0.00 N ATOM 695 CA LEU A 46 9.614 -5.589 6.045 1.00 0.00 C ATOM 696 C LEU A 46 9.734 -4.089 6.332 1.00 0.00 C ATOM 697 O LEU A 46 9.325 -3.607 7.370 1.00 0.00 O ATOM 698 CB LEU A 46 10.951 -6.293 6.262 1.00 0.00 C ATOM 699 CG LEU A 46 11.222 -6.428 7.758 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.868 -7.787 8.035 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.165 -5.309 8.203 1.00 0.00 C ATOM 0 H LEU A 46 10.068 -6.206 4.063 1.00 0.00 H new ATOM 0 HA LEU A 46 8.840 -5.983 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.935 -7.278 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.753 -5.728 5.787 1.00 0.00 H new ATOM 0 HG LEU A 46 10.285 -6.354 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.063 -7.886 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.195 -8.582 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.807 -7.862 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.361 -5.402 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.104 -5.384 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.703 -4.342 8.002 1.00 0.00 H new ATOM 713 N ASP A 47 10.291 -3.350 5.407 1.00 0.00 N ATOM 714 CA ASP A 47 10.439 -1.881 5.605 1.00 0.00 C ATOM 715 C ASP A 47 9.068 -1.201 5.576 1.00 0.00 C ATOM 716 O ASP A 47 8.943 -0.025 5.847 1.00 0.00 O ATOM 717 CB ASP A 47 11.296 -1.405 4.431 1.00 0.00 C ATOM 718 CG ASP A 47 11.926 -0.052 4.771 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.623 0.021 5.769 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.703 0.887 4.024 1.00 0.00 O ATOM 0 H ASP A 47 10.650 -3.704 4.521 1.00 0.00 H new ATOM 0 HA ASP A 47 10.893 -1.640 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.075 -2.137 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.684 -1.317 3.533 1.00 0.00 H new ATOM 725 N ILE A 48 8.038 -1.930 5.248 1.00 0.00 N ATOM 726 CA ILE A 48 6.683 -1.323 5.210 1.00 0.00 C ATOM 727 C ILE A 48 5.978 -1.580 6.545 1.00 0.00 C ATOM 728 O ILE A 48 5.193 -0.783 7.004 1.00 0.00 O ATOM 729 CB ILE A 48 5.940 -1.984 4.026 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.078 -3.162 4.494 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.946 -2.492 2.999 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.601 -3.956 3.270 1.00 0.00 C ATOM 0 H ILE A 48 8.078 -2.920 5.005 1.00 0.00 H new ATOM 0 HA ILE A 48 6.714 -0.243 5.068 1.00 0.00 H new ATOM 0 HB ILE A 48 5.292 -1.229 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.652 -3.807 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.222 -2.799 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.415 -2.956 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.541 -1.657 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.603 -3.226 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.987 -4.795 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.012 -3.307 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.464 -4.331 2.720 1.00 0.00 H new ATOM 744 N ALA A 49 6.256 -2.696 7.170 1.00 0.00 N ATOM 745 CA ALA A 49 5.599 -3.002 8.472 1.00 0.00 C ATOM 746 C ALA A 49 6.458 -2.520 9.650 1.00 0.00 C ATOM 747 O ALA A 49 6.054 -1.671 10.420 1.00 0.00 O ATOM 748 CB ALA A 49 5.461 -4.523 8.493 1.00 0.00 C ATOM 0 H ALA A 49 6.908 -3.405 6.834 1.00 0.00 H new ATOM 0 HA ALA A 49 4.637 -2.498 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.984 -4.832 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.852 -4.845 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.449 -4.979 8.423 1.00 0.00 H new ATOM 754 N ARG A 50 7.635 -3.067 9.803 1.00 0.00 N ATOM 755 CA ARG A 50 8.519 -2.657 10.937 1.00 0.00 C ATOM 756 C ARG A 50 8.801 -1.151 10.907 1.00 0.00 C ATOM 757 O ARG A 50 9.163 -0.561 11.906 1.00 0.00 O ATOM 758 CB ARG A 50 9.819 -3.431 10.718 1.00 0.00 C ATOM 759 CG ARG A 50 9.898 -4.597 11.703 1.00 0.00 C ATOM 760 CD ARG A 50 9.470 -5.886 10.999 1.00 0.00 C ATOM 761 NE ARG A 50 9.284 -6.876 12.095 1.00 0.00 N ATOM 762 CZ ARG A 50 8.134 -7.477 12.241 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.080 -6.794 12.599 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.041 -8.761 12.031 1.00 0.00 N ATOM 0 H ARG A 50 8.025 -3.783 9.190 1.00 0.00 H new ATOM 0 HA ARG A 50 8.055 -2.868 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.863 -3.804 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.674 -2.769 10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.914 -4.698 12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.253 -4.407 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.548 -5.742 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.228 -6.219 10.290 1.00 0.00 H new ATOM 0 HE ARG A 50 10.054 -7.085 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.155 -5.790 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.182 -7.264 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.866 -9.293 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.144 -9.233 12.144 1.00 0.00 H new ATOM 778 N LYS A 51 8.660 -0.529 9.771 1.00 0.00 N ATOM 779 CA LYS A 51 8.943 0.932 9.677 1.00 0.00 C ATOM 780 C LYS A 51 7.993 1.738 10.567 1.00 0.00 C ATOM 781 O LYS A 51 8.406 2.627 11.286 1.00 0.00 O ATOM 782 CB LYS A 51 8.722 1.276 8.205 1.00 0.00 C ATOM 783 CG LYS A 51 8.689 2.793 8.030 1.00 0.00 C ATOM 784 CD LYS A 51 10.013 3.389 8.513 1.00 0.00 C ATOM 785 CE LYS A 51 10.651 4.195 7.377 1.00 0.00 C ATOM 786 NZ LYS A 51 12.123 4.011 7.538 1.00 0.00 N ATOM 0 H LYS A 51 8.360 -0.969 8.901 1.00 0.00 H new ATOM 0 HA LYS A 51 9.951 1.173 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.519 0.848 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.786 0.840 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.524 3.046 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.859 3.217 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.842 4.030 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.687 2.595 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.314 3.837 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.377 5.248 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.622 4.537 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.418 4.368 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.357 3.000 7.465 1.00 0.00 H new ATOM 800 N GLY A 52 6.725 1.445 10.522 1.00 0.00 N ATOM 801 CA GLY A 52 5.761 2.209 11.361 1.00 0.00 C ATOM 802 C GLY A 52 5.364 3.487 10.619 1.00 0.00 C ATOM 803 O GLY A 52 4.210 3.697 10.300 1.00 0.00 O ATOM 0 H GLY A 52 6.315 0.712 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.879 1.603 11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.211 2.456 12.323 1.00 0.00 H new ATOM 807 N GLN A 53 6.310 4.343 10.337 1.00 0.00 N ATOM 808 CA GLN A 53 5.980 5.603 9.610 1.00 0.00 C ATOM 809 C GLN A 53 6.208 5.423 8.106 1.00 0.00 C ATOM 810 O GLN A 53 6.918 6.182 7.476 1.00 0.00 O ATOM 811 CB GLN A 53 6.926 6.659 10.178 1.00 0.00 C ATOM 812 CG GLN A 53 8.352 6.377 9.708 1.00 0.00 C ATOM 813 CD GLN A 53 9.341 6.999 10.696 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.959 7.780 11.544 1.00 0.00 O ATOM 815 NE2 GLN A 53 10.604 6.681 10.625 1.00 0.00 N ATOM 0 H GLN A 53 7.294 4.225 10.578 1.00 0.00 H new ATOM 0 HA GLN A 53 4.936 5.889 9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.615 7.652 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.883 6.652 11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.518 5.302 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.507 6.790 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.926 6.025 9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.270 7.088 11.281 1.00 0.00 H new ATOM 824 N PHE A 54 5.589 4.436 7.527 1.00 0.00 N ATOM 825 CA PHE A 54 5.742 4.215 6.063 1.00 0.00 C ATOM 826 C PHE A 54 4.431 4.579 5.364 1.00 0.00 C ATOM 827 O PHE A 54 4.374 4.699 4.159 1.00 0.00 O ATOM 828 CB PHE A 54 6.079 2.731 5.893 1.00 0.00 C ATOM 829 CG PHE A 54 4.889 1.879 6.251 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.577 1.639 7.593 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.107 1.315 5.243 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.483 0.841 7.925 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.013 0.516 5.577 1.00 0.00 C ATOM 834 CZ PHE A 54 2.698 0.277 6.917 1.00 0.00 C ATOM 0 H PHE A 54 4.982 3.770 8.005 1.00 0.00 H new ATOM 0 HA PHE A 54 6.525 4.832 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.378 2.535 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.926 2.469 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.185 2.073 8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.348 1.496 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.243 0.659 8.962 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.407 0.080 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.850 -0.342 7.172 1.00 0.00 H new ATOM 844 N ASP A 55 3.386 4.785 6.135 1.00 0.00 N ATOM 845 CA ASP A 55 2.061 5.188 5.570 1.00 0.00 C ATOM 846 C ASP A 55 1.273 3.998 5.027 1.00 0.00 C ATOM 847 O ASP A 55 0.270 3.617 5.590 1.00 0.00 O ATOM 848 CB ASP A 55 2.365 6.184 4.450 1.00 0.00 C ATOM 849 CG ASP A 55 1.170 7.114 4.245 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.757 7.740 5.208 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.688 7.188 3.126 1.00 0.00 O ATOM 0 H ASP A 55 3.399 4.688 7.150 1.00 0.00 H new ATOM 0 HA ASP A 55 1.437 5.624 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.252 6.766 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.584 5.650 3.526 1.00 0.00 H new ATOM 856 N ILE A 56 1.674 3.431 3.920 1.00 0.00 N ATOM 857 CA ILE A 56 0.868 2.299 3.355 1.00 0.00 C ATOM 858 C ILE A 56 1.732 1.099 2.941 1.00 0.00 C ATOM 859 O ILE A 56 2.917 1.224 2.706 1.00 0.00 O ATOM 860 CB ILE A 56 0.182 2.914 2.137 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.678 4.099 2.580 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.701 1.872 1.459 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.401 4.686 1.367 1.00 0.00 C ATOM 0 H ILE A 56 2.505 3.692 3.389 1.00 0.00 H new ATOM 0 HA ILE A 56 0.173 1.898 4.092 1.00 0.00 H new ATOM 0 HB ILE A 56 0.941 3.255 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.403 3.777 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.054 4.860 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.188 2.317 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.089 1.029 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.459 1.525 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.014 5.530 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.668 5.023 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.037 3.923 0.918 1.00 0.00 H new ATOM 875 N ALA A 57 1.135 -0.079 2.852 1.00 0.00 N ATOM 876 CA ALA A 57 1.923 -1.293 2.458 1.00 0.00 C ATOM 877 C ALA A 57 1.025 -2.300 1.747 1.00 0.00 C ATOM 878 O ALA A 57 -0.063 -2.587 2.197 1.00 0.00 O ATOM 879 CB ALA A 57 2.429 -1.896 3.763 1.00 0.00 C ATOM 0 H ALA A 57 0.145 -0.245 3.035 1.00 0.00 H new ATOM 0 HA ALA A 57 2.736 -1.037 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.015 -2.790 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.054 -1.169 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.581 -2.161 4.394 1.00 0.00 H new ATOM 885 N ILE A 58 1.449 -2.841 0.638 1.00 0.00 N ATOM 886 CA ILE A 58 0.562 -3.812 -0.058 1.00 0.00 C ATOM 887 C ILE A 58 1.328 -5.008 -0.628 1.00 0.00 C ATOM 888 O ILE A 58 1.796 -4.984 -1.749 1.00 0.00 O ATOM 889 CB ILE A 58 -0.076 -3.015 -1.196 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.888 -1.855 -0.619 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.999 -3.930 -2.002 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.048 -0.691 -0.301 1.00 0.00 C ATOM 0 H ILE A 58 2.349 -2.659 0.193 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.165 -4.232 0.637 1.00 0.00 H new ATOM 0 HB ILE A 58 0.706 -2.621 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.650 -1.539 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.409 -2.174 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.455 -3.363 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.421 -4.756 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.780 -4.324 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.528 0.137 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.793 -1.012 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.548 -0.367 -1.213 1.00 0.00 H new ATOM 904 N ILE A 59 1.391 -6.080 0.110 1.00 0.00 N ATOM 905 CA ILE A 59 2.044 -7.309 -0.415 1.00 0.00 C ATOM 906 C ILE A 59 0.946 -8.085 -1.145 1.00 0.00 C ATOM 907 O ILE A 59 0.527 -9.152 -0.739 1.00 0.00 O ATOM 908 CB ILE A 59 2.545 -8.060 0.823 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.900 -7.493 1.243 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.703 -9.549 0.507 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.705 -6.469 2.361 1.00 0.00 C ATOM 0 H ILE A 59 1.018 -6.158 1.056 1.00 0.00 H new ATOM 0 HA ILE A 59 2.875 -7.138 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 59 1.822 -7.938 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.552 -8.297 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.390 -7.025 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.060 -10.073 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.740 -9.961 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.422 -9.675 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.673 -6.066 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.069 -5.659 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.234 -6.951 3.218 1.00 0.00 H new ATOM 923 N ASP A 60 0.435 -7.502 -2.192 1.00 0.00 N ATOM 924 CA ASP A 60 -0.690 -8.127 -2.947 1.00 0.00 C ATOM 925 C ASP A 60 -0.376 -9.567 -3.340 1.00 0.00 C ATOM 926 O ASP A 60 0.712 -10.062 -3.139 1.00 0.00 O ATOM 927 CB ASP A 60 -0.867 -7.229 -4.186 1.00 0.00 C ATOM 928 CG ASP A 60 -1.140 -8.066 -5.448 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.189 -8.578 -6.012 1.00 0.00 O ATOM 930 OD2 ASP A 60 -2.296 -8.180 -5.824 1.00 0.00 O ATOM 0 H ASP A 60 0.752 -6.606 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.599 -8.189 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.692 -6.536 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.030 -6.627 -4.333 1.00 0.00 H new ATOM 935 N VAL A 61 -1.344 -10.225 -3.916 1.00 0.00 N ATOM 936 CA VAL A 61 -1.158 -11.630 -4.360 1.00 0.00 C ATOM 937 C VAL A 61 -1.093 -12.572 -3.144 1.00 0.00 C ATOM 938 O VAL A 61 -0.050 -12.990 -2.684 1.00 0.00 O ATOM 939 CB VAL A 61 0.118 -11.592 -5.228 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.298 -12.321 -4.576 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.184 -12.252 -6.575 1.00 0.00 C ATOM 0 H VAL A 61 -2.270 -9.839 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.986 -12.029 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 61 0.403 -10.547 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.168 -12.262 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.531 -11.853 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.035 -13.366 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.710 -12.232 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.490 -13.285 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.987 -11.709 -7.074 1.00 0.00 H new ATOM 951 N ASN A 62 -2.239 -12.910 -2.622 1.00 0.00 N ATOM 952 CA ASN A 62 -2.299 -13.826 -1.450 1.00 0.00 C ATOM 953 C ASN A 62 -2.951 -15.137 -1.889 1.00 0.00 C ATOM 954 O ASN A 62 -4.055 -15.459 -1.499 1.00 0.00 O ATOM 955 CB ASN A 62 -3.170 -13.102 -0.420 1.00 0.00 C ATOM 956 CG ASN A 62 -2.311 -12.147 0.414 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.733 -11.687 1.457 1.00 0.00 O ATOM 958 ND2 ASN A 62 -1.115 -11.825 0.001 1.00 0.00 N ATOM 0 H ASN A 62 -3.145 -12.587 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.318 -14.063 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.960 -12.546 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.658 -13.828 0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.539 -11.190 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.757 -12.209 -0.874 1.00 0.00 H new ATOM 965 N LEU A 63 -2.276 -15.886 -2.714 1.00 0.00 N ATOM 966 CA LEU A 63 -2.846 -17.167 -3.209 1.00 0.00 C ATOM 967 C LEU A 63 -1.731 -18.194 -3.355 1.00 0.00 C ATOM 968 O LEU A 63 -0.565 -17.877 -3.229 1.00 0.00 O ATOM 969 CB LEU A 63 -3.423 -16.825 -4.583 1.00 0.00 C ATOM 970 CG LEU A 63 -4.944 -16.946 -4.553 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.518 -15.941 -3.550 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.503 -16.645 -5.947 1.00 0.00 C ATOM 0 H LEU A 63 -1.346 -15.663 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.596 -17.584 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.136 -15.812 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.011 -17.496 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.223 -17.957 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.604 -16.028 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.118 -16.149 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.241 -14.930 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.590 -16.730 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.223 -15.633 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.095 -17.357 -6.664 1.00 0.00 H new ATOM 984 N ASP A 64 -2.069 -19.418 -3.636 1.00 0.00 N ATOM 985 CA ASP A 64 -1.008 -20.443 -3.802 1.00 0.00 C ATOM 986 C ASP A 64 -0.188 -20.538 -2.509 1.00 0.00 C ATOM 987 O ASP A 64 0.907 -21.065 -2.484 1.00 0.00 O ATOM 988 CB ASP A 64 -0.179 -19.912 -4.989 1.00 0.00 C ATOM 989 CG ASP A 64 1.301 -19.744 -4.620 1.00 0.00 C ATOM 990 OD1 ASP A 64 1.608 -18.806 -3.903 1.00 0.00 O ATOM 991 OD2 ASP A 64 2.097 -20.556 -5.060 1.00 0.00 O ATOM 0 H ASP A 64 -3.026 -19.751 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.378 -21.450 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.268 -20.599 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.583 -18.954 -5.315 1.00 0.00 H new ATOM 996 N GLY A 65 -0.717 -20.025 -1.439 1.00 0.00 N ATOM 997 CA GLY A 65 0.021 -20.067 -0.149 1.00 0.00 C ATOM 998 C GLY A 65 0.053 -18.671 0.470 1.00 0.00 C ATOM 999 O GLY A 65 0.769 -18.433 1.421 1.00 0.00 O ATOM 0 H GLY A 65 -1.632 -19.576 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.460 -20.767 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.037 -20.427 -0.311 1.00 0.00 H new ATOM 1003 N GLU A 66 -0.708 -17.752 -0.075 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.737 -16.354 0.456 1.00 0.00 C ATOM 1005 C GLU A 66 0.632 -15.959 1.025 1.00 0.00 C ATOM 1006 O GLU A 66 0.798 -15.767 2.211 1.00 0.00 O ATOM 1007 CB GLU A 66 -1.846 -16.337 1.524 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.346 -16.903 2.857 1.00 0.00 C ATOM 1009 CD GLU A 66 -1.170 -15.759 3.861 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -1.979 -14.846 3.836 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -0.229 -15.816 4.635 1.00 0.00 O ATOM 0 H GLU A 66 -1.318 -17.915 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.947 -15.622 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.198 -15.316 1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.698 -16.921 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.056 -17.635 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.399 -17.423 2.712 1.00 0.00 H new ATOM 1018 N PRO A 67 1.578 -15.854 0.134 1.00 0.00 N ATOM 1019 CA PRO A 67 2.960 -15.486 0.526 1.00 0.00 C ATOM 1020 C PRO A 67 3.028 -14.038 1.013 1.00 0.00 C ATOM 1021 O PRO A 67 3.629 -13.188 0.387 1.00 0.00 O ATOM 1022 CB PRO A 67 3.759 -15.675 -0.760 1.00 0.00 C ATOM 1023 CG PRO A 67 2.756 -15.546 -1.861 1.00 0.00 C ATOM 1024 CD PRO A 67 1.449 -16.055 -1.313 1.00 0.00 C ATOM 0 HA PRO A 67 3.341 -16.088 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.544 -14.924 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.246 -16.650 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.664 -14.508 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.062 -16.123 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.602 -15.503 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.293 -17.105 -1.559 1.00 0.00 H new ATOM 1032 N SER A 68 2.428 -13.755 2.135 1.00 0.00 N ATOM 1033 CA SER A 68 2.469 -12.367 2.674 1.00 0.00 C ATOM 1034 C SER A 68 3.308 -12.336 3.955 1.00 0.00 C ATOM 1035 O SER A 68 3.405 -11.326 4.624 1.00 0.00 O ATOM 1036 CB SER A 68 1.011 -12.022 2.973 1.00 0.00 C ATOM 1037 OG SER A 68 0.620 -12.646 4.189 1.00 0.00 O ATOM 0 H SER A 68 1.910 -14.426 2.703 1.00 0.00 H new ATOM 0 HA SER A 68 2.918 -11.657 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.889 -10.942 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.371 -12.357 2.157 1.00 0.00 H new ATOM 0 HG SER A 68 -0.239 -12.278 4.484 1.00 0.00 H new ATOM 1043 N TYR A 69 3.920 -13.446 4.293 1.00 0.00 N ATOM 1044 CA TYR A 69 4.757 -13.528 5.529 1.00 0.00 C ATOM 1045 C TYR A 69 3.997 -12.924 6.713 1.00 0.00 C ATOM 1046 O TYR A 69 2.915 -12.389 6.558 1.00 0.00 O ATOM 1047 CB TYR A 69 6.078 -12.770 5.258 1.00 0.00 C ATOM 1048 CG TYR A 69 6.012 -11.960 3.981 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.086 -12.588 2.733 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.869 -10.577 4.056 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.019 -11.821 1.562 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.802 -9.809 2.893 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.876 -10.430 1.642 1.00 0.00 C ATOM 1054 OH TYR A 69 5.811 -9.674 0.490 1.00 0.00 O ATOM 0 H TYR A 69 3.873 -14.311 3.755 1.00 0.00 H new ATOM 0 HA TYR A 69 4.980 -14.565 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.296 -12.109 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.899 -13.484 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.194 -13.661 2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.810 -10.095 5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.078 -12.303 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.693 -8.737 2.959 1.00 0.00 H new ATOM 0 HH TYR A 69 5.640 -10.260 -0.277 1.00 0.00 H new ATOM 1064 N PRO A 70 4.578 -13.050 7.869 1.00 0.00 N ATOM 1065 CA PRO A 70 3.934 -12.529 9.095 1.00 0.00 C ATOM 1066 C PRO A 70 3.951 -11.002 9.111 1.00 0.00 C ATOM 1067 O PRO A 70 3.369 -10.384 9.972 1.00 0.00 O ATOM 1068 CB PRO A 70 4.793 -13.093 10.219 1.00 0.00 C ATOM 1069 CG PRO A 70 6.128 -13.344 9.594 1.00 0.00 C ATOM 1070 CD PRO A 70 5.872 -13.681 8.148 1.00 0.00 C ATOM 0 HA PRO A 70 2.886 -12.817 9.178 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.871 -12.389 11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.365 -14.012 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.767 -12.465 9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.643 -14.162 10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.657 -13.289 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.835 -14.759 7.988 1.00 0.00 H new ATOM 1078 N VAL A 71 4.600 -10.380 8.168 1.00 0.00 N ATOM 1079 CA VAL A 71 4.619 -8.891 8.164 1.00 0.00 C ATOM 1080 C VAL A 71 3.282 -8.372 7.649 1.00 0.00 C ATOM 1081 O VAL A 71 2.513 -7.763 8.366 1.00 0.00 O ATOM 1082 CB VAL A 71 5.731 -8.495 7.203 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.631 -7.005 6.898 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.091 -8.793 7.827 1.00 0.00 C ATOM 0 H VAL A 71 5.112 -10.830 7.409 1.00 0.00 H new ATOM 0 HA VAL A 71 4.783 -8.480 9.160 1.00 0.00 H new ATOM 0 HB VAL A 71 5.627 -9.068 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.427 -6.720 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.664 -6.791 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.731 -6.437 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.881 -8.507 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.199 -8.227 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.167 -9.859 8.043 1.00 0.00 H new ATOM 1094 N ALA A 72 3.003 -8.625 6.405 1.00 0.00 N ATOM 1095 CA ALA A 72 1.720 -8.169 5.815 1.00 0.00 C ATOM 1096 C ALA A 72 0.557 -8.636 6.677 1.00 0.00 C ATOM 1097 O ALA A 72 -0.270 -7.853 7.101 1.00 0.00 O ATOM 1098 CB ALA A 72 1.655 -8.853 4.460 1.00 0.00 C ATOM 0 H ALA A 72 3.615 -9.133 5.766 1.00 0.00 H new ATOM 0 HA ALA A 72 1.662 -7.083 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.733 -8.569 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.510 -8.547 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.676 -9.934 4.597 1.00 0.00 H new ATOM 1104 N ASP A 73 0.483 -9.910 6.941 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.633 -10.411 7.774 1.00 0.00 C ATOM 1106 C ASP A 73 -0.697 -9.610 9.070 1.00 0.00 C ATOM 1107 O ASP A 73 -1.709 -9.029 9.407 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.297 -11.866 8.055 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.924 -12.755 6.980 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.518 -12.212 6.062 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.800 -13.963 7.092 1.00 0.00 O ATOM 0 H ASP A 73 1.143 -10.617 6.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.602 -10.314 7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.784 -12.004 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.668 -12.152 9.039 1.00 0.00 H new ATOM 1116 N ILE A 74 0.390 -9.558 9.787 1.00 0.00 N ATOM 1117 CA ILE A 74 0.401 -8.769 11.051 1.00 0.00 C ATOM 1118 C ILE A 74 -0.063 -7.353 10.733 1.00 0.00 C ATOM 1119 O ILE A 74 -0.896 -6.781 11.410 1.00 0.00 O ATOM 1120 CB ILE A 74 1.858 -8.762 11.518 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.182 -10.089 12.210 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.076 -7.613 12.505 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.685 -10.163 12.494 1.00 0.00 C ATOM 0 H ILE A 74 1.267 -10.024 9.555 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.253 -9.182 11.819 1.00 0.00 H new ATOM 0 HB ILE A 74 2.510 -8.631 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.621 -10.173 13.141 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.879 -10.924 11.579 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.114 -7.610 12.836 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.848 -6.666 12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.421 -7.744 13.366 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.916 -11.107 12.987 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.236 -10.099 11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.974 -9.336 13.142 1.00 0.00 H new ATOM 1135 N LEU A 75 0.467 -6.796 9.683 1.00 0.00 N ATOM 1136 CA LEU A 75 0.064 -5.431 9.279 1.00 0.00 C ATOM 1137 C LEU A 75 -1.440 -5.414 9.016 1.00 0.00 C ATOM 1138 O LEU A 75 -2.097 -4.399 9.139 1.00 0.00 O ATOM 1139 CB LEU A 75 0.851 -5.173 7.998 1.00 0.00 C ATOM 1140 CG LEU A 75 1.082 -3.673 7.833 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.371 -3.279 8.554 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.213 -3.347 6.345 1.00 0.00 C ATOM 0 H LEU A 75 1.167 -7.234 9.085 1.00 0.00 H new ATOM 0 HA LEU A 75 0.265 -4.672 10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.806 -5.697 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.306 -5.564 7.139 1.00 0.00 H new ATOM 0 HG LEU A 75 0.243 -3.121 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.540 -2.208 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.284 -3.521 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.210 -3.827 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.378 -2.277 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.056 -3.896 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.298 -3.636 5.827 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.990 -6.543 8.664 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.445 -6.616 8.404 1.00 0.00 C ATOM 1156 C ALA A 76 -4.189 -6.954 9.700 1.00 0.00 C ATOM 1157 O ALA A 76 -5.401 -6.911 9.760 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.612 -7.736 7.378 1.00 0.00 C ATOM 0 H ALA A 76 -1.486 -7.422 8.546 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.850 -5.672 8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.668 -7.851 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.055 -7.488 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.232 -8.669 7.793 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.470 -7.289 10.741 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.134 -7.622 12.032 1.00 0.00 C ATOM 1166 C GLU A 77 -4.572 -6.334 12.735 1.00 0.00 C ATOM 1167 O GLU A 77 -5.732 -6.142 13.037 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.071 -8.352 12.857 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.000 -9.819 12.423 1.00 0.00 C ATOM 1170 CD GLU A 77 -3.119 -10.723 13.652 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.643 -10.262 14.653 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.684 -11.860 13.572 1.00 0.00 O ATOM 0 H GLU A 77 -2.452 -7.346 10.750 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.025 -8.235 11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.100 -7.875 12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.312 -8.288 13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.801 -10.039 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.059 -10.011 11.907 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.648 -5.444 12.982 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.002 -4.162 13.649 1.00 0.00 C ATOM 1181 C ARG A 78 -4.339 -3.112 12.592 1.00 0.00 C ATOM 1182 O ARG A 78 -5.013 -2.136 12.856 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.755 -3.751 14.432 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.532 -3.795 13.512 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.629 -4.960 13.923 1.00 0.00 C ATOM 1186 NE ARG A 78 0.504 -4.328 14.653 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.490 -4.270 15.958 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.011 -5.267 16.651 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.957 -3.217 16.571 1.00 0.00 N ATOM 0 H ARG A 78 -2.661 -5.552 12.749 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.869 -4.260 14.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.882 -2.747 14.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.609 -4.420 15.280 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.847 -3.913 12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.983 -2.855 13.573 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.162 -5.668 14.558 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.278 -5.514 13.052 1.00 0.00 H new ATOM 0 HE ARG A 78 1.292 -3.940 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.353 -6.092 16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.000 -5.221 17.670 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.334 -2.438 16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.945 -3.173 17.590 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.875 -3.318 11.393 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.156 -2.357 10.293 1.00 0.00 C ATOM 1205 C ASN A 79 -4.078 -0.908 10.784 1.00 0.00 C ATOM 1206 O ASN A 79 -5.081 -0.240 10.937 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.581 -2.679 9.840 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.763 -4.194 9.733 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.516 -4.773 8.696 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.198 -4.862 10.766 1.00 0.00 N ATOM 0 H ASN A 79 -3.306 -4.121 11.125 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.427 -2.451 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.299 -2.267 10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.780 -2.211 8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.330 -5.871 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.406 -4.375 11.638 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.894 -0.407 10.994 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.751 1.011 11.429 1.00 0.00 C ATOM 1219 C VAL A 80 -3.021 1.887 10.191 1.00 0.00 C ATOM 1220 O VAL A 80 -3.729 1.441 9.310 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.303 1.091 11.924 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.034 -0.075 12.878 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.336 0.999 10.736 1.00 0.00 C ATOM 0 H VAL A 80 -2.018 -0.918 10.883 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.433 1.346 12.211 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.152 2.040 12.438 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.005 -0.024 13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.715 -0.015 13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.190 -1.018 12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.691 1.057 11.097 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.486 0.052 10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.525 1.823 10.048 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.475 3.082 10.101 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.746 3.878 8.887 1.00 0.00 C ATOM 1235 C PRO A 81 -2.038 3.205 7.720 1.00 0.00 C ATOM 1236 O PRO A 81 -0.832 3.060 7.706 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.189 5.256 9.205 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.165 5.027 10.268 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.589 3.796 11.037 1.00 0.00 C ATOM 0 HA PRO A 81 -3.798 3.955 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.744 5.715 8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.974 5.928 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.178 4.885 9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.097 5.890 10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.731 3.186 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.109 4.060 11.958 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.790 2.740 6.766 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.172 2.010 5.626 1.00 0.00 C ATOM 1249 C PHE A 82 -3.227 1.574 4.614 1.00 0.00 C ATOM 1250 O PHE A 82 -4.278 2.164 4.486 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.549 0.767 6.275 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.617 -0.296 6.485 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.890 0.065 6.956 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.334 -1.638 6.207 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.873 -0.913 7.150 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.319 -2.616 6.403 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.586 -2.254 6.874 1.00 0.00 C ATOM 0 H PHE A 82 -3.805 2.833 6.725 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.455 2.630 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.753 0.375 5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.095 1.033 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.111 1.100 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.358 -1.920 5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.851 -0.633 7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.099 -3.652 6.190 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.342 -3.010 7.024 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.935 0.512 3.922 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.873 -0.043 2.915 1.00 0.00 C ATOM 1269 C ILE A 83 -3.289 -1.365 2.413 1.00 0.00 C ATOM 1270 O ILE A 83 -2.095 -1.603 2.537 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.916 1.002 1.797 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.066 2.011 1.996 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.090 0.322 0.437 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.291 1.328 2.612 1.00 0.00 C ATOM 0 H ILE A 83 -2.062 -0.007 4.016 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.874 -0.238 3.300 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.969 1.541 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.734 2.824 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.336 2.455 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.119 1.079 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.254 -0.354 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.022 -0.244 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.088 2.060 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.634 0.532 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.024 0.906 3.581 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.113 -2.218 1.857 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.614 -3.534 1.357 1.00 0.00 C ATOM 1288 C PHE A 84 -4.524 -4.076 0.242 1.00 0.00 C ATOM 1289 O PHE A 84 -5.632 -3.608 0.028 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.684 -4.436 2.586 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.608 -5.496 2.527 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.850 -6.710 1.870 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.372 -5.269 3.143 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.852 -7.693 1.828 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.377 -6.254 3.100 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.620 -7.464 2.441 1.00 0.00 C ATOM 0 H PHE A 84 -5.112 -2.058 1.728 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.613 -3.470 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.565 -3.839 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.665 -4.908 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.804 -6.888 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.185 -4.335 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.037 -8.628 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.577 -6.080 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.148 -8.223 2.407 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.074 -5.070 -0.471 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.925 -5.633 -1.554 1.00 0.00 C ATOM 1308 C ALA A 85 -4.397 -6.991 -2.009 1.00 0.00 C ATOM 1309 O ALA A 85 -3.312 -7.095 -2.531 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.848 -4.620 -2.695 1.00 0.00 C ATOM 0 H ALA A 85 -3.163 -5.513 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.950 -5.794 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.453 -4.968 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.224 -3.656 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.812 -4.512 -3.016 1.00 0.00 H new ATOM 1316 N THR A 86 -5.166 -8.031 -1.822 1.00 0.00 N ATOM 1317 CA THR A 86 -4.706 -9.389 -2.247 1.00 0.00 C ATOM 1318 C THR A 86 -5.848 -10.134 -2.940 1.00 0.00 C ATOM 1319 O THR A 86 -6.777 -9.538 -3.443 1.00 0.00 O ATOM 1320 CB THR A 86 -4.314 -10.133 -0.961 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.405 -10.939 -0.538 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.955 -9.146 0.151 1.00 0.00 C ATOM 0 H THR A 86 -6.091 -8.001 -1.394 1.00 0.00 H new ATOM 0 HA THR A 86 -3.871 -9.323 -2.945 1.00 0.00 H new ATOM 0 HB THR A 86 -3.443 -10.754 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.513 -10.860 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.681 -9.696 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.115 -8.529 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.813 -8.508 0.363 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.787 -11.437 -2.963 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.867 -12.227 -3.621 1.00 0.00 C ATOM 1332 C GLY A 87 -8.214 -11.939 -2.952 1.00 0.00 C ATOM 1333 O GLY A 87 -9.184 -11.620 -3.609 1.00 0.00 O ATOM 0 H GLY A 87 -5.034 -11.990 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.918 -11.976 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.640 -13.291 -3.556 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.292 -12.059 -1.653 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.593 -11.801 -0.967 1.00 0.00 C ATOM 1339 C TYR A 88 -9.888 -10.296 -0.897 1.00 0.00 C ATOM 1340 O TYR A 88 -11.024 -9.889 -0.755 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.460 -12.415 0.432 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.277 -11.828 1.169 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.430 -10.657 1.920 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.033 -12.469 1.118 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.337 -10.125 2.615 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.943 -11.937 1.815 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.095 -10.766 2.563 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.020 -10.245 3.252 1.00 0.00 O ATOM 0 H TYR A 88 -7.519 -12.322 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.427 -12.245 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.373 -12.236 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.342 -13.496 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.390 -10.164 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.915 -13.374 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.453 -9.219 3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.984 -12.431 1.775 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.193 -10.659 2.929 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.886 -9.464 -1.014 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.132 -7.990 -0.974 1.00 0.00 C ATOM 1360 C GLY A 89 -9.294 -7.523 0.472 1.00 0.00 C ATOM 1361 O GLY A 89 -10.358 -7.105 0.883 1.00 0.00 O ATOM 0 H GLY A 89 -7.911 -9.739 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.302 -7.462 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.028 -7.748 -1.545 1.00 0.00 H new ATOM 1365 N SER A 90 -8.242 -7.583 1.241 1.00 0.00 N ATOM 1366 CA SER A 90 -8.317 -7.141 2.663 1.00 0.00 C ATOM 1367 C SER A 90 -9.409 -7.908 3.411 1.00 0.00 C ATOM 1368 O SER A 90 -10.403 -8.315 2.844 1.00 0.00 O ATOM 1369 CB SER A 90 -8.660 -5.654 2.613 1.00 0.00 C ATOM 1370 OG SER A 90 -8.473 -5.088 3.902 1.00 0.00 O ATOM 0 H SER A 90 -7.327 -7.922 0.943 1.00 0.00 H new ATOM 0 HA SER A 90 -7.380 -7.327 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.027 -5.147 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.692 -5.517 2.289 1.00 0.00 H new ATOM 0 HG SER A 90 -7.518 -5.087 4.123 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.234 -8.097 4.687 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.258 -8.821 5.478 1.00 0.00 C ATOM 1378 C LYS A 91 -11.083 -7.815 6.282 1.00 0.00 C ATOM 1379 O LYS A 91 -11.285 -7.969 7.470 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.466 -9.737 6.410 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.437 -8.909 7.182 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.586 -9.177 8.680 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.878 -8.073 9.470 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.977 -7.293 10.103 1.00 0.00 N ATOM 0 H LYS A 91 -8.422 -7.779 5.216 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.951 -9.387 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.140 -10.239 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.965 -10.515 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.429 -9.165 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.580 -7.848 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.641 -9.213 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.160 -10.148 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.207 -8.492 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.273 -7.445 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.573 -6.516 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.595 -6.902 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.532 -7.916 10.724 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.547 -6.775 5.644 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.341 -5.750 6.376 1.00 0.00 C ATOM 1400 C GLY A 92 -11.395 -4.939 7.264 1.00 0.00 C ATOM 1401 O GLY A 92 -11.786 -4.395 8.278 1.00 0.00 O ATOM 0 H GLY A 92 -11.411 -6.592 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.853 -5.094 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.110 -6.229 6.982 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.146 -4.862 6.884 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.154 -4.098 7.694 1.00 0.00 C ATOM 1407 C LEU A 93 -9.772 -2.803 8.232 1.00 0.00 C ATOM 1408 O LEU A 93 -10.646 -2.216 7.625 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.987 -3.813 6.732 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.150 -2.441 6.063 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.943 -2.169 5.164 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.428 -2.423 5.220 1.00 0.00 C ATOM 0 H LEU A 93 -9.770 -5.298 6.042 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.821 -4.654 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.044 -3.846 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.941 -4.591 5.969 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.216 -1.671 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.056 -1.195 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.033 -2.176 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.878 -2.942 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.539 -1.447 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.368 -3.193 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.289 -2.616 5.860 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.315 -2.358 9.368 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.861 -1.099 9.955 1.00 0.00 C ATOM 1426 C ASP A 94 -8.804 0.001 9.892 1.00 0.00 C ATOM 1427 O ASP A 94 -7.623 -0.264 9.990 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.194 -1.444 11.407 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.910 -1.819 12.147 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.249 -2.747 11.710 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.608 -1.171 13.136 1.00 0.00 O ATOM 0 H ASP A 94 -8.585 -2.811 9.918 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.737 -0.735 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.672 -0.594 11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.902 -2.272 11.442 1.00 0.00 H new ATOM 1436 N THR A 95 -9.211 1.231 9.736 1.00 0.00 N ATOM 1437 CA THR A 95 -8.213 2.337 9.670 1.00 0.00 C ATOM 1438 C THR A 95 -8.905 3.672 9.400 1.00 0.00 C ATOM 1439 O THR A 95 -10.109 3.747 9.254 1.00 0.00 O ATOM 1440 CB THR A 95 -7.304 1.977 8.495 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.403 3.043 8.248 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.156 1.721 7.251 1.00 0.00 C ATOM 0 H THR A 95 -10.186 1.518 9.652 1.00 0.00 H new ATOM 0 HA THR A 95 -7.665 2.444 10.606 1.00 0.00 H new ATOM 0 HB THR A 95 -6.738 1.077 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.242 3.119 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.508 1.464 6.413 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.843 0.897 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.725 2.619 7.008 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.141 4.727 9.310 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.735 6.062 9.025 1.00 0.00 C ATOM 1452 C ARG A 96 -9.021 6.184 7.527 1.00 0.00 C ATOM 1453 O ARG A 96 -9.394 7.232 7.038 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.659 7.066 9.444 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.537 7.077 10.971 1.00 0.00 C ATOM 1456 CD ARG A 96 -8.685 7.893 11.568 1.00 0.00 C ATOM 1457 NE ARG A 96 -8.198 9.299 11.574 1.00 0.00 N ATOM 1458 CZ ARG A 96 -8.801 10.191 12.308 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -9.920 10.721 11.900 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -8.285 10.552 13.451 1.00 0.00 N ATOM 0 H ARG A 96 -7.127 4.720 9.422 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.674 6.227 9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.703 6.799 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.915 8.062 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.563 6.058 11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.580 7.506 11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.592 7.792 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.927 7.555 12.576 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.394 9.564 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.323 10.437 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.393 11.419 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.410 10.136 13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.757 11.250 14.026 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.841 5.117 6.792 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.092 5.171 5.326 1.00 0.00 C ATOM 1476 C TYR A 97 -10.582 4.967 5.033 1.00 0.00 C ATOM 1477 O TYR A 97 -11.050 5.258 3.955 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.249 4.032 4.748 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.787 4.422 4.799 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.174 4.680 6.033 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.047 4.535 3.616 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.825 5.046 6.084 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.696 4.904 3.669 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.086 5.159 4.902 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.756 5.522 4.951 1.00 0.00 O ATOM 0 H TYR A 97 -8.531 4.212 7.146 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.826 6.133 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.414 3.117 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.548 3.827 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.744 4.596 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.517 4.338 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.354 5.241 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.125 4.992 2.757 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.363 5.211 5.793 1.00 0.00 H new ATOM 1495 N SER A 98 -11.326 4.487 5.997 1.00 0.00 N ATOM 1496 CA SER A 98 -12.797 4.268 5.806 1.00 0.00 C ATOM 1497 C SER A 98 -13.059 2.993 4.992 1.00 0.00 C ATOM 1498 O SER A 98 -14.128 2.793 4.451 1.00 0.00 O ATOM 1499 CB SER A 98 -13.318 5.513 5.086 1.00 0.00 C ATOM 1500 OG SER A 98 -12.492 6.626 5.409 1.00 0.00 O ATOM 0 H SER A 98 -10.975 4.234 6.920 1.00 0.00 H new ATOM 0 HA SER A 98 -13.309 4.127 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.321 5.349 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.348 5.713 5.381 1.00 0.00 H new ATOM 0 HG SER A 98 -11.892 6.817 4.658 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.097 2.115 4.945 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.269 0.816 4.218 1.00 0.00 C ATOM 1508 C ASN A 99 -12.934 0.975 2.839 1.00 0.00 C ATOM 1509 O ASN A 99 -14.126 0.798 2.690 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.156 -0.014 5.145 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.357 -0.441 6.384 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -11.141 0.007 6.562 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.846 -1.195 7.201 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.185 2.240 5.384 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.303 0.357 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.028 0.567 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.526 -0.894 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.794 -1.547 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.309 -1.476 8.021 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.150 1.245 1.824 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.710 1.353 0.435 1.00 0.00 C ATOM 1522 C ILE A 100 -11.650 1.177 -0.689 1.00 0.00 C ATOM 1523 O ILE A 100 -12.007 0.719 -1.756 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.390 2.723 0.302 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.439 3.870 0.637 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.619 2.800 1.205 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.262 3.994 2.151 1.00 0.00 C ATOM 0 H ILE A 100 -11.144 1.396 1.895 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.418 0.535 0.301 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.693 2.829 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.472 3.698 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.830 4.804 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.088 3.778 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.329 2.023 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.318 2.654 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.581 4.816 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.229 4.189 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.850 3.066 2.546 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.397 1.551 -0.474 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.393 1.413 -1.550 1.00 0.00 C ATOM 1541 C PRO A 101 -8.666 0.074 -1.466 1.00 0.00 C ATOM 1542 O PRO A 101 -7.542 -0.060 -1.908 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.433 2.557 -1.266 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.563 2.849 0.201 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.777 2.119 0.722 1.00 0.00 C ATOM 0 HA PRO A 101 -9.833 1.445 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.410 2.280 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.683 3.434 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.668 2.527 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.664 3.921 0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.499 1.341 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.457 2.796 1.239 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.287 -0.918 -0.905 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.613 -2.239 -0.802 1.00 0.00 C ATOM 1555 C LEU A 102 -9.046 -3.138 -1.958 1.00 0.00 C ATOM 1556 O LEU A 102 -10.076 -2.920 -2.563 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.084 -2.814 0.533 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.615 -2.837 0.560 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.102 -4.273 0.754 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.123 -1.966 1.714 1.00 0.00 C ATOM 0 H LEU A 102 -10.228 -0.875 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.527 -2.160 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.691 -3.822 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.703 -2.211 1.357 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.998 -2.448 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.192 -4.288 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.745 -4.893 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.717 -4.664 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.213 -1.984 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.739 -2.353 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.779 -0.941 1.575 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.279 -4.149 -2.282 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.704 -5.029 -3.416 1.00 0.00 C ATOM 1574 C LEU A 103 -7.666 -6.110 -3.741 1.00 0.00 C ATOM 1575 O LEU A 103 -6.871 -6.499 -2.916 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.848 -4.080 -4.600 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.279 -4.128 -5.135 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.375 -3.235 -6.365 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.643 -5.563 -5.524 1.00 0.00 C ATOM 0 H LEU A 103 -7.402 -4.400 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.621 -5.564 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.599 -3.064 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.147 -4.358 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.967 -3.782 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.392 -3.262 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.118 -2.211 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.684 -3.592 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.664 -5.589 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.959 -5.915 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.565 -6.208 -4.649 1.00 0.00 H new ATOM 1591 N THR A 104 -7.694 -6.602 -4.952 1.00 0.00 N ATOM 1592 CA THR A 104 -6.739 -7.659 -5.372 1.00 0.00 C ATOM 1593 C THR A 104 -5.914 -7.188 -6.573 1.00 0.00 C ATOM 1594 O THR A 104 -5.383 -7.986 -7.321 1.00 0.00 O ATOM 1595 CB THR A 104 -7.615 -8.855 -5.751 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.795 -9.997 -5.953 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.385 -8.543 -7.035 1.00 0.00 C ATOM 0 H THR A 104 -8.350 -6.309 -5.676 1.00 0.00 H new ATOM 0 HA THR A 104 -6.028 -7.909 -4.585 1.00 0.00 H new ATOM 0 HB THR A 104 -8.323 -9.054 -4.947 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.990 -9.738 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.008 -9.397 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.016 -7.668 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.680 -8.341 -7.842 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.795 -5.900 -6.751 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.992 -5.351 -7.891 1.00 0.00 C ATOM 1607 C LYS A 105 -5.711 -5.472 -9.243 1.00 0.00 C ATOM 1608 O LYS A 105 -5.068 -5.686 -10.251 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.702 -6.169 -7.909 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.519 -5.211 -7.929 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.775 -5.306 -6.602 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.301 -5.610 -6.877 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.308 -6.760 -7.826 1.00 0.00 N ATOM 0 H LYS A 105 -6.223 -5.195 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.819 -4.284 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.651 -6.814 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.678 -6.818 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.850 -5.458 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.865 -4.190 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.870 -4.371 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.211 -6.089 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.205 -4.747 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.227 -5.862 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.235 -7.549 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.288 -7.065 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.124 -6.470 -8.726 1.00 0.00 H new ATOM 1627 N PRO A 106 -7.008 -5.296 -9.245 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.760 -5.350 -10.520 1.00 0.00 C ATOM 1629 C PRO A 106 -7.567 -4.022 -11.266 1.00 0.00 C ATOM 1630 O PRO A 106 -7.970 -3.864 -12.402 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.208 -5.511 -10.078 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.263 -4.912 -8.707 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.888 -5.045 -8.097 1.00 0.00 C ATOM 0 HA PRO A 106 -7.441 -6.150 -11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.888 -5.000 -10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.502 -6.561 -10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.560 -3.864 -8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.005 -5.424 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.599 -4.139 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.849 -5.864 -7.378 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.949 -3.068 -10.612 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.701 -1.731 -11.227 1.00 0.00 C ATOM 1643 C PHE A 107 -8.014 -1.008 -11.531 1.00 0.00 C ATOM 1644 O PHE A 107 -8.566 -1.103 -12.609 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.884 -2.004 -12.489 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.432 -2.070 -12.091 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -4.023 -2.998 -11.128 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.501 -1.195 -12.659 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.684 -3.057 -10.733 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.159 -1.251 -12.261 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.750 -2.183 -11.300 1.00 0.00 C ATOM 0 H PHE A 107 -6.600 -3.165 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.161 -1.068 -10.552 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.196 -2.940 -12.952 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.043 -1.216 -13.225 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.744 -3.671 -10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.816 -0.478 -13.403 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.370 -3.776 -9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.439 -0.574 -12.696 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.714 -2.227 -10.996 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.492 -0.266 -10.568 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.756 0.512 -10.731 1.00 0.00 C ATOM 1663 C LEU A 108 -10.106 1.194 -9.401 1.00 0.00 C ATOM 1664 O LEU A 108 -10.734 2.234 -9.368 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.838 -0.504 -11.119 1.00 0.00 C ATOM 1666 CG LEU A 108 -11.030 -1.522 -9.994 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -12.382 -1.289 -9.316 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.991 -2.934 -10.578 1.00 0.00 C ATOM 0 H LEU A 108 -8.050 -0.164 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.665 1.289 -11.490 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.778 0.012 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.554 -1.016 -12.039 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.233 -1.407 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.517 -2.015 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.412 -0.281 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.181 -1.404 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.128 -3.662 -9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.789 -3.046 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.028 -3.102 -11.061 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.700 0.608 -8.304 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.996 1.203 -6.967 1.00 0.00 C ATOM 1682 C ASP A 109 -8.889 0.836 -5.966 1.00 0.00 C ATOM 1683 O ASP A 109 -9.027 1.030 -4.775 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.326 0.577 -6.543 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.456 1.590 -6.743 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.350 2.393 -7.654 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.407 1.545 -5.980 1.00 0.00 O ATOM 0 H ASP A 109 -9.172 -0.264 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.047 2.291 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.521 -0.321 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.279 0.271 -5.498 1.00 0.00 H new ATOM 1692 N SER A 110 -7.803 0.277 -6.437 1.00 0.00 N ATOM 1693 CA SER A 110 -6.705 -0.131 -5.510 1.00 0.00 C ATOM 1694 C SER A 110 -5.793 1.058 -5.152 1.00 0.00 C ATOM 1695 O SER A 110 -6.256 2.090 -4.708 1.00 0.00 O ATOM 1696 CB SER A 110 -5.938 -1.206 -6.282 1.00 0.00 C ATOM 1697 OG SER A 110 -5.130 -1.947 -5.379 1.00 0.00 O ATOM 0 H SER A 110 -7.630 0.086 -7.424 1.00 0.00 H new ATOM 0 HA SER A 110 -7.087 -0.496 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.635 -1.870 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.316 -0.745 -7.050 1.00 0.00 H new ATOM 0 HG SER A 110 -4.639 -2.638 -5.871 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.498 0.907 -5.319 1.00 0.00 N ATOM 1704 CA GLU A 111 -3.540 2.005 -4.967 1.00 0.00 C ATOM 1705 C GLU A 111 -4.138 3.388 -5.238 1.00 0.00 C ATOM 1706 O GLU A 111 -3.986 4.301 -4.450 1.00 0.00 O ATOM 1707 CB GLU A 111 -2.323 1.770 -5.861 1.00 0.00 C ATOM 1708 CG GLU A 111 -1.085 2.390 -5.208 1.00 0.00 C ATOM 1709 CD GLU A 111 -0.830 1.718 -3.857 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -0.642 0.514 -3.844 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -0.828 2.420 -2.859 1.00 0.00 O ATOM 0 H GLU A 111 -4.061 0.062 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.292 1.987 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.171 0.701 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.489 2.212 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.218 2.266 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.231 3.462 -5.071 1.00 0.00 H new ATOM 1718 N LEU A 112 -4.820 3.556 -6.334 1.00 0.00 N ATOM 1719 CA LEU A 112 -5.419 4.890 -6.626 1.00 0.00 C ATOM 1720 C LEU A 112 -6.275 5.325 -5.443 1.00 0.00 C ATOM 1721 O LEU A 112 -5.900 6.191 -4.679 1.00 0.00 O ATOM 1722 CB LEU A 112 -6.279 4.686 -7.871 1.00 0.00 C ATOM 1723 CG LEU A 112 -5.423 4.075 -8.976 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -6.248 3.039 -9.741 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -4.966 5.177 -9.935 1.00 0.00 C ATOM 0 H LEU A 112 -4.989 2.836 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.667 5.662 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.121 4.032 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.695 5.638 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.549 3.592 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.639 2.601 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.573 2.255 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.121 3.522 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.354 4.741 -10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.838 5.660 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.380 5.915 -9.388 1.00 0.00 H new ATOM 1737 N GLU A 113 -7.414 4.719 -5.272 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.273 5.091 -4.121 1.00 0.00 C ATOM 1739 C GLU A 113 -7.451 5.010 -2.844 1.00 0.00 C ATOM 1740 O GLU A 113 -7.765 5.630 -1.850 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.395 4.055 -4.114 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.439 4.471 -5.143 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.712 3.642 -4.961 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.654 2.648 -4.256 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.725 4.016 -5.530 1.00 0.00 O ATOM 0 H GLU A 113 -7.785 3.986 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 113 -8.670 6.104 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.001 3.067 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.844 3.989 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.667 5.531 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.045 4.332 -6.150 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.397 4.245 -2.864 1.00 0.00 N ATOM 1753 CA ALA A 114 -5.556 4.121 -1.646 1.00 0.00 C ATOM 1754 C ALA A 114 -5.132 5.506 -1.158 1.00 0.00 C ATOM 1755 O ALA A 114 -5.077 5.765 0.028 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.336 3.312 -2.083 1.00 0.00 C ATOM 0 H ALA A 114 -6.083 3.702 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.088 3.641 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.665 3.178 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.658 2.337 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.813 3.843 -2.878 1.00 0.00 H new ATOM 1762 N VAL A 115 -4.827 6.399 -2.060 1.00 0.00 N ATOM 1763 CA VAL A 115 -4.404 7.766 -1.623 1.00 0.00 C ATOM 1764 C VAL A 115 -5.483 8.812 -1.922 1.00 0.00 C ATOM 1765 O VAL A 115 -5.680 9.742 -1.166 1.00 0.00 O ATOM 1766 CB VAL A 115 -3.117 8.077 -2.393 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -1.940 7.381 -1.714 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.225 7.579 -3.833 1.00 0.00 C ATOM 0 H VAL A 115 -4.851 6.247 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.244 7.796 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.964 9.156 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.023 7.601 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.847 7.740 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.109 6.304 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.303 7.807 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.387 6.501 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.062 8.073 -4.327 1.00 0.00 H new ATOM 1778 N LEU A 116 -6.166 8.686 -3.027 1.00 0.00 N ATOM 1779 CA LEU A 116 -7.206 9.699 -3.373 1.00 0.00 C ATOM 1780 C LEU A 116 -8.505 9.462 -2.596 1.00 0.00 C ATOM 1781 O LEU A 116 -9.347 10.335 -2.515 1.00 0.00 O ATOM 1782 CB LEU A 116 -7.435 9.547 -4.878 1.00 0.00 C ATOM 1783 CG LEU A 116 -7.931 8.137 -5.179 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.460 8.129 -5.215 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -7.386 7.686 -6.536 1.00 0.00 C ATOM 0 H LEU A 116 -6.051 7.930 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.882 10.706 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.164 10.281 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.509 9.741 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.584 7.456 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.814 7.121 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.848 8.451 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.809 8.809 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.739 6.678 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.734 8.368 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.296 7.691 -6.510 1.00 0.00 H new ATOM 1797 N VAL A 117 -8.686 8.308 -2.014 1.00 0.00 N ATOM 1798 CA VAL A 117 -9.942 8.072 -1.246 1.00 0.00 C ATOM 1799 C VAL A 117 -10.190 9.245 -0.298 1.00 0.00 C ATOM 1800 O VAL A 117 -11.314 9.621 -0.042 1.00 0.00 O ATOM 1801 CB VAL A 117 -9.710 6.789 -0.443 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -8.369 6.866 0.292 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -10.829 6.625 0.585 1.00 0.00 C ATOM 0 H VAL A 117 -8.029 7.528 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.808 7.981 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.701 5.940 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.212 5.949 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.563 6.986 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -8.375 7.718 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.666 5.712 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.832 7.481 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.789 6.565 0.072 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.147 9.818 0.230 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.324 10.963 1.176 1.00 0.00 C ATOM 1815 C GLN A 118 -9.620 12.237 0.392 1.00 0.00 C ATOM 1816 O GLN A 118 -10.705 12.780 0.445 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.993 11.126 1.940 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.198 9.817 1.959 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.545 9.634 3.329 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -5.338 9.547 3.433 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.299 9.570 4.390 1.00 0.00 N ATOM 0 H GLN A 118 -8.180 9.547 0.051 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.151 10.778 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.397 11.909 1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.195 11.446 2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.857 8.976 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.435 9.831 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.312 9.643 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.876 9.447 5.310 1.00 0.00 H new ATOM 1830 N ILE A 119 -8.648 12.723 -0.320 1.00 0.00 N ATOM 1831 CA ILE A 119 -8.848 13.977 -1.103 1.00 0.00 C ATOM 1832 C ILE A 119 -9.958 13.822 -2.154 1.00 0.00 C ATOM 1833 O ILE A 119 -11.038 14.360 -2.009 1.00 0.00 O ATOM 1834 CB ILE A 119 -7.490 14.277 -1.777 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -7.692 15.187 -3.000 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -6.814 12.980 -2.237 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -8.775 16.231 -2.709 1.00 0.00 C ATOM 0 H ILE A 119 -7.719 12.308 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 119 -9.165 14.793 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.857 14.776 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.755 15.684 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.977 14.588 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -5.860 13.215 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.644 12.333 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.457 12.469 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.909 16.869 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -9.714 15.727 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.473 16.840 -1.857 1.00 0.00 H new ATOM 1849 N SER A 120 -9.689 13.139 -3.231 1.00 0.00 N ATOM 1850 CA SER A 120 -10.717 13.012 -4.306 1.00 0.00 C ATOM 1851 C SER A 120 -11.755 11.945 -3.975 1.00 0.00 C ATOM 1852 O SER A 120 -12.929 12.231 -3.855 1.00 0.00 O ATOM 1853 CB SER A 120 -9.929 12.615 -5.552 1.00 0.00 C ATOM 1854 OG SER A 120 -9.296 13.768 -6.091 1.00 0.00 O ATOM 0 H SER A 120 -8.805 12.664 -3.415 1.00 0.00 H new ATOM 0 HA SER A 120 -11.273 13.940 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.184 11.860 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.595 12.171 -6.292 1.00 0.00 H new ATOM 0 HG SER A 120 -8.787 13.518 -6.890 1.00 0.00 H new ATOM 1860 N LYS A 121 -11.340 10.717 -3.846 1.00 0.00 N ATOM 1861 CA LYS A 121 -12.312 9.627 -3.546 1.00 0.00 C ATOM 1862 C LYS A 121 -13.163 9.339 -4.785 1.00 0.00 C ATOM 1863 O LYS A 121 -14.143 8.623 -4.733 1.00 0.00 O ATOM 1864 CB LYS A 121 -13.172 10.153 -2.396 1.00 0.00 C ATOM 1865 CG LYS A 121 -13.596 8.968 -1.523 1.00 0.00 C ATOM 1866 CD LYS A 121 -14.493 9.446 -0.372 1.00 0.00 C ATOM 1867 CE LYS A 121 -13.762 10.507 0.455 1.00 0.00 C ATOM 1868 NZ LYS A 121 -14.810 11.110 1.322 1.00 0.00 N ATOM 0 H LYS A 121 -10.369 10.419 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 121 -11.821 8.693 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.612 10.877 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -14.049 10.670 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.129 8.235 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.714 8.469 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.420 9.858 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.765 8.602 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -12.965 10.063 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.300 11.258 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.384 11.847 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -15.552 11.531 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.227 10.373 1.926 1.00 0.00 H new ATOM 1882 N GLU A 122 -12.777 9.890 -5.901 1.00 0.00 N ATOM 1883 CA GLU A 122 -13.528 9.665 -7.167 1.00 0.00 C ATOM 1884 C GLU A 122 -12.562 9.818 -8.339 1.00 0.00 C ATOM 1885 O GLU A 122 -12.945 10.128 -9.449 1.00 0.00 O ATOM 1886 CB GLU A 122 -14.612 10.750 -7.206 1.00 0.00 C ATOM 1887 CG GLU A 122 -14.056 12.060 -6.643 1.00 0.00 C ATOM 1888 CD GLU A 122 -14.867 13.239 -7.186 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -16.077 13.108 -7.280 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -14.265 14.253 -7.498 1.00 0.00 O ATOM 0 H GLU A 122 -11.961 10.496 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 122 -13.974 8.672 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -14.953 10.900 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -15.478 10.433 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -14.100 12.047 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.007 12.170 -6.919 1.00 0.00 H new ATOM 1897 N VAL A 123 -11.301 9.604 -8.080 1.00 0.00 N ATOM 1898 CA VAL A 123 -10.268 9.733 -9.155 1.00 0.00 C ATOM 1899 C VAL A 123 -10.368 11.117 -9.812 1.00 0.00 C ATOM 1900 O VAL A 123 -11.324 11.820 -9.528 1.00 0.00 O ATOM 1901 CB VAL A 123 -10.532 8.588 -10.173 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -11.493 7.546 -9.590 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -11.131 9.139 -11.475 1.00 0.00 C ATOM 0 H VAL A 123 -10.936 9.343 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.257 9.647 -8.757 1.00 0.00 H new ATOM 0 HB VAL A 123 -9.572 8.117 -10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.661 6.756 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.060 7.117 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -12.442 8.023 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -11.306 8.318 -12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.075 9.639 -11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -10.437 9.851 -11.922 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 0.936 -9.576 -9.590 1.00 0.00 CA HETATM 1915 BE BEF A 202 -1.205 -8.870 -7.707 1.00 0.00 BE HETATM 1916 F1 BEF A 202 -1.969 -10.025 -8.785 1.00 0.00 F HETATM 1917 F2 BEF A 202 -0.964 -10.217 -7.195 1.00 0.00 F HETATM 1918 F3 BEF A 202 -0.562 -8.612 -8.870 1.00 0.00 F