USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 58:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -128:sc= -0.453 (180deg=-1.04) USER MOD Set 2.1: A 18 MET CE :methyl 167:sc= -1.06 (180deg=-0.816) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= -0.103 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 MET CE :methyl -144:sc= -0.62 (180deg=-3.13!) USER MOD Single : A 4 THR OG1 : rot -125:sc= 1.53 USER MOD Single : A 7 TYR OH : rot -157:sc= 1.3 USER MOD Single : A 8 GLN : amide:sc= 1.02 K(o=1,f=-3.6!) USER MOD Single : A 11 GLN : amide:sc= -4.06! K(o=-4.1!,f=-0.053) USER MOD Single : A 17 MET CE :methyl -178:sc= -2.7 (180deg=-2.71) USER MOD Single : A 26 ASN : amide:sc= -1.01! C(o=-1!,f=-9.5!) USER MOD Single : A 28 GLN : amide:sc= -0.782 K(o=-0.78,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.45) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -79:sc= 0.0499 USER MOD Single : A 43 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.8) USER MOD Single : A 51 CYS SG : rot -109:sc= -3.28! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.666 USER MOD Single : A 62 TYR OH : rot -42:sc= -4.19! USER MOD Single : A 65 TYR OH : rot 92:sc= 0.0488 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0.375 (180deg=0.25) USER MOD Single : A 70 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.29) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -24:sc= 0.367 USER MOD Single : A 83 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-1.44) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.595 K(o=0.59,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.252 0.185 5.442 1.00 0.00 N ATOM 2 CA GLY A 1 23.127 -0.777 5.485 1.00 0.00 C ATOM 3 C GLY A 1 22.464 -0.943 4.133 1.00 0.00 C ATOM 4 O GLY A 1 21.931 0.014 3.569 1.00 0.00 O ATOM 0 H1 GLY A 1 24.675 0.267 6.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.970 -0.151 4.769 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.901 1.116 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.492 -1.744 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.388 -0.437 6.211 1.00 0.00 H new ATOM 10 N SER A 2 22.511 -2.156 3.602 1.00 0.00 N ATOM 11 CA SER A 2 21.852 -2.467 2.346 1.00 0.00 C ATOM 12 C SER A 2 20.795 -3.541 2.586 1.00 0.00 C ATOM 13 O SER A 2 20.982 -4.711 2.246 1.00 0.00 O ATOM 14 CB SER A 2 22.880 -2.927 1.301 1.00 0.00 C ATOM 15 OG SER A 2 22.271 -3.158 0.040 1.00 0.00 O ATOM 0 H SER A 2 23.002 -2.943 4.026 1.00 0.00 H new ATOM 0 HA SER A 2 21.364 -1.573 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.658 -2.171 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.366 -3.840 1.644 1.00 0.00 H new ATOM 0 HG SER A 2 22.951 -3.448 -0.603 1.00 0.00 H new ATOM 21 N MET A 3 19.687 -3.132 3.187 1.00 0.00 N ATOM 22 CA MET A 3 18.638 -4.065 3.559 1.00 0.00 C ATOM 23 C MET A 3 17.637 -4.242 2.431 1.00 0.00 C ATOM 24 O MET A 3 17.636 -3.490 1.456 1.00 0.00 O ATOM 25 CB MET A 3 17.906 -3.608 4.823 1.00 0.00 C ATOM 26 CG MET A 3 17.057 -2.356 4.645 1.00 0.00 C ATOM 27 SD MET A 3 18.021 -0.882 4.239 1.00 0.00 S ATOM 28 CE MET A 3 19.114 -0.776 5.656 1.00 0.00 C ATOM 0 H MET A 3 19.493 -2.160 3.427 1.00 0.00 H new ATOM 0 HA MET A 3 19.120 -5.022 3.760 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.266 -4.419 5.170 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.641 -3.425 5.607 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.326 -2.531 3.855 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.497 -2.173 5.562 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.281 0.271 5.909 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.659 -1.286 6.505 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.067 -1.248 5.417 1.00 0.00 H new ATOM 38 N THR A 4 16.785 -5.238 2.585 1.00 0.00 N ATOM 39 CA THR A 4 15.801 -5.572 1.576 1.00 0.00 C ATOM 40 C THR A 4 14.403 -5.577 2.175 1.00 0.00 C ATOM 41 O THR A 4 13.460 -6.119 1.591 1.00 0.00 O ATOM 42 CB THR A 4 16.135 -6.932 0.938 1.00 0.00 C ATOM 43 OG1 THR A 4 15.182 -7.259 -0.077 1.00 0.00 O ATOM 44 CG2 THR A 4 16.171 -8.019 2.002 1.00 0.00 C ATOM 0 H THR A 4 16.756 -5.836 3.411 1.00 0.00 H new ATOM 0 HA THR A 4 15.827 -4.813 0.794 1.00 0.00 H new ATOM 0 HB THR A 4 17.120 -6.864 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.786 -8.135 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.408 -8.976 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.932 -7.777 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.198 -8.084 2.489 1.00 0.00 H new ATOM 52 N VAL A 5 14.292 -4.955 3.347 1.00 0.00 N ATOM 53 CA VAL A 5 13.001 -4.700 3.979 1.00 0.00 C ATOM 54 C VAL A 5 12.375 -5.959 4.592 1.00 0.00 C ATOM 55 O VAL A 5 12.472 -7.060 4.053 1.00 0.00 O ATOM 56 CB VAL A 5 12.027 -4.053 2.968 1.00 0.00 C ATOM 57 CG1 VAL A 5 10.599 -4.072 3.465 1.00 0.00 C ATOM 58 CG2 VAL A 5 12.461 -2.631 2.646 1.00 0.00 C ATOM 0 H VAL A 5 15.091 -4.615 3.883 1.00 0.00 H new ATOM 0 HA VAL A 5 13.185 -4.009 4.802 1.00 0.00 H new ATOM 0 HB VAL A 5 12.061 -4.649 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.949 -3.607 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.284 -5.103 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.533 -3.520 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.764 -2.191 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.469 -2.037 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.462 -2.645 2.214 1.00 0.00 H new ATOM 68 N ARG A 6 11.758 -5.764 5.745 1.00 0.00 N ATOM 69 CA ARG A 6 10.981 -6.796 6.418 1.00 0.00 C ATOM 70 C ARG A 6 9.616 -6.230 6.782 1.00 0.00 C ATOM 71 O ARG A 6 9.401 -5.752 7.896 1.00 0.00 O ATOM 72 CB ARG A 6 11.694 -7.291 7.680 1.00 0.00 C ATOM 73 CG ARG A 6 12.948 -8.104 7.401 1.00 0.00 C ATOM 74 CD ARG A 6 12.626 -9.407 6.681 1.00 0.00 C ATOM 75 NE ARG A 6 11.540 -10.146 7.329 1.00 0.00 N ATOM 76 CZ ARG A 6 11.630 -11.404 7.756 1.00 0.00 C ATOM 77 NH1 ARG A 6 12.768 -12.075 7.634 1.00 0.00 N ATOM 78 NH2 ARG A 6 10.576 -11.991 8.306 1.00 0.00 N ATOM 0 H ARG A 6 11.781 -4.876 6.247 1.00 0.00 H new ATOM 0 HA ARG A 6 10.867 -7.645 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.960 -6.432 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.001 -7.899 8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.637 -7.514 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.456 -8.323 8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.350 -9.191 5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.519 -10.032 6.648 1.00 0.00 H new ATOM 0 HE ARG A 6 10.652 -9.663 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.581 -11.627 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.830 -13.038 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.699 -11.479 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.642 -12.955 8.634 1.00 0.00 H new ATOM 92 N TYR A 7 8.700 -6.283 5.834 1.00 0.00 N ATOM 93 CA TYR A 7 7.404 -5.641 5.996 1.00 0.00 C ATOM 94 C TYR A 7 6.293 -6.652 6.206 1.00 0.00 C ATOM 95 O TYR A 7 6.385 -7.809 5.798 1.00 0.00 O ATOM 96 CB TYR A 7 7.097 -4.742 4.792 1.00 0.00 C ATOM 97 CG TYR A 7 6.811 -5.481 3.508 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.840 -5.910 2.683 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.507 -5.735 3.117 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.577 -6.577 1.506 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.233 -6.397 1.944 1.00 0.00 C ATOM 102 CZ TYR A 7 6.272 -6.819 1.138 1.00 0.00 C ATOM 103 OH TYR A 7 6.011 -7.481 -0.036 1.00 0.00 O ATOM 0 H TYR A 7 8.827 -6.763 4.943 1.00 0.00 H new ATOM 0 HA TYR A 7 7.454 -5.024 6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.238 -4.116 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.943 -4.074 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.864 -5.718 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.691 -5.407 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.389 -6.908 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.210 -6.586 1.654 1.00 0.00 H new ATOM 0 HH TYR A 7 5.105 -7.262 -0.340 1.00 0.00 H new ATOM 113 N GLN A 8 5.236 -6.187 6.839 1.00 0.00 N ATOM 114 CA GLN A 8 4.092 -7.017 7.135 1.00 0.00 C ATOM 115 C GLN A 8 2.836 -6.343 6.648 1.00 0.00 C ATOM 116 O GLN A 8 2.670 -5.129 6.779 1.00 0.00 O ATOM 117 CB GLN A 8 3.949 -7.286 8.628 1.00 0.00 C ATOM 118 CG GLN A 8 5.045 -8.135 9.232 1.00 0.00 C ATOM 119 CD GLN A 8 4.634 -8.660 10.587 1.00 0.00 C ATOM 120 OE1 GLN A 8 4.844 -8.009 11.611 1.00 0.00 O ATOM 121 NE2 GLN A 8 4.030 -9.837 10.602 1.00 0.00 N ATOM 0 H GLN A 8 5.148 -5.223 7.162 1.00 0.00 H new ATOM 0 HA GLN A 8 4.244 -7.969 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.919 -6.331 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.992 -7.777 8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.272 -8.969 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.957 -7.545 9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.876 -10.342 9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.718 -10.239 11.486 1.00 0.00 H new ATOM 130 N ILE A 9 1.966 -7.138 6.091 1.00 0.00 N ATOM 131 CA ILE A 9 0.688 -6.657 5.609 1.00 0.00 C ATOM 132 C ILE A 9 -0.421 -6.985 6.600 1.00 0.00 C ATOM 133 O ILE A 9 -0.659 -8.152 6.921 1.00 0.00 O ATOM 134 CB ILE A 9 0.362 -7.248 4.229 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.345 -6.690 3.201 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.074 -6.948 3.841 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.994 -7.001 1.767 1.00 0.00 C ATOM 0 H ILE A 9 2.116 -8.138 5.955 1.00 0.00 H new ATOM 0 HA ILE A 9 0.755 -5.574 5.510 1.00 0.00 H new ATOM 0 HB ILE A 9 0.466 -8.332 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.402 -5.608 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.338 -7.087 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.283 -7.376 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.749 -7.383 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.223 -5.869 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.745 -6.567 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.967 -8.081 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.017 -6.579 1.532 1.00 0.00 H new ATOM 149 N GLU A 10 -1.082 -5.946 7.088 1.00 0.00 N ATOM 150 CA GLU A 10 -2.129 -6.091 8.080 1.00 0.00 C ATOM 151 C GLU A 10 -3.456 -5.552 7.552 1.00 0.00 C ATOM 152 O GLU A 10 -3.493 -4.750 6.616 1.00 0.00 O ATOM 153 CB GLU A 10 -1.729 -5.338 9.349 1.00 0.00 C ATOM 154 CG GLU A 10 -1.788 -3.822 9.212 1.00 0.00 C ATOM 155 CD GLU A 10 -1.355 -3.103 10.470 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.213 -2.853 11.343 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.155 -2.787 10.595 1.00 0.00 O ATOM 0 H GLU A 10 -0.906 -4.982 6.806 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.257 -7.150 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.385 -5.645 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.716 -5.629 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.151 -3.511 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.806 -3.524 8.960 1.00 0.00 H new ATOM 164 N GLN A 11 -4.542 -5.998 8.157 1.00 0.00 N ATOM 165 CA GLN A 11 -5.866 -5.532 7.797 1.00 0.00 C ATOM 166 C GLN A 11 -6.219 -4.293 8.607 1.00 0.00 C ATOM 167 O GLN A 11 -6.070 -4.271 9.828 1.00 0.00 O ATOM 168 CB GLN A 11 -6.887 -6.658 8.022 1.00 0.00 C ATOM 169 CG GLN A 11 -8.342 -6.207 8.181 1.00 0.00 C ATOM 170 CD GLN A 11 -9.028 -5.804 6.883 1.00 0.00 C ATOM 171 OE1 GLN A 11 -10.239 -5.957 6.737 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.277 -5.284 5.935 1.00 0.00 N ATOM 0 H GLN A 11 -4.530 -6.689 8.907 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.886 -5.259 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.829 -7.350 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.598 -7.214 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.911 -7.015 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.373 -5.363 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.275 -5.169 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.698 -4.996 5.051 1.00 0.00 H new ATOM 181 N LEU A 12 -6.670 -3.257 7.905 1.00 0.00 N ATOM 182 CA LEU A 12 -7.001 -1.986 8.533 1.00 0.00 C ATOM 183 C LEU A 12 -8.205 -2.141 9.458 1.00 0.00 C ATOM 184 O LEU A 12 -8.226 -1.593 10.558 1.00 0.00 O ATOM 185 CB LEU A 12 -7.302 -0.931 7.466 1.00 0.00 C ATOM 186 CG LEU A 12 -6.540 0.394 7.578 1.00 0.00 C ATOM 187 CD1 LEU A 12 -5.925 0.567 8.961 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.475 0.480 6.496 1.00 0.00 C ATOM 0 H LEU A 12 -6.814 -3.276 6.895 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.144 -1.663 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.090 -1.365 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.370 -0.714 7.493 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.251 1.208 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.392 1.517 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.713 0.557 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.229 -0.249 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.940 1.426 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.773 -0.346 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.947 0.422 5.515 1.00 0.00 H new ATOM 200 N GLY A 13 -9.212 -2.878 8.996 1.00 0.00 N ATOM 201 CA GLY A 13 -10.370 -3.146 9.821 1.00 0.00 C ATOM 202 C GLY A 13 -11.581 -3.532 9.006 1.00 0.00 C ATOM 203 O GLY A 13 -12.174 -4.590 9.216 1.00 0.00 O ATOM 0 H GLY A 13 -9.244 -3.293 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.136 -3.948 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.602 -2.262 10.415 1.00 0.00 H new ATOM 207 N ASP A 14 -11.944 -2.674 8.070 1.00 0.00 N ATOM 208 CA ASP A 14 -13.139 -2.883 7.271 1.00 0.00 C ATOM 209 C ASP A 14 -12.785 -3.381 5.877 1.00 0.00 C ATOM 210 O ASP A 14 -12.944 -4.563 5.567 1.00 0.00 O ATOM 211 CB ASP A 14 -13.943 -1.588 7.168 1.00 0.00 C ATOM 212 CG ASP A 14 -14.227 -0.964 8.520 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.222 -1.347 9.161 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.442 -0.090 8.955 1.00 0.00 O ATOM 0 H ASP A 14 -11.428 -1.824 7.844 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.744 -3.643 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.397 -0.875 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.886 -1.791 6.661 1.00 0.00 H new ATOM 219 N SER A 15 -12.286 -2.480 5.046 1.00 0.00 N ATOM 220 CA SER A 15 -11.960 -2.806 3.665 1.00 0.00 C ATOM 221 C SER A 15 -10.796 -1.953 3.174 1.00 0.00 C ATOM 222 O SER A 15 -10.839 -1.360 2.099 1.00 0.00 O ATOM 223 CB SER A 15 -13.183 -2.617 2.770 1.00 0.00 C ATOM 224 OG SER A 15 -13.782 -1.343 2.968 1.00 0.00 O ATOM 0 H SER A 15 -12.097 -1.512 5.305 1.00 0.00 H new ATOM 0 HA SER A 15 -11.659 -3.853 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.891 -2.724 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.912 -3.400 2.979 1.00 0.00 H new ATOM 0 HG SER A 15 -13.123 -0.640 2.787 1.00 0.00 H new ATOM 230 N ALA A 16 -9.761 -1.903 3.986 1.00 0.00 N ATOM 231 CA ALA A 16 -8.540 -1.199 3.649 1.00 0.00 C ATOM 232 C ALA A 16 -7.357 -1.990 4.176 1.00 0.00 C ATOM 233 O ALA A 16 -7.499 -2.765 5.125 1.00 0.00 O ATOM 234 CB ALA A 16 -8.549 0.212 4.220 1.00 0.00 C ATOM 0 H ALA A 16 -9.742 -2.351 4.902 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.462 -1.108 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.622 0.719 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.395 0.765 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.637 0.165 5.305 1.00 0.00 H new ATOM 240 N MET A 17 -6.204 -1.814 3.570 1.00 0.00 N ATOM 241 CA MET A 17 -5.038 -2.613 3.936 1.00 0.00 C ATOM 242 C MET A 17 -3.823 -1.749 4.242 1.00 0.00 C ATOM 243 O MET A 17 -3.404 -0.943 3.425 1.00 0.00 O ATOM 244 CB MET A 17 -4.726 -3.595 2.807 1.00 0.00 C ATOM 245 CG MET A 17 -3.438 -4.362 2.981 1.00 0.00 C ATOM 246 SD MET A 17 -3.388 -5.856 1.979 1.00 0.00 S ATOM 247 CE MET A 17 -3.428 -5.163 0.337 1.00 0.00 C ATOM 0 H MET A 17 -6.041 -1.134 2.828 1.00 0.00 H new ATOM 0 HA MET A 17 -5.274 -3.160 4.849 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.548 -4.305 2.723 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.682 -3.046 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.598 -3.721 2.714 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.316 -4.628 4.031 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.439 -5.968 -0.398 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.325 -4.554 0.221 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.545 -4.542 0.182 1.00 0.00 H new ATOM 257 N MET A 18 -3.259 -1.924 5.426 1.00 0.00 N ATOM 258 CA MET A 18 -2.063 -1.177 5.809 1.00 0.00 C ATOM 259 C MET A 18 -0.854 -2.105 5.857 1.00 0.00 C ATOM 260 O MET A 18 -0.945 -3.243 6.308 1.00 0.00 O ATOM 261 CB MET A 18 -2.253 -0.485 7.159 1.00 0.00 C ATOM 262 CG MET A 18 -1.019 0.254 7.656 1.00 0.00 C ATOM 263 SD MET A 18 -1.198 0.883 9.339 1.00 0.00 S ATOM 264 CE MET A 18 -2.455 2.137 9.103 1.00 0.00 C ATOM 0 H MET A 18 -3.603 -2.570 6.136 1.00 0.00 H new ATOM 0 HA MET A 18 -1.890 -0.408 5.057 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.079 0.221 7.080 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.540 -1.231 7.900 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.161 -0.416 7.615 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.806 1.086 6.985 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.839 2.454 10.073 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.022 2.994 8.587 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.270 1.728 8.506 1.00 0.00 H new ATOM 274 N ILE A 19 0.271 -1.614 5.375 1.00 0.00 N ATOM 275 CA ILE A 19 1.484 -2.413 5.296 1.00 0.00 C ATOM 276 C ILE A 19 2.656 -1.687 5.942 1.00 0.00 C ATOM 277 O ILE A 19 3.108 -0.667 5.432 1.00 0.00 O ATOM 278 CB ILE A 19 1.833 -2.698 3.826 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.657 -3.355 3.123 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.054 -3.591 3.723 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.474 -2.867 1.708 1.00 0.00 C ATOM 0 H ILE A 19 0.373 -0.660 5.030 1.00 0.00 H new ATOM 0 HA ILE A 19 1.303 -3.348 5.827 1.00 0.00 H new ATOM 0 HB ILE A 19 2.056 -1.747 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.803 -4.435 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.254 -3.161 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.281 -3.778 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.905 -3.100 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.856 -4.538 4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.380 -3.371 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.299 -1.791 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.371 -3.085 1.129 1.00 0.00 H new ATOM 293 N ARG A 20 3.155 -2.204 7.052 1.00 0.00 N ATOM 294 CA ARG A 20 4.297 -1.579 7.708 1.00 0.00 C ATOM 295 C ARG A 20 5.583 -2.267 7.275 1.00 0.00 C ATOM 296 O ARG A 20 5.716 -3.487 7.379 1.00 0.00 O ATOM 297 CB ARG A 20 4.165 -1.573 9.244 1.00 0.00 C ATOM 298 CG ARG A 20 4.350 -2.921 9.932 1.00 0.00 C ATOM 299 CD ARG A 20 3.094 -3.776 9.886 1.00 0.00 C ATOM 300 NE ARG A 20 3.238 -4.978 10.688 1.00 0.00 N ATOM 301 CZ ARG A 20 2.331 -5.417 11.565 1.00 0.00 C ATOM 302 NH1 ARG A 20 1.203 -4.751 11.758 1.00 0.00 N ATOM 303 NH2 ARG A 20 2.551 -6.529 12.252 1.00 0.00 N ATOM 0 H ARG A 20 2.797 -3.040 7.514 1.00 0.00 H new ATOM 0 HA ARG A 20 4.325 -0.535 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.898 -0.876 9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.179 -1.186 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.169 -3.459 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.637 -2.759 10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.245 -3.196 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.877 -4.050 8.854 1.00 0.00 H new ATOM 0 HE ARG A 20 4.091 -5.525 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.020 -3.895 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.517 -5.094 12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.415 -7.053 12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.856 -6.861 12.921 1.00 0.00 H new ATOM 317 N PHE A 21 6.508 -1.480 6.750 1.00 0.00 N ATOM 318 CA PHE A 21 7.790 -1.995 6.302 1.00 0.00 C ATOM 319 C PHE A 21 8.834 -1.770 7.384 1.00 0.00 C ATOM 320 O PHE A 21 8.511 -1.657 8.566 1.00 0.00 O ATOM 321 CB PHE A 21 8.265 -1.290 5.020 1.00 0.00 C ATOM 322 CG PHE A 21 7.286 -1.279 3.872 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.134 -0.520 3.935 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.549 -1.989 2.711 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.257 -0.466 2.874 1.00 0.00 C ATOM 326 CE2 PHE A 21 6.671 -1.950 1.644 1.00 0.00 C ATOM 327 CZ PHE A 21 5.523 -1.186 1.725 1.00 0.00 C ATOM 0 H PHE A 21 6.392 -0.475 6.623 1.00 0.00 H new ATOM 0 HA PHE A 21 7.665 -3.058 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.516 -0.259 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.184 -1.770 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.917 0.041 4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.450 -2.580 2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.364 0.138 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.882 -2.516 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.835 -1.152 0.893 1.00 0.00 H new ATOM 337 N GLY A 22 10.078 -1.674 6.958 1.00 0.00 N ATOM 338 CA GLY A 22 11.160 -1.391 7.875 1.00 0.00 C ATOM 339 C GLY A 22 12.001 -2.604 8.199 1.00 0.00 C ATOM 340 O GLY A 22 11.828 -3.671 7.611 1.00 0.00 O ATOM 0 H GLY A 22 10.362 -1.788 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.798 -0.619 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.747 -0.986 8.799 1.00 0.00 H new ATOM 344 N GLU A 23 12.947 -2.406 9.099 1.00 0.00 N ATOM 345 CA GLU A 23 13.759 -3.477 9.646 1.00 0.00 C ATOM 346 C GLU A 23 14.147 -3.126 11.068 1.00 0.00 C ATOM 347 O GLU A 23 13.638 -3.697 12.032 1.00 0.00 O ATOM 348 CB GLU A 23 15.035 -3.697 8.830 1.00 0.00 C ATOM 349 CG GLU A 23 16.066 -4.530 9.579 1.00 0.00 C ATOM 350 CD GLU A 23 17.435 -4.510 8.927 1.00 0.00 C ATOM 351 OE1 GLU A 23 17.612 -5.160 7.875 1.00 0.00 O ATOM 352 OE2 GLU A 23 18.343 -3.839 9.465 1.00 0.00 O ATOM 0 H GLU A 23 13.176 -1.486 9.475 1.00 0.00 H new ATOM 0 HA GLU A 23 13.170 -4.394 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.783 -4.193 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.470 -2.731 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.151 -4.159 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.715 -5.560 9.642 1.00 0.00 H new ATOM 359 N GLU A 24 15.048 -2.163 11.183 1.00 0.00 N ATOM 360 CA GLU A 24 15.524 -1.724 12.470 1.00 0.00 C ATOM 361 C GLU A 24 15.543 -0.199 12.528 1.00 0.00 C ATOM 362 O GLU A 24 14.735 0.416 13.220 1.00 0.00 O ATOM 363 CB GLU A 24 16.913 -2.297 12.754 1.00 0.00 C ATOM 364 CG GLU A 24 17.475 -1.880 14.103 1.00 0.00 C ATOM 365 CD GLU A 24 18.678 -2.699 14.511 1.00 0.00 C ATOM 366 OE1 GLU A 24 19.720 -2.613 13.831 1.00 0.00 O ATOM 367 OE2 GLU A 24 18.582 -3.442 15.509 1.00 0.00 O ATOM 0 H GLU A 24 15.462 -1.672 10.390 1.00 0.00 H new ATOM 0 HA GLU A 24 14.845 -2.092 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.865 -3.385 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.598 -1.976 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.753 -0.827 14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.699 -1.979 14.862 1.00 0.00 H new ATOM 374 N ILE A 25 16.462 0.402 11.775 1.00 0.00 N ATOM 375 CA ILE A 25 16.582 1.859 11.705 1.00 0.00 C ATOM 376 C ILE A 25 16.849 2.307 10.271 1.00 0.00 C ATOM 377 O ILE A 25 17.614 3.239 10.022 1.00 0.00 O ATOM 378 CB ILE A 25 17.716 2.389 12.616 1.00 0.00 C ATOM 379 CG1 ILE A 25 19.035 1.674 12.303 1.00 0.00 C ATOM 380 CG2 ILE A 25 17.350 2.221 14.082 1.00 0.00 C ATOM 381 CD1 ILE A 25 20.232 2.259 13.021 1.00 0.00 C ATOM 0 H ILE A 25 17.139 -0.100 11.201 1.00 0.00 H new ATOM 0 HA ILE A 25 15.635 2.271 12.053 1.00 0.00 H new ATOM 0 HB ILE A 25 17.846 3.453 12.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.940 0.622 12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 19.213 1.713 11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 18.160 2.600 14.705 1.00 0.00 H new ATOM 0 HG22 ILE A 25 16.438 2.778 14.295 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.189 1.165 14.298 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.128 1.701 12.749 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.354 3.303 12.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.077 2.195 14.098 1.00 0.00 H new ATOM 393 N ASN A 26 16.207 1.643 9.325 1.00 0.00 N ATOM 394 CA ASN A 26 16.456 1.913 7.918 1.00 0.00 C ATOM 395 C ASN A 26 15.590 3.052 7.397 1.00 0.00 C ATOM 396 O ASN A 26 14.362 2.951 7.327 1.00 0.00 O ATOM 397 CB ASN A 26 16.257 0.659 7.056 1.00 0.00 C ATOM 398 CG ASN A 26 14.900 -0.001 7.221 1.00 0.00 C ATOM 399 OD1 ASN A 26 14.344 -0.059 8.319 1.00 0.00 O ATOM 400 ND2 ASN A 26 14.349 -0.489 6.121 1.00 0.00 N ATOM 0 H ASN A 26 15.513 0.917 9.503 1.00 0.00 H new ATOM 0 HA ASN A 26 17.499 2.219 7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 26 16.393 0.927 6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 26 17.033 -0.065 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.432 -0.933 6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.842 -0.421 5.231 1.00 0.00 H new ATOM 407 N GLU A 27 16.257 4.132 7.019 1.00 0.00 N ATOM 408 CA GLU A 27 15.600 5.312 6.469 1.00 0.00 C ATOM 409 C GLU A 27 15.006 5.020 5.091 1.00 0.00 C ATOM 410 O GLU A 27 14.130 5.744 4.622 1.00 0.00 O ATOM 411 CB GLU A 27 16.612 6.450 6.371 1.00 0.00 C ATOM 412 CG GLU A 27 17.841 6.085 5.554 1.00 0.00 C ATOM 413 CD GLU A 27 18.883 7.179 5.531 1.00 0.00 C ATOM 414 OE1 GLU A 27 18.655 8.206 4.863 1.00 0.00 O ATOM 415 OE2 GLU A 27 19.938 7.010 6.173 1.00 0.00 O ATOM 0 H GLU A 27 17.271 4.217 7.084 1.00 0.00 H new ATOM 0 HA GLU A 27 14.783 5.599 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.130 7.319 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.923 6.739 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.285 5.177 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.537 5.859 4.532 1.00 0.00 H new ATOM 422 N GLN A 28 15.498 3.951 4.467 1.00 0.00 N ATOM 423 CA GLN A 28 15.064 3.527 3.135 1.00 0.00 C ATOM 424 C GLN A 28 13.540 3.522 3.015 1.00 0.00 C ATOM 425 O GLN A 28 12.980 4.032 2.042 1.00 0.00 O ATOM 426 CB GLN A 28 15.631 2.134 2.848 1.00 0.00 C ATOM 427 CG GLN A 28 15.450 1.677 1.413 1.00 0.00 C ATOM 428 CD GLN A 28 14.086 1.074 1.143 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.458 0.506 2.038 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.625 1.173 -0.094 1.00 0.00 N ATOM 0 H GLN A 28 16.214 3.350 4.874 1.00 0.00 H new ATOM 0 HA GLN A 28 15.441 4.238 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.694 2.129 3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.151 1.414 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.602 2.526 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.218 0.942 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.176 1.652 -0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.719 0.771 -0.334 1.00 0.00 H new ATOM 439 N VAL A 29 12.878 2.971 4.024 1.00 0.00 N ATOM 440 CA VAL A 29 11.428 2.844 4.013 1.00 0.00 C ATOM 441 C VAL A 29 10.752 4.206 3.984 1.00 0.00 C ATOM 442 O VAL A 29 9.796 4.407 3.244 1.00 0.00 O ATOM 443 CB VAL A 29 10.933 2.041 5.230 1.00 0.00 C ATOM 444 CG1 VAL A 29 9.415 2.018 5.287 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.486 0.630 5.174 1.00 0.00 C ATOM 0 H VAL A 29 13.325 2.604 4.864 1.00 0.00 H new ATOM 0 HA VAL A 29 11.159 2.306 3.104 1.00 0.00 H new ATOM 0 HB VAL A 29 11.292 2.528 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.092 1.444 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.038 3.038 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.024 1.555 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.133 0.066 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.148 0.143 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.575 0.665 5.185 1.00 0.00 H new ATOM 455 N ASN A 30 11.281 5.143 4.766 1.00 0.00 N ATOM 456 CA ASN A 30 10.723 6.497 4.851 1.00 0.00 C ATOM 457 C ASN A 30 10.567 7.126 3.474 1.00 0.00 C ATOM 458 O ASN A 30 9.632 7.888 3.233 1.00 0.00 O ATOM 459 CB ASN A 30 11.601 7.401 5.725 1.00 0.00 C ATOM 460 CG ASN A 30 11.568 7.017 7.192 1.00 0.00 C ATOM 461 OD1 ASN A 30 10.734 7.503 7.955 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.484 6.152 7.601 1.00 0.00 N ATOM 0 H ASN A 30 12.100 4.992 5.355 1.00 0.00 H new ATOM 0 HA ASN A 30 9.737 6.405 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.629 7.357 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.270 8.434 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.515 5.867 8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.158 5.771 6.937 1.00 0.00 H new ATOM 469 N GLY A 31 11.468 6.783 2.566 1.00 0.00 N ATOM 470 CA GLY A 31 11.417 7.346 1.242 1.00 0.00 C ATOM 471 C GLY A 31 10.526 6.541 0.326 1.00 0.00 C ATOM 472 O GLY A 31 9.726 7.097 -0.425 1.00 0.00 O ATOM 0 H GLY A 31 12.231 6.125 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.051 8.371 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.423 7.388 0.826 1.00 0.00 H new ATOM 476 N ILE A 32 10.631 5.222 0.413 1.00 0.00 N ATOM 477 CA ILE A 32 9.917 4.364 -0.511 1.00 0.00 C ATOM 478 C ILE A 32 8.453 4.192 -0.120 1.00 0.00 C ATOM 479 O ILE A 32 7.640 3.875 -0.964 1.00 0.00 O ATOM 480 CB ILE A 32 10.606 2.988 -0.692 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.759 2.683 -2.190 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.856 1.865 0.021 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.450 2.603 -2.975 1.00 0.00 C ATOM 0 H ILE A 32 11.197 4.732 1.106 1.00 0.00 H new ATOM 0 HA ILE A 32 9.945 4.871 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 32 11.592 3.042 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.387 3.453 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.288 1.736 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.379 0.921 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.808 2.080 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.845 1.791 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.666 2.384 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.825 1.813 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.925 3.556 -2.905 1.00 0.00 H new ATOM 495 N VAL A 33 8.100 4.409 1.138 1.00 0.00 N ATOM 496 CA VAL A 33 6.691 4.379 1.505 1.00 0.00 C ATOM 497 C VAL A 33 6.020 5.651 0.992 1.00 0.00 C ATOM 498 O VAL A 33 4.842 5.655 0.638 1.00 0.00 O ATOM 499 CB VAL A 33 6.474 4.210 3.025 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.036 5.385 3.792 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.001 4.018 3.342 1.00 0.00 C ATOM 0 H VAL A 33 8.747 4.602 1.902 1.00 0.00 H new ATOM 0 HA VAL A 33 6.236 3.505 1.040 1.00 0.00 H new ATOM 0 HB VAL A 33 7.012 3.316 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.868 5.237 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.106 5.466 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.540 6.301 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.873 3.901 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.439 4.888 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.633 3.127 2.834 1.00 0.00 H new ATOM 511 N HIS A 34 6.805 6.721 0.910 1.00 0.00 N ATOM 512 CA HIS A 34 6.343 7.975 0.332 1.00 0.00 C ATOM 513 C HIS A 34 6.186 7.812 -1.179 1.00 0.00 C ATOM 514 O HIS A 34 5.286 8.389 -1.791 1.00 0.00 O ATOM 515 CB HIS A 34 7.332 9.106 0.660 1.00 0.00 C ATOM 516 CG HIS A 34 6.913 10.467 0.177 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.024 11.270 0.859 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.285 11.172 -0.918 1.00 0.00 C ATOM 519 CE1 HIS A 34 5.868 12.405 0.203 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.623 12.375 -0.879 1.00 0.00 N ATOM 0 H HIS A 34 7.770 6.742 1.239 1.00 0.00 H new ATOM 0 HA HIS A 34 5.375 8.237 0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.472 9.146 1.740 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.300 8.862 0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.976 10.848 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.229 13.222 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.702 13.120 -1.571 1.00 0.00 H new ATOM 529 N ALA A 35 7.068 7.010 -1.768 1.00 0.00 N ATOM 530 CA ALA A 35 7.012 6.727 -3.194 1.00 0.00 C ATOM 531 C ALA A 35 6.053 5.580 -3.494 1.00 0.00 C ATOM 532 O ALA A 35 5.564 5.449 -4.611 1.00 0.00 O ATOM 533 CB ALA A 35 8.403 6.410 -3.722 1.00 0.00 C ATOM 0 H ALA A 35 7.831 6.545 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 35 6.636 7.616 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.348 6.200 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.059 7.264 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.800 5.539 -3.201 1.00 0.00 H new ATOM 539 N ALA A 36 5.782 4.758 -2.487 1.00 0.00 N ATOM 540 CA ALA A 36 4.925 3.586 -2.641 1.00 0.00 C ATOM 541 C ALA A 36 3.502 3.992 -2.969 1.00 0.00 C ATOM 542 O ALA A 36 2.763 3.241 -3.600 1.00 0.00 O ATOM 543 CB ALA A 36 4.940 2.732 -1.384 1.00 0.00 C ATOM 0 H ALA A 36 6.148 4.883 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 36 5.320 2.998 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.294 1.866 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.958 2.397 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.579 3.320 -0.540 1.00 0.00 H new ATOM 549 N ALA A 37 3.128 5.188 -2.544 1.00 0.00 N ATOM 550 CA ALA A 37 1.824 5.724 -2.856 1.00 0.00 C ATOM 551 C ALA A 37 1.711 5.862 -4.359 1.00 0.00 C ATOM 552 O ALA A 37 0.719 5.474 -4.969 1.00 0.00 O ATOM 553 CB ALA A 37 1.630 7.070 -2.177 1.00 0.00 C ATOM 0 H ALA A 37 3.715 5.803 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 37 1.047 5.053 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.643 7.462 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.715 6.948 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.393 7.766 -2.525 1.00 0.00 H new ATOM 559 N ALA A 38 2.782 6.368 -4.953 1.00 0.00 N ATOM 560 CA ALA A 38 2.846 6.534 -6.385 1.00 0.00 C ATOM 561 C ALA A 38 3.129 5.204 -7.073 1.00 0.00 C ATOM 562 O ALA A 38 2.710 4.982 -8.206 1.00 0.00 O ATOM 563 CB ALA A 38 3.891 7.571 -6.758 1.00 0.00 C ATOM 0 H ALA A 38 3.620 6.670 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 38 1.876 6.891 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.924 7.681 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.633 8.528 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.868 7.250 -6.397 1.00 0.00 H new ATOM 569 N TYR A 39 3.842 4.325 -6.376 1.00 0.00 N ATOM 570 CA TYR A 39 4.139 2.991 -6.884 1.00 0.00 C ATOM 571 C TYR A 39 2.836 2.277 -7.246 1.00 0.00 C ATOM 572 O TYR A 39 2.713 1.674 -8.312 1.00 0.00 O ATOM 573 CB TYR A 39 4.905 2.180 -5.829 1.00 0.00 C ATOM 574 CG TYR A 39 5.682 0.997 -6.383 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.109 0.122 -7.298 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.990 0.757 -5.982 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.813 -0.954 -7.799 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.704 -0.318 -6.478 1.00 0.00 C ATOM 579 CZ TYR A 39 7.112 -1.172 -7.387 1.00 0.00 C ATOM 580 OH TYR A 39 7.819 -2.248 -7.880 1.00 0.00 O ATOM 0 H TYR A 39 4.227 4.515 -5.451 1.00 0.00 H new ATOM 0 HA TYR A 39 4.760 3.080 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.598 2.844 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.197 1.816 -5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.093 0.287 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.457 1.422 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.350 -1.622 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.721 -0.489 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 39 7.546 -3.063 -7.409 1.00 0.00 H new ATOM 590 N ILE A 40 1.857 2.385 -6.358 1.00 0.00 N ATOM 591 CA ILE A 40 0.596 1.689 -6.521 1.00 0.00 C ATOM 592 C ILE A 40 -0.359 2.452 -7.434 1.00 0.00 C ATOM 593 O ILE A 40 -1.082 1.850 -8.216 1.00 0.00 O ATOM 594 CB ILE A 40 -0.074 1.470 -5.157 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.865 0.708 -4.238 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.384 0.714 -5.308 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.513 0.870 -2.786 1.00 0.00 C ATOM 0 H ILE A 40 1.917 2.953 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 40 0.817 0.727 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.293 2.445 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.841 -0.350 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.886 1.053 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.838 0.572 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.062 1.285 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.193 -0.258 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.217 0.304 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.564 1.925 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.497 0.499 -2.613 1.00 0.00 H new ATOM 609 N GLU A 41 -0.363 3.773 -7.341 1.00 0.00 N ATOM 610 CA GLU A 41 -1.300 4.568 -8.126 1.00 0.00 C ATOM 611 C GLU A 41 -0.888 4.619 -9.597 1.00 0.00 C ATOM 612 O GLU A 41 -1.710 4.899 -10.467 1.00 0.00 O ATOM 613 CB GLU A 41 -1.441 5.979 -7.548 1.00 0.00 C ATOM 614 CG GLU A 41 -0.217 6.855 -7.727 1.00 0.00 C ATOM 615 CD GLU A 41 -0.418 8.247 -7.165 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.397 8.405 -5.928 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.595 9.192 -7.962 1.00 0.00 O ATOM 0 H GLU A 41 0.261 4.312 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.274 4.082 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.294 6.468 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.665 5.902 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.636 6.387 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.025 6.925 -8.788 1.00 0.00 H new ATOM 624 N GLU A 42 0.384 4.352 -9.877 1.00 0.00 N ATOM 625 CA GLU A 42 0.853 4.274 -11.256 1.00 0.00 C ATOM 626 C GLU A 42 0.631 2.876 -11.822 1.00 0.00 C ATOM 627 O GLU A 42 0.500 2.697 -13.033 1.00 0.00 O ATOM 628 CB GLU A 42 2.328 4.665 -11.358 1.00 0.00 C ATOM 629 CG GLU A 42 2.560 6.166 -11.276 1.00 0.00 C ATOM 630 CD GLU A 42 1.873 6.920 -12.398 1.00 0.00 C ATOM 631 OE1 GLU A 42 2.368 6.868 -13.545 1.00 0.00 O ATOM 632 OE2 GLU A 42 0.830 7.555 -12.149 1.00 0.00 O ATOM 0 H GLU A 42 1.104 4.187 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 42 0.273 4.983 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.883 4.174 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.731 4.293 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.195 6.535 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.631 6.368 -11.309 1.00 0.00 H new ATOM 639 N GLN A 43 0.585 1.887 -10.940 1.00 0.00 N ATOM 640 CA GLN A 43 0.255 0.523 -11.333 1.00 0.00 C ATOM 641 C GLN A 43 -0.957 0.043 -10.535 1.00 0.00 C ATOM 642 O GLN A 43 -0.860 -0.907 -9.756 1.00 0.00 O ATOM 643 CB GLN A 43 1.445 -0.402 -11.089 1.00 0.00 C ATOM 644 CG GLN A 43 2.741 0.111 -11.688 1.00 0.00 C ATOM 645 CD GLN A 43 3.840 -0.927 -11.679 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.583 -2.129 -11.777 1.00 0.00 O ATOM 647 NE2 GLN A 43 5.076 -0.473 -11.572 1.00 0.00 N ATOM 0 H GLN A 43 0.773 2.004 -9.944 1.00 0.00 H new ATOM 0 HA GLN A 43 0.017 0.505 -12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.578 -0.535 -10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.224 -1.384 -11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.560 0.433 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.071 0.988 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.246 0.530 -11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.860 -1.125 -11.568 1.00 0.00 H new ATOM 656 N PRO A 44 -2.120 0.693 -10.716 1.00 0.00 N ATOM 657 CA PRO A 44 -3.258 0.515 -9.836 1.00 0.00 C ATOM 658 C PRO A 44 -4.243 -0.544 -10.304 1.00 0.00 C ATOM 659 O PRO A 44 -4.128 -1.101 -11.397 1.00 0.00 O ATOM 660 CB PRO A 44 -3.910 1.888 -9.893 1.00 0.00 C ATOM 661 CG PRO A 44 -3.689 2.347 -11.298 1.00 0.00 C ATOM 662 CD PRO A 44 -2.437 1.650 -11.795 1.00 0.00 C ATOM 0 HA PRO A 44 -2.955 0.173 -8.846 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.972 1.833 -9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.458 2.573 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.545 2.098 -11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.570 3.430 -11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.611 1.142 -12.743 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.622 2.356 -11.957 1.00 0.00 H new ATOM 670 N PHE A 45 -5.213 -0.793 -9.449 1.00 0.00 N ATOM 671 CA PHE A 45 -6.313 -1.687 -9.734 1.00 0.00 C ATOM 672 C PHE A 45 -7.591 -0.861 -9.786 1.00 0.00 C ATOM 673 O PHE A 45 -7.704 0.134 -9.076 1.00 0.00 O ATOM 674 CB PHE A 45 -6.400 -2.779 -8.657 1.00 0.00 C ATOM 675 CG PHE A 45 -6.076 -2.294 -7.269 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.046 -1.699 -6.482 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.796 -2.438 -6.752 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.749 -1.255 -5.208 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.493 -1.994 -5.478 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.472 -1.403 -4.705 1.00 0.00 C ATOM 0 H PHE A 45 -5.259 -0.372 -8.521 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.163 -2.186 -10.692 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.406 -3.198 -8.659 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.717 -3.588 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.048 -1.580 -6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.027 -2.902 -7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.516 -0.792 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.492 -2.109 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.239 -1.057 -3.709 1.00 0.00 H new ATOM 690 N PRO A 46 -8.549 -1.249 -10.648 1.00 0.00 N ATOM 691 CA PRO A 46 -9.744 -0.438 -10.971 1.00 0.00 C ATOM 692 C PRO A 46 -10.545 0.040 -9.756 1.00 0.00 C ATOM 693 O PRO A 46 -11.375 0.940 -9.874 1.00 0.00 O ATOM 694 CB PRO A 46 -10.592 -1.387 -11.818 1.00 0.00 C ATOM 695 CG PRO A 46 -9.610 -2.317 -12.428 1.00 0.00 C ATOM 696 CD PRO A 46 -8.547 -2.524 -11.389 1.00 0.00 C ATOM 0 HA PRO A 46 -9.452 0.488 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.319 -1.922 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.153 -0.846 -12.580 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.082 -3.262 -12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.188 -1.897 -13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.778 -3.368 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.576 -2.726 -11.841 1.00 0.00 H new ATOM 704 N GLY A 47 -10.295 -0.555 -8.599 1.00 0.00 N ATOM 705 CA GLY A 47 -11.012 -0.177 -7.399 1.00 0.00 C ATOM 706 C GLY A 47 -10.130 0.562 -6.418 1.00 0.00 C ATOM 707 O GLY A 47 -10.417 0.613 -5.229 1.00 0.00 O ATOM 0 H GLY A 47 -9.606 -1.296 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.861 0.452 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.415 -1.070 -6.922 1.00 0.00 H new ATOM 711 N PHE A 48 -9.035 1.110 -6.915 1.00 0.00 N ATOM 712 CA PHE A 48 -8.120 1.898 -6.099 1.00 0.00 C ATOM 713 C PHE A 48 -8.821 3.136 -5.540 1.00 0.00 C ATOM 714 O PHE A 48 -9.499 3.866 -6.269 1.00 0.00 O ATOM 715 CB PHE A 48 -6.907 2.298 -6.949 1.00 0.00 C ATOM 716 CG PHE A 48 -5.824 3.024 -6.206 1.00 0.00 C ATOM 717 CD1 PHE A 48 -6.057 4.270 -5.665 1.00 0.00 C ATOM 718 CD2 PHE A 48 -4.570 2.465 -6.066 1.00 0.00 C ATOM 719 CE1 PHE A 48 -5.069 4.946 -4.998 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.570 3.140 -5.395 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.823 4.384 -4.860 1.00 0.00 C ATOM 0 H PHE A 48 -8.753 1.023 -7.892 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.785 1.298 -5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.482 1.399 -7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.249 2.928 -7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.033 4.721 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.369 1.490 -6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.270 5.921 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.592 2.694 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.044 4.916 -4.334 1.00 0.00 H new ATOM 731 N ILE A 49 -8.645 3.359 -4.244 1.00 0.00 N ATOM 732 CA ILE A 49 -9.181 4.534 -3.577 1.00 0.00 C ATOM 733 C ILE A 49 -8.048 5.484 -3.192 1.00 0.00 C ATOM 734 O ILE A 49 -7.975 6.606 -3.694 1.00 0.00 O ATOM 735 CB ILE A 49 -9.982 4.142 -2.318 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.260 3.396 -2.709 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.310 5.364 -1.476 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.258 4.236 -3.478 1.00 0.00 C ATOM 0 H ILE A 49 -8.128 2.731 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.855 5.036 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.363 3.477 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.991 2.529 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.739 3.020 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.875 5.058 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.385 5.849 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.905 6.062 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.134 3.633 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.559 5.090 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.800 4.591 -4.401 1.00 0.00 H new ATOM 750 N GLU A 50 -7.152 5.023 -2.318 1.00 0.00 N ATOM 751 CA GLU A 50 -6.005 5.829 -1.887 1.00 0.00 C ATOM 752 C GLU A 50 -4.871 4.933 -1.433 1.00 0.00 C ATOM 753 O GLU A 50 -5.005 3.714 -1.361 1.00 0.00 O ATOM 754 CB GLU A 50 -6.302 6.746 -0.689 1.00 0.00 C ATOM 755 CG GLU A 50 -7.729 7.161 -0.485 1.00 0.00 C ATOM 756 CD GLU A 50 -7.840 8.470 0.268 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.569 9.535 -0.336 1.00 0.00 O ATOM 758 OE2 GLU A 50 -8.197 8.451 1.463 1.00 0.00 O ATOM 0 H GLU A 50 -7.197 4.096 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.753 6.434 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.964 6.241 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.699 7.648 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.220 7.258 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.258 6.382 0.064 1.00 0.00 H new ATOM 765 N CYS A 51 -3.765 5.567 -1.109 1.00 0.00 N ATOM 766 CA CYS A 51 -2.722 4.948 -0.330 1.00 0.00 C ATOM 767 C CYS A 51 -1.831 6.035 0.249 1.00 0.00 C ATOM 768 O CYS A 51 -1.244 6.826 -0.486 1.00 0.00 O ATOM 769 CB CYS A 51 -1.904 3.960 -1.157 1.00 0.00 C ATOM 770 SG CYS A 51 -1.318 4.619 -2.734 1.00 0.00 S ATOM 0 H CYS A 51 -3.566 6.530 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.180 4.376 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.045 3.636 -0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.511 3.075 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.965 4.052 -3.709 1.00 0.00 H new ATOM 776 N ILE A 52 -1.752 6.092 1.564 1.00 0.00 N ATOM 777 CA ILE A 52 -1.041 7.169 2.227 1.00 0.00 C ATOM 778 C ILE A 52 0.184 6.667 2.979 1.00 0.00 C ATOM 779 O ILE A 52 0.125 5.656 3.689 1.00 0.00 O ATOM 780 CB ILE A 52 -1.969 7.949 3.178 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.831 6.989 4.001 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.837 8.901 2.373 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.598 7.662 5.120 1.00 0.00 C ATOM 0 H ILE A 52 -2.170 5.407 2.194 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.697 7.846 1.445 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.361 8.528 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.538 6.490 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.192 6.215 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.493 9.452 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.202 9.602 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.439 8.333 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.185 6.918 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.898 8.137 5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.264 8.417 4.702 1.00 0.00 H new ATOM 795 N PRO A 53 1.317 7.366 2.814 1.00 0.00 N ATOM 796 CA PRO A 53 2.578 7.004 3.444 1.00 0.00 C ATOM 797 C PRO A 53 2.668 7.494 4.881 1.00 0.00 C ATOM 798 O PRO A 53 2.609 8.696 5.143 1.00 0.00 O ATOM 799 CB PRO A 53 3.635 7.718 2.586 1.00 0.00 C ATOM 800 CG PRO A 53 2.887 8.480 1.533 1.00 0.00 C ATOM 801 CD PRO A 53 1.463 8.570 1.991 1.00 0.00 C ATOM 0 HA PRO A 53 2.703 5.922 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.239 8.390 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.317 6.999 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.313 9.474 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.952 7.973 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.278 9.478 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.767 8.575 1.152 1.00 0.00 H new ATOM 809 N ALA A 54 2.837 6.565 5.806 1.00 0.00 N ATOM 810 CA ALA A 54 2.978 6.910 7.211 1.00 0.00 C ATOM 811 C ALA A 54 4.428 6.755 7.651 1.00 0.00 C ATOM 812 O ALA A 54 4.707 6.367 8.785 1.00 0.00 O ATOM 813 CB ALA A 54 2.053 6.058 8.067 1.00 0.00 C ATOM 0 H ALA A 54 2.880 5.565 5.610 1.00 0.00 H new ATOM 0 HA ALA A 54 2.692 7.953 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.173 6.331 9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.019 6.226 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.303 5.005 7.935 1.00 0.00 H new ATOM 819 N PHE A 55 5.341 7.027 6.715 1.00 0.00 N ATOM 820 CA PHE A 55 6.790 7.036 6.963 1.00 0.00 C ATOM 821 C PHE A 55 7.370 5.636 7.187 1.00 0.00 C ATOM 822 O PHE A 55 8.503 5.364 6.799 1.00 0.00 O ATOM 823 CB PHE A 55 7.143 7.968 8.121 1.00 0.00 C ATOM 824 CG PHE A 55 6.891 9.417 7.805 1.00 0.00 C ATOM 825 CD1 PHE A 55 7.856 10.174 7.161 1.00 0.00 C ATOM 826 CD2 PHE A 55 5.687 10.015 8.140 1.00 0.00 C ATOM 827 CE1 PHE A 55 7.625 11.503 6.858 1.00 0.00 C ATOM 828 CE2 PHE A 55 5.450 11.343 7.838 1.00 0.00 C ATOM 829 CZ PHE A 55 6.420 12.088 7.197 1.00 0.00 C ATOM 0 H PHE A 55 5.094 7.250 5.751 1.00 0.00 H new ATOM 0 HA PHE A 55 7.254 7.419 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.560 7.686 8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.193 7.835 8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.799 9.721 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.925 9.437 8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.386 12.083 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.507 11.798 8.103 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.237 13.126 6.961 1.00 0.00 H new ATOM 839 N THR A 56 6.616 4.750 7.813 1.00 0.00 N ATOM 840 CA THR A 56 7.063 3.376 7.977 1.00 0.00 C ATOM 841 C THR A 56 5.996 2.388 7.509 1.00 0.00 C ATOM 842 O THR A 56 6.300 1.240 7.187 1.00 0.00 O ATOM 843 CB THR A 56 7.450 3.072 9.444 1.00 0.00 C ATOM 844 OG1 THR A 56 7.957 1.735 9.553 1.00 0.00 O ATOM 845 CG2 THR A 56 6.260 3.246 10.380 1.00 0.00 C ATOM 0 H THR A 56 5.700 4.953 8.213 1.00 0.00 H new ATOM 0 HA THR A 56 7.951 3.257 7.356 1.00 0.00 H new ATOM 0 HB THR A 56 8.223 3.782 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.201 1.552 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.566 3.025 11.403 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.900 4.273 10.323 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.462 2.565 10.085 1.00 0.00 H new ATOM 853 N SER A 57 4.754 2.841 7.461 1.00 0.00 N ATOM 854 CA SER A 57 3.651 2.001 7.035 1.00 0.00 C ATOM 855 C SER A 57 2.900 2.649 5.884 1.00 0.00 C ATOM 856 O SER A 57 2.733 3.866 5.839 1.00 0.00 O ATOM 857 CB SER A 57 2.715 1.740 8.217 1.00 0.00 C ATOM 858 OG SER A 57 2.444 2.939 8.924 1.00 0.00 O ATOM 0 H SER A 57 4.485 3.792 7.714 1.00 0.00 H new ATOM 0 HA SER A 57 4.045 1.048 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.782 1.306 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.167 1.011 8.890 1.00 0.00 H new ATOM 0 HG SER A 57 1.843 2.748 9.674 1.00 0.00 H new ATOM 864 N LEU A 58 2.484 1.832 4.940 1.00 0.00 N ATOM 865 CA LEU A 58 1.710 2.295 3.810 1.00 0.00 C ATOM 866 C LEU A 58 0.251 1.939 4.029 1.00 0.00 C ATOM 867 O LEU A 58 -0.116 0.763 4.046 1.00 0.00 O ATOM 868 CB LEU A 58 2.234 1.654 2.528 1.00 0.00 C ATOM 869 CG LEU A 58 1.557 2.103 1.234 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.768 3.592 0.993 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.095 1.290 0.071 1.00 0.00 C ATOM 0 H LEU A 58 2.673 0.830 4.935 1.00 0.00 H new ATOM 0 HA LEU A 58 1.802 3.377 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.301 1.864 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.127 0.573 2.615 1.00 0.00 H new ATOM 0 HG LEU A 58 0.484 1.933 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.276 3.884 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.345 4.158 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.835 3.801 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.612 1.611 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.171 1.441 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.889 0.233 0.240 1.00 0.00 H new ATOM 883 N THR A 59 -0.566 2.950 4.227 1.00 0.00 N ATOM 884 CA THR A 59 -1.977 2.748 4.475 1.00 0.00 C ATOM 885 C THR A 59 -2.728 2.754 3.146 1.00 0.00 C ATOM 886 O THR A 59 -2.917 3.804 2.534 1.00 0.00 O ATOM 887 CB THR A 59 -2.509 3.869 5.382 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.574 4.113 6.442 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.857 3.504 5.973 1.00 0.00 C ATOM 0 H THR A 59 -0.275 3.927 4.221 1.00 0.00 H new ATOM 0 HA THR A 59 -2.128 1.789 4.971 1.00 0.00 H new ATOM 0 HB THR A 59 -2.632 4.767 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.913 4.829 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.207 4.316 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.574 3.338 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.760 2.594 6.566 1.00 0.00 H new ATOM 897 N VAL A 60 -3.144 1.582 2.701 1.00 0.00 N ATOM 898 CA VAL A 60 -3.736 1.424 1.383 1.00 0.00 C ATOM 899 C VAL A 60 -5.253 1.337 1.470 1.00 0.00 C ATOM 900 O VAL A 60 -5.802 0.510 2.200 1.00 0.00 O ATOM 901 CB VAL A 60 -3.175 0.164 0.685 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.757 -0.015 -0.706 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.659 0.237 0.628 1.00 0.00 C ATOM 0 H VAL A 60 -3.082 0.717 3.238 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.475 2.303 0.793 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.469 -0.706 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.338 -0.911 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.840 -0.115 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.511 0.853 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.270 -0.654 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.358 1.122 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.259 0.295 1.640 1.00 0.00 H new ATOM 913 N PHE A 61 -5.923 2.202 0.731 1.00 0.00 N ATOM 914 CA PHE A 61 -7.374 2.230 0.707 1.00 0.00 C ATOM 915 C PHE A 61 -7.868 1.851 -0.677 1.00 0.00 C ATOM 916 O PHE A 61 -7.247 2.194 -1.685 1.00 0.00 O ATOM 917 CB PHE A 61 -7.892 3.614 1.067 1.00 0.00 C ATOM 918 CG PHE A 61 -7.576 4.052 2.467 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.360 4.641 2.762 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.505 3.892 3.481 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.074 5.062 4.045 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.224 4.307 4.769 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.006 4.896 5.051 1.00 0.00 C ATOM 0 H PHE A 61 -5.480 2.901 0.134 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.746 1.516 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.471 4.338 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.973 3.630 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.627 4.773 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.460 3.438 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.121 5.521 4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.954 4.171 5.553 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.783 5.226 6.055 1.00 0.00 H new ATOM 933 N TYR A 62 -8.993 1.177 -0.735 1.00 0.00 N ATOM 934 CA TYR A 62 -9.496 0.654 -1.990 1.00 0.00 C ATOM 935 C TYR A 62 -10.950 0.249 -1.857 1.00 0.00 C ATOM 936 O TYR A 62 -11.502 0.194 -0.758 1.00 0.00 O ATOM 937 CB TYR A 62 -8.653 -0.536 -2.451 1.00 0.00 C ATOM 938 CG TYR A 62 -8.294 -1.480 -1.334 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.268 -2.230 -0.698 1.00 0.00 C ATOM 940 CD2 TYR A 62 -6.983 -1.603 -0.900 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.948 -3.077 0.331 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.659 -2.456 0.133 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.651 -3.187 0.742 1.00 0.00 C ATOM 944 OH TYR A 62 -7.351 -4.037 1.768 1.00 0.00 O ATOM 0 H TYR A 62 -9.581 0.976 0.074 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.425 1.442 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.199 -1.084 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.738 -0.167 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.296 -2.147 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.206 -1.024 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.720 -3.656 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.634 -2.549 0.461 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.031 -3.956 2.469 1.00 0.00 H new ATOM 954 N ASP A 63 -11.556 -0.025 -2.990 1.00 0.00 N ATOM 955 CA ASP A 63 -12.956 -0.357 -3.051 1.00 0.00 C ATOM 956 C ASP A 63 -13.121 -1.862 -3.074 1.00 0.00 C ATOM 957 O ASP A 63 -12.647 -2.541 -3.989 1.00 0.00 O ATOM 958 CB ASP A 63 -13.577 0.261 -4.296 1.00 0.00 C ATOM 959 CG ASP A 63 -15.022 0.642 -4.069 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.803 -0.213 -3.601 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.386 1.801 -4.361 1.00 0.00 O ATOM 0 H ASP A 63 -11.088 -0.023 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.462 0.041 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.009 1.145 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.512 -0.445 -5.124 1.00 0.00 H new ATOM 966 N MET A 64 -13.797 -2.380 -2.067 1.00 0.00 N ATOM 967 CA MET A 64 -13.900 -3.817 -1.878 1.00 0.00 C ATOM 968 C MET A 64 -14.760 -4.447 -2.968 1.00 0.00 C ATOM 969 O MET A 64 -14.625 -5.629 -3.260 1.00 0.00 O ATOM 970 CB MET A 64 -14.451 -4.150 -0.480 1.00 0.00 C ATOM 971 CG MET A 64 -15.972 -4.207 -0.381 1.00 0.00 C ATOM 972 SD MET A 64 -16.786 -2.677 -0.897 1.00 0.00 S ATOM 973 CE MET A 64 -16.175 -1.518 0.320 1.00 0.00 C ATOM 0 H MET A 64 -14.286 -1.826 -1.364 1.00 0.00 H new ATOM 0 HA MET A 64 -12.898 -4.240 -1.953 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.046 -5.112 -0.166 1.00 0.00 H new ATOM 0 HB3 MET A 64 -14.084 -3.404 0.225 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.338 -5.029 -0.996 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.253 -4.430 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.014 -0.992 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.623 -2.057 1.090 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.515 -0.798 -0.163 1.00 0.00 H new ATOM 983 N TYR A 65 -15.624 -3.648 -3.586 1.00 0.00 N ATOM 984 CA TYR A 65 -16.509 -4.154 -4.632 1.00 0.00 C ATOM 985 C TYR A 65 -15.713 -4.608 -5.856 1.00 0.00 C ATOM 986 O TYR A 65 -16.119 -5.525 -6.567 1.00 0.00 O ATOM 987 CB TYR A 65 -17.552 -3.092 -5.030 1.00 0.00 C ATOM 988 CG TYR A 65 -17.250 -2.336 -6.314 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.312 -1.312 -6.345 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.913 -2.646 -7.496 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.044 -0.622 -7.511 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.649 -1.962 -8.665 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.714 -0.951 -8.666 1.00 0.00 C ATOM 994 OH TYR A 65 -16.448 -0.267 -9.830 1.00 0.00 O ATOM 0 H TYR A 65 -15.731 -2.654 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.036 -5.020 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.521 -3.579 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.643 -2.372 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.783 -1.051 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.648 -3.437 -7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.312 0.172 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.173 -2.218 -9.574 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.744 -0.732 -10.329 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.558 -3.993 -6.079 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.796 -4.252 -7.287 1.00 0.00 C ATOM 1006 C GLU A 66 -12.845 -5.400 -7.046 1.00 0.00 C ATOM 1007 O GLU A 66 -12.523 -6.174 -7.946 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.022 -3.008 -7.711 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.435 -3.107 -9.108 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.487 -3.405 -10.156 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -14.377 -2.562 -10.370 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.434 -4.487 -10.772 1.00 0.00 O ATOM 0 H GLU A 66 -14.134 -3.318 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.485 -4.515 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.685 -2.144 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.216 -2.831 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.934 -2.171 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.676 -3.889 -9.126 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.404 -5.512 -5.813 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.532 -6.597 -5.429 1.00 0.00 C ATOM 1021 C VAL A 67 -12.355 -7.867 -5.251 1.00 0.00 C ATOM 1022 O VAL A 67 -11.895 -8.960 -5.563 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.738 -6.253 -4.150 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.183 -4.842 -4.261 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.588 -6.393 -2.896 1.00 0.00 C ATOM 0 H VAL A 67 -12.635 -4.864 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.799 -6.761 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.917 -6.964 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.623 -4.599 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.523 -4.778 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.005 -4.136 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.989 -6.141 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.442 -5.718 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.943 -7.420 -2.810 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.592 -7.694 -4.779 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.549 -8.787 -4.647 1.00 0.00 C ATOM 1037 C TYR A 68 -14.972 -9.284 -6.019 1.00 0.00 C ATOM 1038 O TYR A 68 -15.422 -10.422 -6.165 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.776 -8.338 -3.844 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.719 -9.459 -3.472 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.380 -10.371 -2.481 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.947 -9.600 -4.103 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.239 -11.392 -2.129 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.810 -10.620 -3.756 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.451 -11.513 -2.770 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.311 -12.526 -2.421 1.00 0.00 O ATOM 0 H TYR A 68 -13.955 -6.790 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.066 -9.604 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.439 -7.845 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.324 -7.595 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.429 -10.280 -1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.231 -8.902 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.962 -12.092 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.763 -10.718 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.122 -12.469 -2.968 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.827 -8.420 -7.026 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.045 -8.821 -8.411 1.00 0.00 C ATOM 1058 C LYS A 69 -14.143 -9.993 -8.712 1.00 0.00 C ATOM 1059 O LYS A 69 -14.515 -10.937 -9.403 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.694 -7.690 -9.372 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.664 -7.533 -10.532 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.973 -6.900 -10.088 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.769 -5.466 -9.617 1.00 0.00 C ATOM 1064 NZ LYS A 69 -16.237 -4.592 -10.699 1.00 0.00 N ATOM 0 H LYS A 69 -14.561 -7.443 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.096 -9.079 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.657 -6.754 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.694 -7.864 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.207 -6.919 -11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.863 -8.509 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.684 -6.915 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.409 -7.490 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.717 -5.064 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.080 -5.457 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.177 -3.612 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.290 -4.920 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.872 -4.632 -11.522 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.941 -9.912 -8.169 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.984 -10.973 -8.302 1.00 0.00 C ATOM 1080 C HIS A 70 -12.189 -11.984 -7.180 1.00 0.00 C ATOM 1081 O HIS A 70 -12.776 -13.040 -7.410 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.551 -10.422 -8.301 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.231 -9.593 -9.509 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.497 -8.424 -9.463 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -10.557 -9.774 -10.811 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -9.390 -7.925 -10.680 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -10.023 -8.726 -11.516 1.00 0.00 N ATOM 0 H HIS A 70 -12.612 -9.112 -7.629 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.136 -11.474 -9.258 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.402 -9.819 -7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.850 -11.254 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.131 -10.593 -11.219 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.872 -7.015 -10.946 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.102 -8.588 -12.524 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.761 -11.608 -5.964 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.839 -12.462 -4.769 1.00 0.00 C ATOM 1098 C LEU A 71 -11.680 -13.943 -5.124 1.00 0.00 C ATOM 1099 O LEU A 71 -12.628 -14.727 -4.996 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.162 -12.227 -4.030 1.00 0.00 C ATOM 1101 CG LEU A 71 -13.057 -11.569 -2.642 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.366 -12.477 -1.636 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.326 -10.244 -2.725 1.00 0.00 C ATOM 0 H LEU A 71 -11.347 -10.694 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.014 -12.189 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.799 -11.604 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.667 -13.187 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.076 -11.393 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.312 -11.975 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.932 -13.403 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.358 -12.704 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.265 -9.799 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.320 -10.407 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.866 -9.571 -3.391 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.481 -14.341 -5.587 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.231 -15.707 -6.049 1.00 0.00 C ATOM 1117 C PRO A 72 -10.465 -16.717 -4.941 1.00 0.00 C ATOM 1118 O PRO A 72 -10.053 -16.500 -3.805 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.752 -15.694 -6.456 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.414 -14.254 -6.639 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.272 -13.508 -5.662 1.00 0.00 C ATOM 0 HA PRO A 72 -10.897 -15.995 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.128 -16.151 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.591 -16.257 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.356 -14.073 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.614 -13.932 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.787 -13.410 -4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.497 -12.499 -6.009 1.00 0.00 H new ATOM 1129 N GLN A 73 -11.143 -17.806 -5.267 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.448 -18.835 -4.287 1.00 0.00 C ATOM 1131 C GLN A 73 -10.174 -19.395 -3.671 1.00 0.00 C ATOM 1132 O GLN A 73 -9.399 -20.107 -4.312 1.00 0.00 O ATOM 1133 CB GLN A 73 -12.302 -19.933 -4.906 1.00 0.00 C ATOM 1134 CG GLN A 73 -13.706 -19.460 -5.247 1.00 0.00 C ATOM 1135 CD GLN A 73 -14.442 -18.917 -4.036 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -15.100 -19.659 -3.312 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -14.342 -17.617 -3.813 1.00 0.00 N ATOM 0 H GLN A 73 -11.493 -18.000 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.027 -18.381 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.816 -20.299 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.364 -20.773 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.650 -18.686 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.273 -20.288 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.785 -17.034 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.821 -17.198 -3.016 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.986 -19.050 -2.413 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.743 -19.287 -1.721 1.00 0.00 C ATOM 1148 C GLY A 74 -8.394 -18.055 -0.927 1.00 0.00 C ATOM 1149 O GLY A 74 -7.776 -18.122 0.134 1.00 0.00 O ATOM 0 H GLY A 74 -10.698 -18.595 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.836 -20.149 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.950 -19.515 -2.434 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.806 -16.923 -1.478 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.773 -15.650 -0.798 1.00 0.00 C ATOM 1155 C ILE A 75 -10.031 -15.512 0.042 1.00 0.00 C ATOM 1156 O ILE A 75 -11.143 -15.488 -0.485 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.717 -14.507 -1.824 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.528 -14.702 -2.770 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.644 -13.163 -1.126 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.186 -14.384 -2.149 1.00 0.00 C ATOM 0 H ILE A 75 -9.178 -16.869 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.889 -15.599 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.632 -14.525 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.520 -15.735 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.669 -14.071 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.605 -12.368 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.526 -13.030 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.749 -13.123 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.397 -14.547 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.172 -13.343 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.020 -15.032 -1.289 1.00 0.00 H new ATOM 1172 N SER A 76 -9.854 -15.437 1.340 1.00 0.00 N ATOM 1173 CA SER A 76 -10.974 -15.405 2.256 1.00 0.00 C ATOM 1174 C SER A 76 -11.337 -13.970 2.613 1.00 0.00 C ATOM 1175 O SER A 76 -12.321 -13.716 3.305 1.00 0.00 O ATOM 1176 CB SER A 76 -10.603 -16.180 3.513 1.00 0.00 C ATOM 1177 OG SER A 76 -10.143 -17.481 3.182 1.00 0.00 O ATOM 0 H SER A 76 -8.939 -15.397 1.790 1.00 0.00 H new ATOM 0 HA SER A 76 -11.841 -15.863 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.829 -15.644 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.469 -16.251 4.171 1.00 0.00 H new ATOM 0 HG SER A 76 -9.908 -17.963 4.002 1.00 0.00 H new ATOM 1183 N SER A 77 -10.542 -13.035 2.119 1.00 0.00 N ATOM 1184 CA SER A 77 -10.651 -11.649 2.533 1.00 0.00 C ATOM 1185 C SER A 77 -10.443 -10.678 1.367 1.00 0.00 C ATOM 1186 O SER A 77 -9.528 -10.840 0.569 1.00 0.00 O ATOM 1187 CB SER A 77 -9.598 -11.394 3.601 1.00 0.00 C ATOM 1188 OG SER A 77 -9.796 -12.227 4.736 1.00 0.00 O ATOM 0 H SER A 77 -9.812 -13.213 1.429 1.00 0.00 H new ATOM 0 HA SER A 77 -11.657 -11.478 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.606 -11.573 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.633 -10.348 3.905 1.00 0.00 H new ATOM 0 HG SER A 77 -9.103 -12.041 5.403 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.312 -9.658 1.258 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.162 -8.564 0.287 1.00 0.00 C ATOM 1196 C PRO A 78 -9.787 -7.902 0.336 1.00 0.00 C ATOM 1197 O PRO A 78 -9.191 -7.619 -0.697 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.240 -7.571 0.711 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.287 -8.415 1.344 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.548 -9.520 2.045 1.00 0.00 C ATOM 0 HA PRO A 78 -11.259 -8.923 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.848 -6.832 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.634 -7.022 -0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.885 -7.836 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.973 -8.815 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.337 -9.266 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.124 -10.445 2.054 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.287 -7.645 1.538 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.948 -7.087 1.696 1.00 0.00 C ATOM 1210 C PHE A 79 -6.886 -8.094 1.254 1.00 0.00 C ATOM 1211 O PHE A 79 -5.782 -7.724 0.865 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.730 -6.657 3.152 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.954 -7.620 4.007 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.567 -8.720 4.583 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.608 -7.406 4.246 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.849 -9.591 5.381 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.886 -8.268 5.040 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.505 -9.365 5.609 1.00 0.00 C ATOM 0 H PHE A 79 -9.784 -7.812 2.413 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.855 -6.208 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.212 -5.698 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.704 -6.494 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.617 -8.899 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.117 -6.551 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.337 -10.446 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.836 -8.087 5.218 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.940 -10.044 6.230 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.251 -9.365 1.281 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.318 -10.442 0.999 1.00 0.00 C ATOM 1230 C GLU A 80 -6.143 -10.640 -0.505 1.00 0.00 C ATOM 1231 O GLU A 80 -5.140 -11.193 -0.954 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.813 -11.722 1.673 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.909 -12.923 1.496 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.330 -14.070 2.384 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.367 -14.704 2.093 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.639 -14.319 3.393 1.00 0.00 O ATOM 0 H GLU A 80 -8.197 -9.678 1.498 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.339 -10.183 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.935 -11.531 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.799 -11.966 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.927 -13.243 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.881 -12.643 1.725 1.00 0.00 H new ATOM 1243 N SER A 81 -7.105 -10.167 -1.288 1.00 0.00 N ATOM 1244 CA SER A 81 -6.995 -10.251 -2.734 1.00 0.00 C ATOM 1245 C SER A 81 -6.136 -9.104 -3.237 1.00 0.00 C ATOM 1246 O SER A 81 -5.313 -9.268 -4.136 1.00 0.00 O ATOM 1247 CB SER A 81 -8.379 -10.230 -3.389 1.00 0.00 C ATOM 1248 OG SER A 81 -9.111 -9.076 -3.019 1.00 0.00 O ATOM 0 H SER A 81 -7.960 -9.726 -0.948 1.00 0.00 H new ATOM 0 HA SER A 81 -6.522 -11.195 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.270 -10.261 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.934 -11.122 -3.099 1.00 0.00 H new ATOM 0 HG SER A 81 -8.774 -8.735 -2.164 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.303 -7.955 -2.594 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.527 -6.763 -2.910 1.00 0.00 C ATOM 1256 C VAL A 82 -4.059 -7.000 -2.607 1.00 0.00 C ATOM 1257 O VAL A 82 -3.177 -6.365 -3.191 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.002 -5.564 -2.081 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.300 -4.291 -2.529 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.510 -5.418 -2.166 1.00 0.00 C ATOM 0 H VAL A 82 -6.978 -7.824 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.665 -6.550 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.742 -5.741 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.651 -3.452 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.224 -4.405 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.522 -4.104 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.827 -4.561 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.803 -5.266 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.985 -6.321 -1.783 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.809 -7.914 -1.674 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.457 -8.326 -1.350 1.00 0.00 C ATOM 1272 C LYS A 83 -1.728 -8.678 -2.625 1.00 0.00 C ATOM 1273 O LYS A 83 -0.611 -8.254 -2.859 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.465 -9.570 -0.474 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.952 -9.387 0.947 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.747 -10.694 1.705 1.00 0.00 C ATOM 1277 CE LYS A 83 -3.220 -10.644 3.144 1.00 0.00 C ATOM 1278 NZ LYS A 83 -3.219 -12.008 3.756 1.00 0.00 N ATOM 0 H LYS A 83 -4.533 -8.383 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.970 -7.505 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.089 -10.323 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.452 -9.970 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.406 -8.579 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.006 -9.108 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.277 -11.492 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.688 -10.951 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.573 -9.982 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.225 -10.223 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.154 -12.205 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.006 -12.716 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.497 -12.053 4.503 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.413 -9.422 -3.466 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.817 -9.971 -4.666 1.00 0.00 C ATOM 1294 C ARG A 84 -1.524 -8.858 -5.658 1.00 0.00 C ATOM 1295 O ARG A 84 -0.514 -8.888 -6.354 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.752 -11.016 -5.270 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.335 -11.957 -4.225 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.238 -12.683 -3.456 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.769 -13.555 -2.406 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.342 -13.551 -1.142 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -1.345 -12.753 -0.771 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.887 -14.372 -0.254 1.00 0.00 N ATOM 0 H ARG A 84 -3.396 -9.663 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.873 -10.456 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.565 -10.512 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.208 -11.598 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.955 -11.391 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.984 -12.686 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.645 -13.277 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.566 -11.950 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.512 -14.207 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.902 -12.139 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.023 -12.755 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.633 -15.007 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.560 -14.368 0.712 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.400 -7.858 -5.679 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.238 -6.699 -6.539 1.00 0.00 C ATOM 1318 C ASP A 85 -0.970 -5.936 -6.186 1.00 0.00 C ATOM 1319 O ASP A 85 -0.243 -5.481 -7.064 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.446 -5.760 -6.419 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.729 -6.363 -6.957 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -5.444 -7.032 -6.185 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.033 -6.157 -8.153 1.00 0.00 O ATOM 0 H ASP A 85 -3.239 -7.832 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.164 -7.058 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.589 -5.495 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.234 -4.836 -6.956 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.709 -5.786 -4.897 1.00 0.00 N ATOM 1329 CA VAL A 86 0.454 -5.037 -4.453 1.00 0.00 C ATOM 1330 C VAL A 86 1.702 -5.920 -4.357 1.00 0.00 C ATOM 1331 O VAL A 86 2.772 -5.521 -4.805 1.00 0.00 O ATOM 1332 CB VAL A 86 0.192 -4.296 -3.117 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.914 -3.274 -3.301 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.159 -5.252 -1.985 1.00 0.00 C ATOM 0 H VAL A 86 -1.282 -6.170 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 86 0.645 -4.281 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 86 1.116 -3.791 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.093 -2.757 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.618 -2.551 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.827 -3.779 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.333 -4.685 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.060 -5.808 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.665 -5.948 -1.828 1.00 0.00 H new ATOM 1344 N GLU A 87 1.555 -7.127 -3.816 1.00 0.00 N ATOM 1345 CA GLU A 87 2.683 -8.041 -3.617 1.00 0.00 C ATOM 1346 C GLU A 87 3.343 -8.451 -4.927 1.00 0.00 C ATOM 1347 O GLU A 87 4.542 -8.682 -4.968 1.00 0.00 O ATOM 1348 CB GLU A 87 2.242 -9.300 -2.874 1.00 0.00 C ATOM 1349 CG GLU A 87 1.876 -9.066 -1.411 1.00 0.00 C ATOM 1350 CD GLU A 87 3.054 -8.597 -0.577 1.00 0.00 C ATOM 1351 OE1 GLU A 87 3.518 -7.458 -0.789 1.00 0.00 O ATOM 1352 OE2 GLU A 87 3.519 -9.371 0.290 1.00 0.00 O ATOM 0 H GLU A 87 0.658 -7.500 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 87 3.413 -7.492 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.382 -9.729 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.043 -10.037 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.079 -8.324 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.482 -9.990 -0.988 1.00 0.00 H new ATOM 1359 N GLU A 88 2.574 -8.575 -5.996 1.00 0.00 N ATOM 1360 CA GLU A 88 3.175 -8.890 -7.291 1.00 0.00 C ATOM 1361 C GLU A 88 4.190 -7.815 -7.689 1.00 0.00 C ATOM 1362 O GLU A 88 5.144 -8.089 -8.406 1.00 0.00 O ATOM 1363 CB GLU A 88 2.117 -9.068 -8.384 1.00 0.00 C ATOM 1364 CG GLU A 88 1.205 -7.874 -8.582 1.00 0.00 C ATOM 1365 CD GLU A 88 0.266 -8.064 -9.759 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -0.438 -9.096 -9.805 1.00 0.00 O ATOM 1367 OE2 GLU A 88 0.241 -7.196 -10.658 1.00 0.00 O ATOM 0 H GLU A 88 1.560 -8.467 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 88 3.696 -9.842 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.620 -9.284 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.507 -9.938 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.622 -7.709 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.808 -6.980 -8.740 1.00 0.00 H new ATOM 1374 N ARG A 89 3.958 -6.591 -7.225 1.00 0.00 N ATOM 1375 CA ARG A 89 4.905 -5.490 -7.404 1.00 0.00 C ATOM 1376 C ARG A 89 5.928 -5.429 -6.262 1.00 0.00 C ATOM 1377 O ARG A 89 7.092 -5.095 -6.476 1.00 0.00 O ATOM 1378 CB ARG A 89 4.159 -4.157 -7.508 1.00 0.00 C ATOM 1379 CG ARG A 89 3.743 -3.789 -8.925 1.00 0.00 C ATOM 1380 CD ARG A 89 2.764 -4.789 -9.525 1.00 0.00 C ATOM 1381 NE ARG A 89 1.387 -4.592 -9.062 1.00 0.00 N ATOM 1382 CZ ARG A 89 0.419 -4.069 -9.817 1.00 0.00 C ATOM 1383 NH1 ARG A 89 0.676 -3.651 -11.048 1.00 0.00 N ATOM 1384 NH2 ARG A 89 -0.811 -3.968 -9.343 1.00 0.00 N ATOM 0 H ARG A 89 3.113 -6.333 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 89 5.448 -5.673 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.270 -4.200 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.793 -3.365 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.288 -2.798 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.629 -3.730 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.791 -4.708 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.085 -5.800 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 89 1.156 -4.871 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.620 -3.728 -11.426 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.070 -3.253 -11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.022 -4.290 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.549 -3.568 -9.922 1.00 0.00 H new ATOM 1398 N LEU A 90 5.468 -5.709 -5.049 1.00 0.00 N ATOM 1399 CA LEU A 90 6.309 -5.629 -3.850 1.00 0.00 C ATOM 1400 C LEU A 90 7.098 -6.920 -3.603 1.00 0.00 C ATOM 1401 O LEU A 90 8.327 -6.956 -3.718 1.00 0.00 O ATOM 1402 CB LEU A 90 5.430 -5.333 -2.632 1.00 0.00 C ATOM 1403 CG LEU A 90 4.663 -4.010 -2.682 1.00 0.00 C ATOM 1404 CD1 LEU A 90 3.831 -3.829 -1.423 1.00 0.00 C ATOM 1405 CD2 LEU A 90 5.620 -2.840 -2.863 1.00 0.00 C ATOM 0 H LEU A 90 4.507 -5.997 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 90 7.030 -4.827 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.712 -6.145 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.059 -5.335 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 90 3.990 -4.037 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.292 -2.883 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.117 -4.649 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.486 -3.826 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.054 -1.909 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.320 -2.810 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.172 -2.962 -3.795 1.00 0.00 H new ATOM 1417 N ALA A 91 6.367 -7.974 -3.274 1.00 0.00 N ATOM 1418 CA ALA A 91 6.933 -9.266 -2.900 1.00 0.00 C ATOM 1419 C ALA A 91 7.756 -9.899 -4.020 1.00 0.00 C ATOM 1420 O ALA A 91 8.488 -10.850 -3.778 1.00 0.00 O ATOM 1421 CB ALA A 91 5.833 -10.218 -2.454 1.00 0.00 C ATOM 0 H ALA A 91 5.347 -7.958 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 91 7.615 -9.082 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.271 -11.177 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.313 -9.796 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.125 -10.364 -3.270 1.00 0.00 H new ATOM 1427 N GLU A 92 7.601 -9.425 -5.253 1.00 0.00 N ATOM 1428 CA GLU A 92 8.414 -9.937 -6.356 1.00 0.00 C ATOM 1429 C GLU A 92 9.901 -9.795 -6.050 1.00 0.00 C ATOM 1430 O GLU A 92 10.695 -10.690 -6.341 1.00 0.00 O ATOM 1431 CB GLU A 92 8.114 -9.222 -7.671 1.00 0.00 C ATOM 1432 CG GLU A 92 8.237 -7.712 -7.611 1.00 0.00 C ATOM 1433 CD GLU A 92 8.320 -7.082 -8.987 1.00 0.00 C ATOM 1434 OE1 GLU A 92 7.531 -7.468 -9.872 1.00 0.00 O ATOM 1435 OE2 GLU A 92 9.173 -6.190 -9.190 1.00 0.00 O ATOM 0 H GLU A 92 6.933 -8.700 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 92 8.156 -10.991 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.792 -9.598 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.103 -9.479 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.379 -7.302 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.125 -7.445 -7.039 1.00 0.00 H new ATOM 1442 N ILE A 93 10.263 -8.673 -5.447 1.00 0.00 N ATOM 1443 CA ILE A 93 11.647 -8.381 -5.128 1.00 0.00 C ATOM 1444 C ILE A 93 11.972 -8.904 -3.732 1.00 0.00 C ATOM 1445 O ILE A 93 13.017 -9.519 -3.515 1.00 0.00 O ATOM 1446 CB ILE A 93 11.953 -6.854 -5.237 1.00 0.00 C ATOM 1447 CG1 ILE A 93 12.521 -6.301 -3.931 1.00 0.00 C ATOM 1448 CG2 ILE A 93 10.717 -6.055 -5.647 1.00 0.00 C ATOM 1449 CD1 ILE A 93 14.036 -6.284 -3.876 1.00 0.00 C ATOM 0 H ILE A 93 9.607 -7.944 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 93 12.282 -8.886 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 93 12.706 -6.743 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.151 -5.286 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.144 -6.899 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.972 -4.997 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.364 -6.403 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.931 -6.194 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.361 -5.878 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.416 -7.300 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.422 -5.662 -4.683 1.00 0.00 H new ATOM 1461 N ALA A 94 11.046 -8.694 -2.800 1.00 0.00 N ATOM 1462 CA ALA A 94 11.228 -9.140 -1.418 1.00 0.00 C ATOM 1463 C ALA A 94 10.746 -10.575 -1.258 1.00 0.00 C ATOM 1464 O ALA A 94 10.366 -11.013 -0.175 1.00 0.00 O ATOM 1465 CB ALA A 94 10.497 -8.215 -0.465 1.00 0.00 C ATOM 0 H ALA A 94 10.161 -8.218 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 94 12.290 -9.108 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.642 -8.559 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.890 -7.203 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.433 -8.216 -0.701 1.00 0.00 H new ATOM 1471 N GLU A 95 10.830 -11.290 -2.363 1.00 0.00 N ATOM 1472 CA GLU A 95 10.319 -12.650 -2.513 1.00 0.00 C ATOM 1473 C GLU A 95 10.689 -13.574 -1.356 1.00 0.00 C ATOM 1474 O GLU A 95 9.818 -14.185 -0.738 1.00 0.00 O ATOM 1475 CB GLU A 95 10.852 -13.229 -3.824 1.00 0.00 C ATOM 1476 CG GLU A 95 12.365 -13.150 -3.942 1.00 0.00 C ATOM 1477 CD GLU A 95 12.877 -13.705 -5.251 1.00 0.00 C ATOM 1478 OE1 GLU A 95 12.981 -14.942 -5.373 1.00 0.00 O ATOM 1479 OE2 GLU A 95 13.181 -12.906 -6.162 1.00 0.00 O ATOM 0 H GLU A 95 11.269 -10.934 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 95 9.231 -12.589 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.542 -14.271 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.400 -12.695 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.679 -12.111 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.819 -13.699 -3.117 1.00 0.00 H new ATOM 1486 N ASP A 96 11.974 -13.683 -1.079 1.00 0.00 N ATOM 1487 CA ASP A 96 12.462 -14.659 -0.113 1.00 0.00 C ATOM 1488 C ASP A 96 12.275 -14.174 1.313 1.00 0.00 C ATOM 1489 O ASP A 96 12.207 -14.968 2.248 1.00 0.00 O ATOM 1490 CB ASP A 96 13.937 -14.971 -0.378 1.00 0.00 C ATOM 1491 CG ASP A 96 14.487 -16.023 0.564 1.00 0.00 C ATOM 1492 OD1 ASP A 96 14.093 -17.203 0.440 1.00 0.00 O ATOM 1493 OD2 ASP A 96 15.327 -15.680 1.423 1.00 0.00 O ATOM 0 H ASP A 96 12.702 -13.110 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 96 11.876 -15.570 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.053 -15.313 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.522 -14.057 -0.278 1.00 0.00 H new ATOM 1498 N TYR A 97 12.162 -12.872 1.467 1.00 0.00 N ATOM 1499 CA TYR A 97 12.182 -12.261 2.781 1.00 0.00 C ATOM 1500 C TYR A 97 10.768 -12.087 3.311 1.00 0.00 C ATOM 1501 O TYR A 97 10.442 -12.573 4.391 1.00 0.00 O ATOM 1502 CB TYR A 97 12.897 -10.913 2.699 1.00 0.00 C ATOM 1503 CG TYR A 97 13.880 -10.849 1.551 1.00 0.00 C ATOM 1504 CD1 TYR A 97 15.056 -11.587 1.564 1.00 0.00 C ATOM 1505 CD2 TYR A 97 13.614 -10.071 0.438 1.00 0.00 C ATOM 1506 CE1 TYR A 97 15.934 -11.543 0.499 1.00 0.00 C ATOM 1507 CE2 TYR A 97 14.488 -10.022 -0.629 1.00 0.00 C ATOM 1508 CZ TYR A 97 15.645 -10.758 -0.593 1.00 0.00 C ATOM 1509 OH TYR A 97 16.518 -10.709 -1.655 1.00 0.00 O ATOM 0 H TYR A 97 12.055 -12.213 0.696 1.00 0.00 H new ATOM 0 HA TYR A 97 12.720 -12.910 3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 97 12.158 -10.120 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.424 -10.727 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.287 -12.204 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.704 -9.490 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.845 -12.123 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 97 14.262 -9.407 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 97 16.163 -10.109 -2.343 1.00 0.00 H new ATOM 1519 N GLU A 98 9.928 -11.418 2.532 1.00 0.00 N ATOM 1520 CA GLU A 98 8.564 -11.131 2.947 1.00 0.00 C ATOM 1521 C GLU A 98 7.583 -11.409 1.817 1.00 0.00 C ATOM 1522 O GLU A 98 7.468 -10.634 0.868 1.00 0.00 O ATOM 1523 CB GLU A 98 8.440 -9.673 3.399 1.00 0.00 C ATOM 1524 CG GLU A 98 9.312 -9.329 4.591 1.00 0.00 C ATOM 1525 CD GLU A 98 8.826 -9.950 5.889 1.00 0.00 C ATOM 1526 OE1 GLU A 98 8.309 -11.085 5.867 1.00 0.00 O ATOM 1527 OE2 GLU A 98 8.977 -9.305 6.948 1.00 0.00 O ATOM 0 H GLU A 98 10.170 -11.064 1.607 1.00 0.00 H new ATOM 0 HA GLU A 98 8.321 -11.785 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.703 -9.020 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.399 -9.467 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.331 -9.663 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.348 -8.246 4.706 1.00 0.00 H new ATOM 1534 N VAL A 99 6.897 -12.531 1.924 1.00 0.00 N ATOM 1535 CA VAL A 99 5.844 -12.883 0.993 1.00 0.00 C ATOM 1536 C VAL A 99 4.532 -13.037 1.763 1.00 0.00 C ATOM 1537 O VAL A 99 4.194 -14.111 2.264 1.00 0.00 O ATOM 1538 CB VAL A 99 6.190 -14.167 0.190 1.00 0.00 C ATOM 1539 CG1 VAL A 99 6.599 -15.309 1.111 1.00 0.00 C ATOM 1540 CG2 VAL A 99 5.028 -14.582 -0.702 1.00 0.00 C ATOM 0 H VAL A 99 7.054 -13.222 2.657 1.00 0.00 H new ATOM 0 HA VAL A 99 5.737 -12.084 0.259 1.00 0.00 H new ATOM 0 HB VAL A 99 7.043 -13.934 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.834 -16.191 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.477 -15.016 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.779 -15.539 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.296 -15.483 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.150 -14.780 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.805 -13.780 -1.405 1.00 0.00 H new ATOM 1550 N ASN A 100 3.824 -11.931 1.894 1.00 0.00 N ATOM 1551 CA ASN A 100 2.603 -11.888 2.691 1.00 0.00 C ATOM 1552 C ASN A 100 1.457 -12.634 2.023 1.00 0.00 C ATOM 1553 O ASN A 100 0.685 -12.066 1.244 1.00 0.00 O ATOM 1554 CB ASN A 100 2.182 -10.448 2.977 1.00 0.00 C ATOM 1555 CG ASN A 100 3.141 -9.727 3.905 1.00 0.00 C ATOM 1556 OD1 ASN A 100 2.960 -9.722 5.128 1.00 0.00 O ATOM 1557 ND2 ASN A 100 4.162 -9.102 3.334 1.00 0.00 N ATOM 0 H ASN A 100 4.072 -11.043 1.458 1.00 0.00 H new ATOM 0 HA ASN A 100 2.829 -12.388 3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.114 -9.901 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.186 -10.447 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.834 -8.593 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.275 -9.131 2.321 1.00 0.00 H new ATOM 1564 N ARG A 101 1.358 -13.912 2.333 1.00 0.00 N ATOM 1565 CA ARG A 101 0.239 -14.721 1.893 1.00 0.00 C ATOM 1566 C ARG A 101 -1.009 -14.342 2.683 1.00 0.00 C ATOM 1567 O ARG A 101 -1.092 -14.695 3.873 1.00 0.00 O ATOM 1568 CB ARG A 101 0.545 -16.213 2.060 1.00 0.00 C ATOM 1569 CG ARG A 101 -0.632 -17.116 1.717 1.00 0.00 C ATOM 1570 CD ARG A 101 -0.276 -18.589 1.860 1.00 0.00 C ATOM 1571 NE ARG A 101 0.639 -19.043 0.812 1.00 0.00 N ATOM 1572 CZ ARG A 101 1.042 -20.307 0.674 1.00 0.00 C ATOM 1573 NH1 ARG A 101 0.643 -21.240 1.534 1.00 0.00 N ATOM 1574 NH2 ARG A 101 1.853 -20.637 -0.322 1.00 0.00 N ATOM 1575 OXT ARG A 101 -1.891 -13.671 2.113 1.00 0.00 O ATOM 0 H ARG A 101 2.046 -14.416 2.893 1.00 0.00 H new ATOM 0 HA ARG A 101 0.064 -14.531 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.391 -16.476 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.849 -16.401 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.473 -16.880 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.956 -16.918 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.180 -18.757 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.188 -19.186 1.827 1.00 0.00 H new ATOM 0 HE ARG A 101 0.989 -18.352 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.024 -20.991 2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.956 -22.204 1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.168 -19.925 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.162 -21.603 -0.429 1.00 0.00 H new TER 1589 ARG A 101