USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 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 70 HIS : no HD1:sc= -0.924 K(o=-1.8,f=0.5) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.843 USER MOD Set 2.1: A 18 MET CE :methyl -178:sc= -0.612 (180deg=-0.618) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 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 139:sc= -0.148 (180deg=-0.738) USER MOD Single : A 4 THR OG1 : rot -32:sc= 1.03 USER MOD Single : A 7 TYR OH : rot 149:sc= -0.291 USER MOD Single : A 8 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.052) USER MOD Single : A 11 GLN : amide:sc= -1.26 K(o=-1.3,f=-7.7!) USER MOD Single : A 15 SER OG : rot -102:sc= 1.25 USER MOD Single : A 17 MET CE :methyl 167:sc= -0.562 (180deg=-1.39) USER MOD Single : A 26 ASN : amide:sc= -0.78 K(o=-0.78,f=-8.1!) USER MOD Single : A 28 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.006) USER MOD Single : A 30 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.18) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 51 CYS SG : rot -94:sc= 0.287 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.556 USER MOD Single : A 62 TYR OH : rot -39:sc= -4.25! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 78:sc= 1.25 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -127:sc= 0.537 (180deg=0.00841) USER MOD Single : A 73 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.78) USER MOD Single : A 76 SER OG : rot -29:sc= 0.27 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -3.42! (180deg=-5.53!) USER MOD Single : A 97 TYR OH : rot 89:sc= -0.0543 USER MOD Single : A 100 ASN : amide:sc= 2.16 K(o=2.2,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.230 -8.551 -4.102 1.00 0.00 N ATOM 2 CA GLY A 1 19.959 -7.357 -4.938 1.00 0.00 C ATOM 3 C GLY A 1 19.637 -6.142 -4.098 1.00 0.00 C ATOM 4 O GLY A 1 20.323 -5.862 -3.116 1.00 0.00 O ATOM 0 H1 GLY A 1 20.446 -9.362 -4.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.041 -8.362 -3.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.393 -8.768 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.827 -7.147 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.126 -7.565 -5.609 1.00 0.00 H new ATOM 10 N SER A 2 18.566 -5.446 -4.460 1.00 0.00 N ATOM 11 CA SER A 2 18.147 -4.235 -3.761 1.00 0.00 C ATOM 12 C SER A 2 17.176 -4.582 -2.636 1.00 0.00 C ATOM 13 O SER A 2 16.279 -3.800 -2.313 1.00 0.00 O ATOM 14 CB SER A 2 17.477 -3.272 -4.745 1.00 0.00 C ATOM 15 OG SER A 2 18.335 -2.971 -5.836 1.00 0.00 O ATOM 0 H SER A 2 17.965 -5.703 -5.243 1.00 0.00 H new ATOM 0 HA SER A 2 19.027 -3.756 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.553 -3.714 -5.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.205 -2.351 -4.228 1.00 0.00 H new ATOM 0 HG SER A 2 17.881 -2.356 -6.449 1.00 0.00 H new ATOM 21 N MET A 3 17.382 -5.759 -2.047 1.00 0.00 N ATOM 22 CA MET A 3 16.495 -6.309 -1.024 1.00 0.00 C ATOM 23 C MET A 3 15.112 -6.592 -1.588 1.00 0.00 C ATOM 24 O MET A 3 14.796 -6.254 -2.730 1.00 0.00 O ATOM 25 CB MET A 3 16.359 -5.387 0.192 1.00 0.00 C ATOM 26 CG MET A 3 17.613 -5.274 1.052 1.00 0.00 C ATOM 27 SD MET A 3 18.922 -4.287 0.294 1.00 0.00 S ATOM 28 CE MET A 3 18.159 -2.666 0.279 1.00 0.00 C ATOM 0 H MET A 3 18.175 -6.362 -2.268 1.00 0.00 H new ATOM 0 HA MET A 3 16.956 -7.241 -0.698 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.082 -4.391 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.540 -5.748 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.346 -4.833 2.012 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.995 -6.274 1.256 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.898 -1.914 0.556 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.779 -2.452 -0.720 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.335 -2.645 0.992 1.00 0.00 H new ATOM 38 N THR A 4 14.299 -7.244 -0.788 1.00 0.00 N ATOM 39 CA THR A 4 12.925 -7.504 -1.150 1.00 0.00 C ATOM 40 C THR A 4 11.993 -6.949 -0.074 1.00 0.00 C ATOM 41 O THR A 4 10.796 -7.233 -0.063 1.00 0.00 O ATOM 42 CB THR A 4 12.696 -9.013 -1.378 1.00 0.00 C ATOM 43 OG1 THR A 4 11.313 -9.287 -1.647 1.00 0.00 O ATOM 44 CG2 THR A 4 13.165 -9.804 -0.170 1.00 0.00 C ATOM 0 H THR A 4 14.570 -7.607 0.126 1.00 0.00 H new ATOM 0 HA THR A 4 12.701 -6.998 -2.089 1.00 0.00 H new ATOM 0 HB THR A 4 13.278 -9.319 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.752 -8.644 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.998 -10.867 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.228 -9.626 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.606 -9.488 0.711 1.00 0.00 H new ATOM 52 N VAL A 5 12.597 -6.143 0.808 1.00 0.00 N ATOM 53 CA VAL A 5 11.914 -5.368 1.858 1.00 0.00 C ATOM 54 C VAL A 5 11.210 -6.239 2.909 1.00 0.00 C ATOM 55 O VAL A 5 10.866 -7.389 2.669 1.00 0.00 O ATOM 56 CB VAL A 5 10.912 -4.342 1.262 1.00 0.00 C ATOM 57 CG1 VAL A 5 9.517 -4.923 1.106 1.00 0.00 C ATOM 58 CG2 VAL A 5 10.872 -3.082 2.106 1.00 0.00 C ATOM 0 H VAL A 5 13.608 -6.006 0.813 1.00 0.00 H new ATOM 0 HA VAL A 5 12.711 -4.829 2.371 1.00 0.00 H new ATOM 0 HB VAL A 5 11.269 -4.089 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.853 -4.168 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.554 -5.785 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.141 -5.234 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.164 -2.376 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.559 -3.333 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.864 -2.631 2.134 1.00 0.00 H new ATOM 68 N ARG A 6 11.010 -5.659 4.087 1.00 0.00 N ATOM 69 CA ARG A 6 10.291 -6.310 5.177 1.00 0.00 C ATOM 70 C ARG A 6 9.243 -5.357 5.742 1.00 0.00 C ATOM 71 O ARG A 6 9.497 -4.159 5.885 1.00 0.00 O ATOM 72 CB ARG A 6 11.249 -6.748 6.289 1.00 0.00 C ATOM 73 CG ARG A 6 12.127 -7.935 5.924 1.00 0.00 C ATOM 74 CD ARG A 6 11.348 -9.240 5.968 1.00 0.00 C ATOM 75 NE ARG A 6 10.882 -9.560 7.319 1.00 0.00 N ATOM 76 CZ ARG A 6 9.902 -10.423 7.589 1.00 0.00 C ATOM 77 NH1 ARG A 6 9.301 -11.079 6.602 1.00 0.00 N ATOM 78 NH2 ARG A 6 9.541 -10.647 8.846 1.00 0.00 N ATOM 0 H ARG A 6 11.343 -4.722 4.314 1.00 0.00 H new ATOM 0 HA ARG A 6 9.802 -7.200 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.888 -5.906 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.667 -7.000 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.540 -7.790 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.970 -7.990 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.492 -9.173 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.978 -10.050 5.601 1.00 0.00 H new ATOM 0 HE ARG A 6 11.336 -9.093 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.589 -10.923 5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.552 -11.739 6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.013 -10.159 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.791 -11.307 9.051 1.00 0.00 H new ATOM 92 N TYR A 7 8.070 -5.895 6.055 1.00 0.00 N ATOM 93 CA TYR A 7 6.932 -5.090 6.489 1.00 0.00 C ATOM 94 C TYR A 7 5.848 -5.986 7.057 1.00 0.00 C ATOM 95 O TYR A 7 5.942 -7.210 6.981 1.00 0.00 O ATOM 96 CB TYR A 7 6.376 -4.281 5.312 1.00 0.00 C ATOM 97 CG TYR A 7 5.964 -5.135 4.137 1.00 0.00 C ATOM 98 CD1 TYR A 7 6.896 -5.557 3.198 1.00 0.00 C ATOM 99 CD2 TYR A 7 4.648 -5.527 3.973 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.525 -6.346 2.132 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.268 -6.318 2.911 1.00 0.00 C ATOM 102 CZ TYR A 7 5.212 -6.725 1.992 1.00 0.00 C ATOM 103 OH TYR A 7 4.844 -7.515 0.936 1.00 0.00 O ATOM 0 H TYR A 7 7.880 -6.896 6.016 1.00 0.00 H new ATOM 0 HA TYR A 7 7.266 -4.401 7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.516 -3.704 5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.130 -3.565 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.929 -5.261 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.906 -5.208 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.262 -6.665 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.236 -6.618 2.799 1.00 0.00 H new ATOM 0 HH TYR A 7 4.091 -8.084 1.200 1.00 0.00 H new ATOM 113 N GLN A 8 4.823 -5.374 7.623 1.00 0.00 N ATOM 114 CA GLN A 8 3.706 -6.111 8.182 1.00 0.00 C ATOM 115 C GLN A 8 2.401 -5.467 7.759 1.00 0.00 C ATOM 116 O GLN A 8 2.174 -4.278 7.996 1.00 0.00 O ATOM 117 CB GLN A 8 3.778 -6.183 9.712 1.00 0.00 C ATOM 118 CG GLN A 8 4.988 -6.939 10.242 1.00 0.00 C ATOM 119 CD GLN A 8 6.092 -6.031 10.754 1.00 0.00 C ATOM 120 OE1 GLN A 8 6.832 -6.399 11.663 1.00 0.00 O ATOM 121 NE2 GLN A 8 6.213 -4.841 10.187 1.00 0.00 N ATOM 0 H GLN A 8 4.742 -4.361 7.707 1.00 0.00 H new ATOM 0 HA GLN A 8 3.757 -7.130 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.792 -5.169 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.872 -6.661 10.086 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.669 -7.600 11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.387 -7.572 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.581 -4.568 9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.938 -4.197 10.503 1.00 0.00 H new ATOM 130 N ILE A 9 1.576 -6.247 7.097 1.00 0.00 N ATOM 131 CA ILE A 9 0.268 -5.796 6.666 1.00 0.00 C ATOM 132 C ILE A 9 -0.795 -6.106 7.713 1.00 0.00 C ATOM 133 O ILE A 9 -0.943 -7.249 8.153 1.00 0.00 O ATOM 134 CB ILE A 9 -0.115 -6.439 5.322 1.00 0.00 C ATOM 135 CG1 ILE A 9 0.850 -5.955 4.240 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.557 -6.121 4.957 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.451 -6.335 2.836 1.00 0.00 C ATOM 0 H ILE A 9 1.791 -7.211 6.842 1.00 0.00 H new ATOM 0 HA ILE A 9 0.319 -4.715 6.538 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.037 -7.523 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.931 -4.870 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.841 -6.360 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.802 -6.587 4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.222 -6.506 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.682 -5.041 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.190 -5.952 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.399 -7.421 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.525 -5.907 2.607 1.00 0.00 H new ATOM 149 N GLU A 10 -1.522 -5.076 8.114 1.00 0.00 N ATOM 150 CA GLU A 10 -2.593 -5.215 9.074 1.00 0.00 C ATOM 151 C GLU A 10 -3.911 -4.756 8.459 1.00 0.00 C ATOM 152 O GLU A 10 -3.934 -3.892 7.578 1.00 0.00 O ATOM 153 CB GLU A 10 -2.271 -4.398 10.326 1.00 0.00 C ATOM 154 CG GLU A 10 -2.431 -2.894 10.159 1.00 0.00 C ATOM 155 CD GLU A 10 -2.064 -2.138 11.417 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.855 -2.172 12.385 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.974 -1.528 11.456 1.00 0.00 O ATOM 0 H GLU A 10 -1.383 -4.122 7.780 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.692 -6.264 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.918 -4.731 11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.245 -4.610 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.804 -2.553 9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.462 -2.668 9.889 1.00 0.00 H new ATOM 164 N GLN A 11 -5.002 -5.350 8.903 1.00 0.00 N ATOM 165 CA GLN A 11 -6.316 -4.956 8.438 1.00 0.00 C ATOM 166 C GLN A 11 -6.744 -3.661 9.109 1.00 0.00 C ATOM 167 O GLN A 11 -6.722 -3.538 10.334 1.00 0.00 O ATOM 168 CB GLN A 11 -7.332 -6.075 8.688 1.00 0.00 C ATOM 169 CG GLN A 11 -8.781 -5.685 8.404 1.00 0.00 C ATOM 170 CD GLN A 11 -8.965 -5.016 7.054 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.841 -4.174 6.878 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.140 -5.378 6.091 1.00 0.00 N ATOM 0 H GLN A 11 -5.003 -6.108 9.586 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.272 -4.781 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.071 -6.932 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.252 -6.397 9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.406 -6.577 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.130 -5.011 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.423 -6.081 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.219 -4.955 5.166 1.00 0.00 H new ATOM 181 N LEU A 12 -7.111 -2.699 8.274 1.00 0.00 N ATOM 182 CA LEU A 12 -7.503 -1.374 8.726 1.00 0.00 C ATOM 183 C LEU A 12 -8.816 -1.440 9.500 1.00 0.00 C ATOM 184 O LEU A 12 -9.006 -0.725 10.482 1.00 0.00 O ATOM 185 CB LEU A 12 -7.656 -0.463 7.512 1.00 0.00 C ATOM 186 CG LEU A 12 -7.299 1.012 7.701 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.845 1.309 9.124 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.216 1.399 6.712 1.00 0.00 C ATOM 0 H LEU A 12 -7.145 -2.817 7.261 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.736 -0.977 9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.036 -0.861 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.691 -0.520 7.174 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.196 1.604 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.601 2.368 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.645 1.060 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.963 0.712 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.960 2.450 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.331 0.786 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.577 1.240 5.696 1.00 0.00 H new ATOM 200 N GLY A 13 -9.716 -2.298 9.044 1.00 0.00 N ATOM 201 CA GLY A 13 -10.985 -2.467 9.717 1.00 0.00 C ATOM 202 C GLY A 13 -11.987 -3.232 8.877 1.00 0.00 C ATOM 203 O GLY A 13 -12.198 -4.427 9.082 1.00 0.00 O ATOM 0 H GLY A 13 -9.589 -2.882 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.827 -2.994 10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.395 -1.488 9.965 1.00 0.00 H new ATOM 207 N ASP A 14 -12.603 -2.544 7.928 1.00 0.00 N ATOM 208 CA ASP A 14 -13.620 -3.153 7.081 1.00 0.00 C ATOM 209 C ASP A 14 -13.053 -3.575 5.731 1.00 0.00 C ATOM 210 O ASP A 14 -12.928 -4.766 5.444 1.00 0.00 O ATOM 211 CB ASP A 14 -14.794 -2.193 6.879 1.00 0.00 C ATOM 212 CG ASP A 14 -15.816 -2.725 5.896 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.431 -3.772 6.183 1.00 0.00 O ATOM 214 OD2 ASP A 14 -16.010 -2.097 4.833 1.00 0.00 O ATOM 0 H ASP A 14 -12.417 -1.562 7.724 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.973 -4.050 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.278 -2.010 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.418 -1.234 6.523 1.00 0.00 H new ATOM 219 N SER A 15 -12.696 -2.598 4.912 1.00 0.00 N ATOM 220 CA SER A 15 -12.246 -2.866 3.556 1.00 0.00 C ATOM 221 C SER A 15 -11.139 -1.900 3.169 1.00 0.00 C ATOM 222 O SER A 15 -11.172 -1.257 2.119 1.00 0.00 O ATOM 223 CB SER A 15 -13.424 -2.771 2.593 1.00 0.00 C ATOM 224 OG SER A 15 -14.244 -1.653 2.897 1.00 0.00 O ATOM 0 H SER A 15 -12.709 -1.610 5.164 1.00 0.00 H new ATOM 0 HA SER A 15 -11.841 -3.877 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.056 -2.688 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.016 -3.685 2.646 1.00 0.00 H new ATOM 0 HG SER A 15 -15.044 -1.955 3.375 1.00 0.00 H new ATOM 230 N ALA A 16 -10.166 -1.805 4.047 1.00 0.00 N ATOM 231 CA ALA A 16 -8.998 -0.984 3.827 1.00 0.00 C ATOM 232 C ALA A 16 -7.793 -1.707 4.392 1.00 0.00 C ATOM 233 O ALA A 16 -7.924 -2.511 5.315 1.00 0.00 O ATOM 234 CB ALA A 16 -9.168 0.385 4.470 1.00 0.00 C ATOM 0 H ALA A 16 -10.163 -2.299 4.940 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.857 -0.819 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.276 0.985 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.034 0.885 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.316 0.267 5.543 1.00 0.00 H new ATOM 240 N MET A 17 -6.632 -1.451 3.836 1.00 0.00 N ATOM 241 CA MET A 17 -5.434 -2.174 4.257 1.00 0.00 C ATOM 242 C MET A 17 -4.326 -1.229 4.712 1.00 0.00 C ATOM 243 O MET A 17 -3.992 -0.273 4.021 1.00 0.00 O ATOM 244 CB MET A 17 -4.956 -3.070 3.113 1.00 0.00 C ATOM 245 CG MET A 17 -3.632 -3.759 3.357 1.00 0.00 C ATOM 246 SD MET A 17 -3.395 -5.194 2.295 1.00 0.00 S ATOM 247 CE MET A 17 -3.506 -4.439 0.679 1.00 0.00 C ATOM 0 H MET A 17 -6.482 -0.760 3.101 1.00 0.00 H new ATOM 0 HA MET A 17 -5.690 -2.791 5.118 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.715 -3.829 2.923 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.875 -2.468 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.821 -3.050 3.190 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.575 -4.070 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.154 -5.142 -0.076 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.543 -4.173 0.472 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.889 -3.541 0.654 1.00 0.00 H new ATOM 257 N MET A 18 -3.757 -1.502 5.880 1.00 0.00 N ATOM 258 CA MET A 18 -2.665 -0.689 6.396 1.00 0.00 C ATOM 259 C MET A 18 -1.396 -1.518 6.514 1.00 0.00 C ATOM 260 O MET A 18 -1.385 -2.581 7.123 1.00 0.00 O ATOM 261 CB MET A 18 -3.028 -0.069 7.748 1.00 0.00 C ATOM 262 CG MET A 18 -1.887 0.703 8.393 1.00 0.00 C ATOM 263 SD MET A 18 -2.382 1.558 9.903 1.00 0.00 S ATOM 264 CE MET A 18 -3.483 2.809 9.249 1.00 0.00 C ATOM 0 H MET A 18 -4.032 -2.276 6.484 1.00 0.00 H new ATOM 0 HA MET A 18 -2.488 0.123 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.878 0.600 7.614 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.349 -0.860 8.426 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.073 0.015 8.621 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.499 1.431 7.680 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.841 3.440 10.063 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.948 3.422 8.524 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.332 2.328 8.762 1.00 0.00 H new ATOM 274 N ILE A 19 -0.332 -1.023 5.921 1.00 0.00 N ATOM 275 CA ILE A 19 0.930 -1.746 5.881 1.00 0.00 C ATOM 276 C ILE A 19 2.022 -0.943 6.565 1.00 0.00 C ATOM 277 O ILE A 19 2.240 0.211 6.220 1.00 0.00 O ATOM 278 CB ILE A 19 1.355 -2.009 4.423 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.230 -2.689 3.653 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.611 -2.865 4.377 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.166 -2.273 2.202 1.00 0.00 C ATOM 0 H ILE A 19 -0.311 -0.116 5.455 1.00 0.00 H new ATOM 0 HA ILE A 19 0.789 -2.694 6.400 1.00 0.00 H new ATOM 0 HB ILE A 19 1.570 -1.049 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.361 -3.770 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.721 -2.458 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.895 -3.039 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.421 -2.350 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.419 -3.820 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.656 -2.793 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.004 -1.197 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.104 -2.529 1.709 1.00 0.00 H new ATOM 293 N ARG A 20 2.713 -1.531 7.527 1.00 0.00 N ATOM 294 CA ARG A 20 3.822 -0.834 8.153 1.00 0.00 C ATOM 295 C ARG A 20 5.121 -1.556 7.852 1.00 0.00 C ATOM 296 O ARG A 20 5.267 -2.752 8.109 1.00 0.00 O ATOM 297 CB ARG A 20 3.626 -0.640 9.667 1.00 0.00 C ATOM 298 CG ARG A 20 3.791 -1.889 10.521 1.00 0.00 C ATOM 299 CD ARG A 20 2.500 -2.679 10.656 1.00 0.00 C ATOM 300 NE ARG A 20 2.625 -3.719 11.664 1.00 0.00 N ATOM 301 CZ ARG A 20 1.754 -3.924 12.654 1.00 0.00 C ATOM 302 NH1 ARG A 20 0.636 -3.213 12.722 1.00 0.00 N ATOM 303 NH2 ARG A 20 1.999 -4.855 13.568 1.00 0.00 N ATOM 0 H ARG A 20 2.531 -2.469 7.885 1.00 0.00 H new ATOM 0 HA ARG A 20 3.864 0.168 7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.337 0.111 10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.628 -0.236 9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.558 -2.526 10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.143 -1.603 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.685 -2.006 10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.243 -3.127 9.696 1.00 0.00 H new ATOM 0 HE ARG A 20 3.436 -4.336 11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.438 -2.505 12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.026 -3.375 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.852 -5.412 13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.335 -5.013 14.326 1.00 0.00 H new ATOM 317 N PHE A 21 6.037 -0.824 7.252 1.00 0.00 N ATOM 318 CA PHE A 21 7.338 -1.351 6.901 1.00 0.00 C ATOM 319 C PHE A 21 8.286 -1.222 8.086 1.00 0.00 C ATOM 320 O PHE A 21 7.861 -0.960 9.212 1.00 0.00 O ATOM 321 CB PHE A 21 7.908 -0.592 5.696 1.00 0.00 C ATOM 322 CG PHE A 21 7.194 -0.834 4.404 1.00 0.00 C ATOM 323 CD1 PHE A 21 5.928 -0.335 4.197 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.808 -1.542 3.382 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.281 -0.535 3.004 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.161 -1.750 2.180 1.00 0.00 C ATOM 327 CZ PHE A 21 5.893 -1.244 1.990 1.00 0.00 C ATOM 0 H PHE A 21 5.900 0.153 6.994 1.00 0.00 H new ATOM 0 HA PHE A 21 7.232 -2.404 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.884 0.476 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.955 -0.869 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.438 0.221 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.803 -1.935 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.288 -0.136 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.646 -2.307 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.381 -1.401 1.052 1.00 0.00 H new ATOM 337 N GLY A 22 9.563 -1.400 7.825 1.00 0.00 N ATOM 338 CA GLY A 22 10.554 -1.295 8.871 1.00 0.00 C ATOM 339 C GLY A 22 11.179 -2.634 9.166 1.00 0.00 C ATOM 340 O GLY A 22 10.560 -3.485 9.805 1.00 0.00 O ATOM 0 H GLY A 22 9.937 -1.617 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.328 -0.587 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.092 -0.899 9.775 1.00 0.00 H new ATOM 344 N GLU A 23 12.397 -2.828 8.694 1.00 0.00 N ATOM 345 CA GLU A 23 13.069 -4.103 8.846 1.00 0.00 C ATOM 346 C GLU A 23 14.289 -3.954 9.756 1.00 0.00 C ATOM 347 O GLU A 23 14.319 -3.070 10.612 1.00 0.00 O ATOM 348 CB GLU A 23 13.471 -4.633 7.473 1.00 0.00 C ATOM 349 CG GLU A 23 14.593 -3.854 6.827 1.00 0.00 C ATOM 350 CD GLU A 23 14.923 -4.363 5.442 1.00 0.00 C ATOM 351 OE1 GLU A 23 15.785 -5.257 5.331 1.00 0.00 O ATOM 352 OE2 GLU A 23 14.330 -3.855 4.464 1.00 0.00 O ATOM 0 H GLU A 23 12.940 -2.118 8.202 1.00 0.00 H new ATOM 0 HA GLU A 23 12.391 -4.818 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.773 -5.676 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.601 -4.613 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.315 -2.802 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.482 -3.914 7.455 1.00 0.00 H new ATOM 359 N GLU A 24 15.284 -4.817 9.561 1.00 0.00 N ATOM 360 CA GLU A 24 16.473 -4.852 10.397 1.00 0.00 C ATOM 361 C GLU A 24 17.164 -3.492 10.507 1.00 0.00 C ATOM 362 O GLU A 24 17.143 -2.867 11.566 1.00 0.00 O ATOM 363 CB GLU A 24 17.460 -5.892 9.863 1.00 0.00 C ATOM 364 CG GLU A 24 17.094 -7.333 10.195 1.00 0.00 C ATOM 365 CD GLU A 24 15.696 -7.714 9.755 1.00 0.00 C ATOM 366 OE1 GLU A 24 15.449 -7.781 8.535 1.00 0.00 O ATOM 367 OE2 GLU A 24 14.836 -7.951 10.632 1.00 0.00 O ATOM 0 H GLU A 24 15.284 -5.513 8.815 1.00 0.00 H new ATOM 0 HA GLU A 24 16.145 -5.127 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.529 -5.787 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.449 -5.678 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.812 -8.001 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.182 -7.484 11.271 1.00 0.00 H new ATOM 374 N ILE A 25 17.771 -3.034 9.418 1.00 0.00 N ATOM 375 CA ILE A 25 18.590 -1.825 9.456 1.00 0.00 C ATOM 376 C ILE A 25 18.437 -1.005 8.182 1.00 0.00 C ATOM 377 O ILE A 25 19.321 -0.229 7.812 1.00 0.00 O ATOM 378 CB ILE A 25 20.087 -2.164 9.672 1.00 0.00 C ATOM 379 CG1 ILE A 25 20.498 -3.423 8.892 1.00 0.00 C ATOM 380 CG2 ILE A 25 20.383 -2.340 11.152 1.00 0.00 C ATOM 381 CD1 ILE A 25 20.602 -3.231 7.391 1.00 0.00 C ATOM 0 H ILE A 25 17.713 -3.478 8.502 1.00 0.00 H new ATOM 0 HA ILE A 25 18.235 -1.233 10.299 1.00 0.00 H new ATOM 0 HB ILE A 25 20.674 -1.329 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 25 21.461 -3.769 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 25 19.774 -4.212 9.095 1.00 0.00 H new ATOM 0 HG21 ILE A 25 21.438 -2.578 11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 25 20.149 -1.417 11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.775 -3.152 11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.897 -4.170 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 25 19.636 -2.917 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 25 21.348 -2.467 7.173 1.00 0.00 H new ATOM 393 N ASN A 26 17.307 -1.173 7.523 1.00 0.00 N ATOM 394 CA ASN A 26 17.100 -0.568 6.219 1.00 0.00 C ATOM 395 C ASN A 26 16.154 0.623 6.294 1.00 0.00 C ATOM 396 O ASN A 26 14.973 0.477 6.607 1.00 0.00 O ATOM 397 CB ASN A 26 16.560 -1.609 5.250 1.00 0.00 C ATOM 398 CG ASN A 26 16.346 -1.063 3.860 1.00 0.00 C ATOM 399 OD1 ASN A 26 17.068 -0.175 3.413 1.00 0.00 O ATOM 400 ND2 ASN A 26 15.338 -1.579 3.175 1.00 0.00 N ATOM 0 H ASN A 26 16.519 -1.722 7.867 1.00 0.00 H new ATOM 0 HA ASN A 26 18.062 -0.200 5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 26 17.254 -2.448 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.616 -1.998 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.134 -1.240 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.765 -2.315 3.587 1.00 0.00 H new ATOM 407 N GLU A 27 16.687 1.802 6.005 1.00 0.00 N ATOM 408 CA GLU A 27 15.891 3.025 5.985 1.00 0.00 C ATOM 409 C GLU A 27 15.082 3.133 4.694 1.00 0.00 C ATOM 410 O GLU A 27 14.118 3.893 4.628 1.00 0.00 O ATOM 411 CB GLU A 27 16.775 4.266 6.144 1.00 0.00 C ATOM 412 CG GLU A 27 17.740 4.493 4.992 1.00 0.00 C ATOM 413 CD GLU A 27 18.402 5.853 5.052 1.00 0.00 C ATOM 414 OE1 GLU A 27 17.751 6.848 4.672 1.00 0.00 O ATOM 415 OE2 GLU A 27 19.574 5.936 5.473 1.00 0.00 O ATOM 0 H GLU A 27 17.672 1.939 5.780 1.00 0.00 H new ATOM 0 HA GLU A 27 15.203 2.975 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.136 5.143 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 27 17.345 4.177 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.506 3.718 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.204 4.394 4.048 1.00 0.00 H new ATOM 422 N GLN A 28 15.480 2.369 3.675 1.00 0.00 N ATOM 423 CA GLN A 28 14.830 2.406 2.363 1.00 0.00 C ATOM 424 C GLN A 28 13.330 2.126 2.494 1.00 0.00 C ATOM 425 O GLN A 28 12.522 2.633 1.714 1.00 0.00 O ATOM 426 CB GLN A 28 15.489 1.380 1.438 1.00 0.00 C ATOM 427 CG GLN A 28 15.545 1.779 -0.029 1.00 0.00 C ATOM 428 CD GLN A 28 14.228 1.609 -0.759 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.910 0.523 -1.237 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.475 2.688 -0.896 1.00 0.00 N ATOM 0 H GLN A 28 16.257 1.711 3.735 1.00 0.00 H new ATOM 0 HA GLN A 28 14.949 3.402 1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.505 1.197 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.948 0.437 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.858 2.821 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.307 1.182 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.772 3.573 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.597 2.635 -1.413 1.00 0.00 H new ATOM 439 N VAL A 29 12.962 1.340 3.504 1.00 0.00 N ATOM 440 CA VAL A 29 11.558 1.031 3.763 1.00 0.00 C ATOM 441 C VAL A 29 10.760 2.309 4.021 1.00 0.00 C ATOM 442 O VAL A 29 9.593 2.415 3.648 1.00 0.00 O ATOM 443 CB VAL A 29 11.394 0.072 4.967 1.00 0.00 C ATOM 444 CG1 VAL A 29 12.117 -1.240 4.715 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.887 0.714 6.258 1.00 0.00 C ATOM 0 H VAL A 29 13.616 0.906 4.155 1.00 0.00 H new ATOM 0 HA VAL A 29 11.172 0.535 2.872 1.00 0.00 H new ATOM 0 HB VAL A 29 10.330 -0.136 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.988 -1.898 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.704 -1.718 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.179 -1.047 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.758 0.015 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.942 0.967 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.314 1.620 6.456 1.00 0.00 H new ATOM 455 N ASN A 30 11.418 3.281 4.637 1.00 0.00 N ATOM 456 CA ASN A 30 10.797 4.565 4.961 1.00 0.00 C ATOM 457 C ASN A 30 10.743 5.459 3.729 1.00 0.00 C ATOM 458 O ASN A 30 9.979 6.419 3.673 1.00 0.00 O ATOM 459 CB ASN A 30 11.570 5.287 6.072 1.00 0.00 C ATOM 460 CG ASN A 30 11.707 4.466 7.337 1.00 0.00 C ATOM 461 OD1 ASN A 30 10.818 4.446 8.187 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.846 3.807 7.478 1.00 0.00 N ATOM 0 H ASN A 30 12.393 3.206 4.927 1.00 0.00 H new ATOM 0 HA ASN A 30 9.784 4.361 5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.563 5.545 5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.064 6.223 6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.014 3.254 8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.555 3.852 6.747 1.00 0.00 H new ATOM 469 N GLY A 31 11.558 5.137 2.735 1.00 0.00 N ATOM 470 CA GLY A 31 11.610 5.942 1.539 1.00 0.00 C ATOM 471 C GLY A 31 10.601 5.485 0.514 1.00 0.00 C ATOM 472 O GLY A 31 9.976 6.302 -0.165 1.00 0.00 O ATOM 0 H GLY A 31 12.183 4.331 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.423 6.985 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.611 5.893 1.111 1.00 0.00 H new ATOM 476 N ILE A 32 10.420 4.176 0.414 1.00 0.00 N ATOM 477 CA ILE A 32 9.531 3.620 -0.589 1.00 0.00 C ATOM 478 C ILE A 32 8.079 3.720 -0.146 1.00 0.00 C ATOM 479 O ILE A 32 7.191 3.818 -0.976 1.00 0.00 O ATOM 480 CB ILE A 32 9.904 2.157 -0.952 1.00 0.00 C ATOM 481 CG1 ILE A 32 9.989 2.011 -2.477 1.00 0.00 C ATOM 482 CG2 ILE A 32 8.924 1.147 -0.362 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.704 2.350 -3.221 1.00 0.00 C ATOM 0 H ILE A 32 10.874 3.485 1.012 1.00 0.00 H new ATOM 0 HA ILE A 32 9.654 4.216 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 32 10.877 1.939 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.787 2.655 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.271 0.985 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.227 0.139 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.921 1.235 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.923 1.345 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.858 2.218 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.904 1.690 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.429 3.385 -3.019 1.00 0.00 H new ATOM 495 N VAL A 33 7.833 3.726 1.157 1.00 0.00 N ATOM 496 CA VAL A 33 6.472 3.888 1.656 1.00 0.00 C ATOM 497 C VAL A 33 5.924 5.252 1.241 1.00 0.00 C ATOM 498 O VAL A 33 4.732 5.405 0.971 1.00 0.00 O ATOM 499 CB VAL A 33 6.406 3.725 3.189 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.309 4.723 3.872 1.00 0.00 C ATOM 501 CG2 VAL A 33 4.980 3.861 3.690 1.00 0.00 C ATOM 0 H VAL A 33 8.546 3.622 1.879 1.00 0.00 H new ATOM 0 HA VAL A 33 5.856 3.104 1.216 1.00 0.00 H new ATOM 0 HB VAL A 33 6.756 2.722 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.247 4.590 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.337 4.566 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.996 5.734 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.962 3.742 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.594 4.846 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.358 3.093 3.230 1.00 0.00 H new ATOM 511 N HIS A 34 6.819 6.229 1.151 1.00 0.00 N ATOM 512 CA HIS A 34 6.465 7.563 0.699 1.00 0.00 C ATOM 513 C HIS A 34 6.148 7.546 -0.794 1.00 0.00 C ATOM 514 O HIS A 34 5.216 8.206 -1.249 1.00 0.00 O ATOM 515 CB HIS A 34 7.615 8.538 0.995 1.00 0.00 C ATOM 516 CG HIS A 34 7.365 9.943 0.533 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.612 10.851 1.245 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.777 10.592 -0.581 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.575 11.996 0.589 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.274 11.866 -0.523 1.00 0.00 N ATOM 0 H HIS A 34 7.805 6.117 1.389 1.00 0.00 H new ATOM 0 HA HIS A 34 5.577 7.897 1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.800 8.548 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.523 8.167 0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.389 10.182 -1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.059 12.889 0.909 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.416 12.593 -1.224 1.00 0.00 H new ATOM 529 N ALA A 35 6.917 6.771 -1.547 1.00 0.00 N ATOM 530 CA ALA A 35 6.762 6.715 -2.994 1.00 0.00 C ATOM 531 C ALA A 35 5.669 5.728 -3.402 1.00 0.00 C ATOM 532 O ALA A 35 5.131 5.808 -4.505 1.00 0.00 O ATOM 533 CB ALA A 35 8.084 6.345 -3.644 1.00 0.00 C ATOM 0 H ALA A 35 7.656 6.172 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 35 6.458 7.703 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.959 6.305 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.835 7.094 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.408 5.370 -3.280 1.00 0.00 H new ATOM 539 N ALA A 36 5.345 4.809 -2.499 1.00 0.00 N ATOM 540 CA ALA A 36 4.377 3.752 -2.766 1.00 0.00 C ATOM 541 C ALA A 36 2.993 4.321 -3.034 1.00 0.00 C ATOM 542 O ALA A 36 2.180 3.696 -3.706 1.00 0.00 O ATOM 543 CB ALA A 36 4.326 2.762 -1.608 1.00 0.00 C ATOM 0 H ALA A 36 5.746 4.776 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 36 4.704 3.226 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.597 1.982 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.309 2.312 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.035 3.283 -0.696 1.00 0.00 H new ATOM 549 N ALA A 37 2.746 5.521 -2.528 1.00 0.00 N ATOM 550 CA ALA A 37 1.471 6.186 -2.728 1.00 0.00 C ATOM 551 C ALA A 37 1.269 6.442 -4.209 1.00 0.00 C ATOM 552 O ALA A 37 0.191 6.233 -4.760 1.00 0.00 O ATOM 553 CB ALA A 37 1.433 7.495 -1.958 1.00 0.00 C ATOM 0 H ALA A 37 3.416 6.054 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 37 0.668 5.548 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.471 7.983 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.567 7.296 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.233 8.147 -2.309 1.00 0.00 H new ATOM 559 N ALA A 38 2.338 6.875 -4.851 1.00 0.00 N ATOM 560 CA ALA A 38 2.315 7.093 -6.277 1.00 0.00 C ATOM 561 C ALA A 38 2.584 5.793 -7.025 1.00 0.00 C ATOM 562 O ALA A 38 2.094 5.593 -8.133 1.00 0.00 O ATOM 563 CB ALA A 38 3.326 8.153 -6.671 1.00 0.00 C ATOM 0 H ALA A 38 3.231 7.081 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 38 1.321 7.446 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.294 8.303 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.087 9.089 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.325 7.829 -6.380 1.00 0.00 H new ATOM 569 N TYR A 39 3.354 4.907 -6.400 1.00 0.00 N ATOM 570 CA TYR A 39 3.721 3.634 -7.012 1.00 0.00 C ATOM 571 C TYR A 39 2.468 2.824 -7.343 1.00 0.00 C ATOM 572 O TYR A 39 2.333 2.287 -8.446 1.00 0.00 O ATOM 573 CB TYR A 39 4.632 2.828 -6.081 1.00 0.00 C ATOM 574 CG TYR A 39 5.522 1.831 -6.801 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.984 0.820 -7.590 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.906 1.901 -6.685 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.797 -0.087 -8.242 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.724 0.997 -7.335 1.00 0.00 C ATOM 579 CZ TYR A 39 7.164 0.006 -8.111 1.00 0.00 C ATOM 580 OH TYR A 39 7.974 -0.900 -8.756 1.00 0.00 O ATOM 0 H TYR A 39 3.737 5.048 -5.465 1.00 0.00 H new ATOM 0 HA TYR A 39 4.263 3.843 -7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.259 3.518 -5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.015 2.294 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.912 0.743 -7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.349 2.675 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.362 -0.865 -8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.797 1.067 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 39 8.913 -0.696 -8.562 1.00 0.00 H new ATOM 590 N ILE A 40 1.543 2.764 -6.389 1.00 0.00 N ATOM 591 CA ILE A 40 0.332 1.972 -6.542 1.00 0.00 C ATOM 592 C ILE A 40 -0.618 2.595 -7.556 1.00 0.00 C ATOM 593 O ILE A 40 -1.253 1.889 -8.328 1.00 0.00 O ATOM 594 CB ILE A 40 -0.402 1.819 -5.198 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.500 1.118 -4.192 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.704 1.044 -5.373 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.067 1.324 -2.763 1.00 0.00 C ATOM 0 H ILE A 40 1.612 3.258 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 40 0.641 0.990 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.649 2.813 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.516 0.050 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.520 1.483 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.204 0.950 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.354 1.576 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.486 0.052 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.751 0.799 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.078 2.389 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.942 0.934 -2.629 1.00 0.00 H new ATOM 609 N GLU A 41 -0.705 3.919 -7.563 1.00 0.00 N ATOM 610 CA GLU A 41 -1.675 4.596 -8.409 1.00 0.00 C ATOM 611 C GLU A 41 -1.234 4.592 -9.873 1.00 0.00 C ATOM 612 O GLU A 41 -2.052 4.788 -10.773 1.00 0.00 O ATOM 613 CB GLU A 41 -1.933 6.021 -7.915 1.00 0.00 C ATOM 614 CG GLU A 41 -0.832 7.022 -8.232 1.00 0.00 C ATOM 615 CD GLU A 41 -1.195 8.427 -7.793 1.00 0.00 C ATOM 616 OE1 GLU A 41 -2.190 8.981 -8.318 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.498 8.984 -6.923 1.00 0.00 O ATOM 0 H GLU A 41 -0.123 4.538 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.613 4.044 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.865 6.378 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.079 5.994 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.090 6.715 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.636 7.017 -9.304 1.00 0.00 H new ATOM 624 N GLU A 42 0.056 4.377 -10.108 1.00 0.00 N ATOM 625 CA GLU A 42 0.567 4.254 -11.470 1.00 0.00 C ATOM 626 C GLU A 42 0.318 2.851 -12.012 1.00 0.00 C ATOM 627 O GLU A 42 0.088 2.666 -13.208 1.00 0.00 O ATOM 628 CB GLU A 42 2.059 4.585 -11.533 1.00 0.00 C ATOM 629 CG GLU A 42 2.370 6.040 -11.235 1.00 0.00 C ATOM 630 CD GLU A 42 3.773 6.425 -11.643 1.00 0.00 C ATOM 631 OE1 GLU A 42 4.022 6.568 -12.858 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.635 6.595 -10.756 1.00 0.00 O ATOM 0 H GLU A 42 0.763 4.285 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 42 0.032 4.972 -12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.593 3.955 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.436 4.337 -12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.655 6.676 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.241 6.225 -10.169 1.00 0.00 H new ATOM 639 N GLN A 43 0.344 1.866 -11.124 1.00 0.00 N ATOM 640 CA GLN A 43 0.084 0.480 -11.504 1.00 0.00 C ATOM 641 C GLN A 43 -1.023 -0.102 -10.628 1.00 0.00 C ATOM 642 O GLN A 43 -0.797 -1.050 -9.870 1.00 0.00 O ATOM 643 CB GLN A 43 1.359 -0.350 -11.378 1.00 0.00 C ATOM 644 CG GLN A 43 2.452 0.136 -12.306 1.00 0.00 C ATOM 645 CD GLN A 43 3.820 -0.391 -11.937 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.960 -1.502 -11.426 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.839 0.407 -12.189 1.00 0.00 N ATOM 0 H GLN A 43 0.543 2.000 -10.133 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.243 0.453 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.715 -0.312 -10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.135 -1.393 -11.599 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.216 -0.167 -13.326 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.473 1.226 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.679 1.320 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.788 0.111 -11.959 1.00 0.00 H new ATOM 656 N PRO A 44 -2.243 0.450 -10.735 1.00 0.00 N ATOM 657 CA PRO A 44 -3.327 0.162 -9.810 1.00 0.00 C ATOM 658 C PRO A 44 -4.225 -0.987 -10.245 1.00 0.00 C ATOM 659 O PRO A 44 -4.065 -1.570 -11.321 1.00 0.00 O ATOM 660 CB PRO A 44 -4.111 1.471 -9.829 1.00 0.00 C ATOM 661 CG PRO A 44 -3.960 1.987 -11.223 1.00 0.00 C ATOM 662 CD PRO A 44 -2.679 1.398 -11.778 1.00 0.00 C ATOM 0 HA PRO A 44 -2.953 -0.152 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.159 1.308 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.716 2.179 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.814 1.698 -11.836 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.918 3.076 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.850 0.894 -12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.929 2.169 -11.956 1.00 0.00 H new ATOM 670 N PHE A 45 -5.161 -1.297 -9.370 1.00 0.00 N ATOM 671 CA PHE A 45 -6.205 -2.263 -9.631 1.00 0.00 C ATOM 672 C PHE A 45 -7.507 -1.506 -9.849 1.00 0.00 C ATOM 673 O PHE A 45 -7.700 -0.444 -9.263 1.00 0.00 O ATOM 674 CB PHE A 45 -6.321 -3.249 -8.458 1.00 0.00 C ATOM 675 CG PHE A 45 -6.064 -2.628 -7.111 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.076 -1.982 -6.423 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.804 -2.695 -6.538 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.836 -1.412 -5.189 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.559 -2.126 -5.304 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.576 -1.483 -4.630 1.00 0.00 C ATOM 0 H PHE A 45 -5.217 -0.876 -8.442 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.972 -2.846 -10.522 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.320 -3.686 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.615 -4.065 -8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.064 -1.923 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.005 -3.198 -7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.634 -0.911 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.573 -2.184 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.387 -1.035 -3.666 1.00 0.00 H new ATOM 690 N PRO A 46 -8.392 -2.023 -10.725 1.00 0.00 N ATOM 691 CA PRO A 46 -9.626 -1.330 -11.166 1.00 0.00 C ATOM 692 C PRO A 46 -10.535 -0.826 -10.036 1.00 0.00 C ATOM 693 O PRO A 46 -11.524 -0.141 -10.295 1.00 0.00 O ATOM 694 CB PRO A 46 -10.350 -2.402 -11.981 1.00 0.00 C ATOM 695 CG PRO A 46 -9.265 -3.280 -12.488 1.00 0.00 C ATOM 696 CD PRO A 46 -8.247 -3.335 -11.386 1.00 0.00 C ATOM 0 HA PRO A 46 -9.373 -0.419 -11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.056 -2.959 -11.365 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.919 -1.961 -12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.643 -4.275 -12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.831 -2.879 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.444 -4.157 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.239 -3.480 -11.776 1.00 0.00 H new ATOM 704 N GLY A 47 -10.205 -1.157 -8.798 1.00 0.00 N ATOM 705 CA GLY A 47 -10.991 -0.705 -7.671 1.00 0.00 C ATOM 706 C GLY A 47 -10.156 0.065 -6.672 1.00 0.00 C ATOM 707 O GLY A 47 -10.428 0.041 -5.478 1.00 0.00 O ATOM 0 H GLY A 47 -9.401 -1.735 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.805 -0.074 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.446 -1.564 -7.178 1.00 0.00 H new ATOM 711 N PHE A 48 -9.115 0.720 -7.156 1.00 0.00 N ATOM 712 CA PHE A 48 -8.257 1.533 -6.304 1.00 0.00 C ATOM 713 C PHE A 48 -8.976 2.803 -5.850 1.00 0.00 C ATOM 714 O PHE A 48 -9.645 3.469 -6.644 1.00 0.00 O ATOM 715 CB PHE A 48 -6.967 1.883 -7.058 1.00 0.00 C ATOM 716 CG PHE A 48 -6.110 2.906 -6.369 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.461 2.608 -5.183 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.950 4.169 -6.918 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.671 3.553 -4.556 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.163 5.116 -6.295 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.523 4.808 -5.114 1.00 0.00 C ATOM 0 H PHE A 48 -8.841 0.706 -8.138 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.007 0.959 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.384 0.973 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.228 2.252 -8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.573 1.628 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.447 4.415 -7.845 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.170 3.310 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.049 6.097 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.906 5.547 -4.625 1.00 0.00 H new ATOM 731 N ILE A 49 -8.852 3.118 -4.565 1.00 0.00 N ATOM 732 CA ILE A 49 -9.466 4.311 -4.005 1.00 0.00 C ATOM 733 C ILE A 49 -8.415 5.351 -3.616 1.00 0.00 C ATOM 734 O ILE A 49 -8.411 6.465 -4.145 1.00 0.00 O ATOM 735 CB ILE A 49 -10.327 3.959 -2.768 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.530 3.112 -3.184 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.781 5.210 -2.027 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.524 3.835 -4.066 1.00 0.00 C ATOM 0 H ILE A 49 -8.329 2.559 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.106 4.736 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.708 3.380 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.172 2.227 -3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.043 2.765 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.383 4.924 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.909 5.770 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.377 5.832 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.346 3.163 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.914 4.705 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.030 4.158 -4.982 1.00 0.00 H new ATOM 750 N GLU A 50 -7.521 4.985 -2.706 1.00 0.00 N ATOM 751 CA GLU A 50 -6.576 5.946 -2.145 1.00 0.00 C ATOM 752 C GLU A 50 -5.437 5.232 -1.424 1.00 0.00 C ATOM 753 O GLU A 50 -5.584 4.091 -1.014 1.00 0.00 O ATOM 754 CB GLU A 50 -7.327 6.870 -1.177 1.00 0.00 C ATOM 755 CG GLU A 50 -6.465 7.920 -0.498 1.00 0.00 C ATOM 756 CD GLU A 50 -7.288 8.861 0.353 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.618 8.503 1.498 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.620 9.962 -0.133 1.00 0.00 O ATOM 0 H GLU A 50 -7.429 4.037 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.138 6.534 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.125 7.373 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.802 6.259 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.717 7.429 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.926 8.491 -1.254 1.00 0.00 H new ATOM 765 N CYS A 51 -4.302 5.895 -1.305 1.00 0.00 N ATOM 766 CA CYS A 51 -3.193 5.388 -0.517 1.00 0.00 C ATOM 767 C CYS A 51 -2.355 6.544 0.011 1.00 0.00 C ATOM 768 O CYS A 51 -1.821 7.345 -0.757 1.00 0.00 O ATOM 769 CB CYS A 51 -2.329 4.436 -1.339 1.00 0.00 C ATOM 770 SG CYS A 51 -1.925 5.041 -2.992 1.00 0.00 S ATOM 0 H CYS A 51 -4.123 6.796 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.599 4.831 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.402 4.246 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.847 3.481 -1.430 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.796 4.588 -3.845 1.00 0.00 H new ATOM 776 N ILE A 52 -2.264 6.644 1.324 1.00 0.00 N ATOM 777 CA ILE A 52 -1.522 7.728 1.948 1.00 0.00 C ATOM 778 C ILE A 52 -0.342 7.217 2.768 1.00 0.00 C ATOM 779 O ILE A 52 -0.481 6.312 3.597 1.00 0.00 O ATOM 780 CB ILE A 52 -2.434 8.609 2.821 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.412 7.744 3.618 1.00 0.00 C ATOM 782 CG2 ILE A 52 -3.179 9.600 1.943 1.00 0.00 C ATOM 783 CD1 ILE A 52 -4.180 8.506 4.678 1.00 0.00 C ATOM 0 H ILE A 52 -2.693 5.990 1.979 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.127 8.339 1.136 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.821 9.163 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.121 7.285 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.860 6.934 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.824 10.222 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.462 10.231 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.786 9.059 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.852 7.825 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.480 8.943 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.761 9.299 4.207 1.00 0.00 H new ATOM 795 N PRO A 53 0.842 7.797 2.527 1.00 0.00 N ATOM 796 CA PRO A 53 2.080 7.399 3.188 1.00 0.00 C ATOM 797 C PRO A 53 2.283 8.097 4.533 1.00 0.00 C ATOM 798 O PRO A 53 2.018 9.292 4.677 1.00 0.00 O ATOM 799 CB PRO A 53 3.145 7.840 2.189 1.00 0.00 C ATOM 800 CG PRO A 53 2.566 9.040 1.511 1.00 0.00 C ATOM 801 CD PRO A 53 1.064 8.905 1.579 1.00 0.00 C ATOM 0 HA PRO A 53 2.098 6.336 3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.081 8.084 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.365 7.049 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.893 9.956 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.901 9.097 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.597 9.826 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.640 8.682 0.600 1.00 0.00 H new ATOM 809 N ALA A 54 2.759 7.346 5.515 1.00 0.00 N ATOM 810 CA ALA A 54 2.997 7.886 6.846 1.00 0.00 C ATOM 811 C ALA A 54 4.428 7.608 7.300 1.00 0.00 C ATOM 812 O ALA A 54 4.654 7.133 8.414 1.00 0.00 O ATOM 813 CB ALA A 54 1.993 7.311 7.835 1.00 0.00 C ATOM 0 H ALA A 54 2.989 6.357 5.415 1.00 0.00 H new ATOM 0 HA ALA A 54 2.864 8.967 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.182 7.723 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.982 7.571 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.095 6.226 7.867 1.00 0.00 H new ATOM 819 N PHE A 55 5.380 7.863 6.399 1.00 0.00 N ATOM 820 CA PHE A 55 6.822 7.772 6.690 1.00 0.00 C ATOM 821 C PHE A 55 7.305 6.326 6.843 1.00 0.00 C ATOM 822 O PHE A 55 8.391 5.986 6.389 1.00 0.00 O ATOM 823 CB PHE A 55 7.189 8.585 7.938 1.00 0.00 C ATOM 824 CG PHE A 55 8.660 8.564 8.253 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.564 9.233 7.442 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.139 7.877 9.358 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.915 9.218 7.725 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.491 7.859 9.644 1.00 0.00 C ATOM 829 CZ PHE A 55 11.379 8.531 8.827 1.00 0.00 C ATOM 0 H PHE A 55 5.176 8.141 5.439 1.00 0.00 H new ATOM 0 HA PHE A 55 7.333 8.197 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.870 9.618 7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.636 8.195 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.206 9.773 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.449 7.351 10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.608 9.744 7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.853 7.319 10.507 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.435 8.518 9.051 1.00 0.00 H new ATOM 839 N THR A 56 6.515 5.486 7.488 1.00 0.00 N ATOM 840 CA THR A 56 6.880 4.090 7.669 1.00 0.00 C ATOM 841 C THR A 56 5.689 3.167 7.406 1.00 0.00 C ATOM 842 O THR A 56 5.861 1.971 7.167 1.00 0.00 O ATOM 843 CB THR A 56 7.446 3.841 9.088 1.00 0.00 C ATOM 844 OG1 THR A 56 7.717 2.446 9.289 1.00 0.00 O ATOM 845 CG2 THR A 56 6.480 4.335 10.157 1.00 0.00 C ATOM 0 H THR A 56 5.617 5.745 7.896 1.00 0.00 H new ATOM 0 HA THR A 56 7.659 3.861 6.942 1.00 0.00 H new ATOM 0 HB THR A 56 8.378 4.400 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.075 2.309 10.191 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.903 4.148 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.314 5.405 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.531 3.807 10.062 1.00 0.00 H new ATOM 853 N SER A 57 4.486 3.723 7.439 1.00 0.00 N ATOM 854 CA SER A 57 3.284 2.944 7.192 1.00 0.00 C ATOM 855 C SER A 57 2.515 3.492 5.994 1.00 0.00 C ATOM 856 O SER A 57 2.441 4.700 5.787 1.00 0.00 O ATOM 857 CB SER A 57 2.407 2.935 8.445 1.00 0.00 C ATOM 858 OG SER A 57 2.338 4.226 9.025 1.00 0.00 O ATOM 0 H SER A 57 4.318 4.710 7.634 1.00 0.00 H new ATOM 0 HA SER A 57 3.573 1.919 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.404 2.593 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.809 2.228 9.170 1.00 0.00 H new ATOM 0 HG SER A 57 1.771 4.196 9.823 1.00 0.00 H new ATOM 864 N LEU A 58 1.978 2.592 5.192 1.00 0.00 N ATOM 865 CA LEU A 58 1.205 2.962 4.025 1.00 0.00 C ATOM 866 C LEU A 58 -0.261 2.645 4.272 1.00 0.00 C ATOM 867 O LEU A 58 -0.621 1.493 4.524 1.00 0.00 O ATOM 868 CB LEU A 58 1.708 2.202 2.795 1.00 0.00 C ATOM 869 CG LEU A 58 1.063 2.589 1.463 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.431 4.015 1.078 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.490 1.614 0.381 1.00 0.00 C ATOM 0 H LEU A 58 2.066 1.586 5.332 1.00 0.00 H new ATOM 0 HA LEU A 58 1.318 4.030 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.784 2.353 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.547 1.136 2.959 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.020 2.541 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.961 4.268 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.082 4.702 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.514 4.098 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.027 1.895 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.575 1.639 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.175 0.607 0.654 1.00 0.00 H new ATOM 883 N THR A 59 -1.094 3.663 4.222 1.00 0.00 N ATOM 884 CA THR A 59 -2.515 3.486 4.444 1.00 0.00 C ATOM 885 C THR A 59 -3.222 3.322 3.102 1.00 0.00 C ATOM 886 O THR A 59 -3.380 4.288 2.356 1.00 0.00 O ATOM 887 CB THR A 59 -3.086 4.699 5.195 1.00 0.00 C ATOM 888 OG1 THR A 59 -2.134 5.152 6.170 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.392 4.346 5.890 1.00 0.00 C ATOM 0 H THR A 59 -0.812 4.624 4.029 1.00 0.00 H new ATOM 0 HA THR A 59 -2.677 2.593 5.048 1.00 0.00 H new ATOM 0 HB THR A 59 -3.283 5.489 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.498 5.927 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.774 5.222 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.122 4.019 5.149 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.218 3.543 6.606 1.00 0.00 H new ATOM 897 N VAL A 60 -3.634 2.102 2.797 1.00 0.00 N ATOM 898 CA VAL A 60 -4.187 1.786 1.489 1.00 0.00 C ATOM 899 C VAL A 60 -5.699 1.613 1.549 1.00 0.00 C ATOM 900 O VAL A 60 -6.225 0.820 2.329 1.00 0.00 O ATOM 901 CB VAL A 60 -3.540 0.512 0.901 1.00 0.00 C ATOM 902 CG1 VAL A 60 -4.095 0.193 -0.481 1.00 0.00 C ATOM 903 CG2 VAL A 60 -2.031 0.669 0.841 1.00 0.00 C ATOM 0 H VAL A 60 -3.596 1.311 3.440 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.960 2.629 0.836 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.785 -0.322 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.618 -0.709 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.171 0.034 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.893 1.025 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.587 -0.235 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.779 1.521 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.642 0.835 1.846 1.00 0.00 H new ATOM 913 N PHE A 61 -6.381 2.369 0.715 1.00 0.00 N ATOM 914 CA PHE A 61 -7.823 2.327 0.610 1.00 0.00 C ATOM 915 C PHE A 61 -8.212 1.863 -0.785 1.00 0.00 C ATOM 916 O PHE A 61 -7.535 2.175 -1.767 1.00 0.00 O ATOM 917 CB PHE A 61 -8.410 3.712 0.865 1.00 0.00 C ATOM 918 CG PHE A 61 -8.101 4.282 2.217 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.907 4.952 2.449 1.00 0.00 C ATOM 920 CD2 PHE A 61 -9.012 4.170 3.252 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.635 5.493 3.686 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.742 4.707 4.492 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.553 5.370 4.708 1.00 0.00 C ATOM 0 H PHE A 61 -5.943 3.039 0.083 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.214 1.633 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -8.037 4.396 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.492 3.661 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.185 5.050 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.947 3.655 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.704 6.013 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.460 4.609 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.340 5.794 5.678 1.00 0.00 H new ATOM 933 N TYR A 62 -9.310 1.146 -0.877 1.00 0.00 N ATOM 934 CA TYR A 62 -9.721 0.542 -2.132 1.00 0.00 C ATOM 935 C TYR A 62 -11.167 0.100 -2.053 1.00 0.00 C ATOM 936 O TYR A 62 -11.778 0.118 -0.985 1.00 0.00 O ATOM 937 CB TYR A 62 -8.822 -0.648 -2.477 1.00 0.00 C ATOM 938 CG TYR A 62 -8.483 -1.495 -1.284 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.457 -2.231 -0.635 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.187 -1.538 -0.792 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.148 -2.988 0.470 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.874 -2.298 0.311 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.862 -3.020 0.936 1.00 0.00 C ATOM 944 OH TYR A 62 -7.566 -3.777 2.035 1.00 0.00 O ATOM 0 H TYR A 62 -9.939 0.964 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.624 1.288 -2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.319 -1.266 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.900 -0.281 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.473 -2.211 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.412 -0.967 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.919 -3.556 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.860 -2.327 0.683 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.295 -3.707 2.686 1.00 0.00 H new ATOM 954 N ASP A 63 -11.698 -0.285 -3.190 1.00 0.00 N ATOM 955 CA ASP A 63 -13.078 -0.678 -3.292 1.00 0.00 C ATOM 956 C ASP A 63 -13.174 -2.192 -3.314 1.00 0.00 C ATOM 957 O ASP A 63 -12.816 -2.844 -4.299 1.00 0.00 O ATOM 958 CB ASP A 63 -13.697 -0.091 -4.553 1.00 0.00 C ATOM 959 CG ASP A 63 -15.180 0.164 -4.391 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.883 -0.710 -3.839 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.650 1.243 -4.812 1.00 0.00 O ATOM 0 H ASP A 63 -11.183 -0.333 -4.069 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.625 -0.299 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.194 0.843 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.536 -0.773 -5.388 1.00 0.00 H new ATOM 966 N MET A 64 -13.656 -2.742 -2.217 1.00 0.00 N ATOM 967 CA MET A 64 -13.746 -4.185 -2.037 1.00 0.00 C ATOM 968 C MET A 64 -14.675 -4.823 -3.067 1.00 0.00 C ATOM 969 O MET A 64 -14.577 -6.020 -3.337 1.00 0.00 O ATOM 970 CB MET A 64 -14.224 -4.520 -0.619 1.00 0.00 C ATOM 971 CG MET A 64 -15.571 -3.907 -0.272 1.00 0.00 C ATOM 972 SD MET A 64 -15.493 -2.110 -0.108 1.00 0.00 S ATOM 973 CE MET A 64 -17.193 -1.661 -0.427 1.00 0.00 C ATOM 0 H MET A 64 -13.998 -2.203 -1.421 1.00 0.00 H new ATOM 0 HA MET A 64 -12.748 -4.597 -2.184 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.288 -5.603 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.480 -4.173 0.098 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.294 -4.167 -1.045 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.933 -4.338 0.661 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.302 -0.578 -0.361 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.476 -1.994 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.839 -2.136 0.311 1.00 0.00 H new ATOM 983 N TYR A 65 -15.559 -4.025 -3.657 1.00 0.00 N ATOM 984 CA TYR A 65 -16.506 -4.539 -4.639 1.00 0.00 C ATOM 985 C TYR A 65 -15.765 -5.009 -5.892 1.00 0.00 C ATOM 986 O TYR A 65 -16.211 -5.922 -6.587 1.00 0.00 O ATOM 987 CB TYR A 65 -17.551 -3.463 -5.004 1.00 0.00 C ATOM 988 CG TYR A 65 -17.324 -2.803 -6.353 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.287 -1.900 -6.549 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.141 -3.099 -7.438 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.065 -1.318 -7.779 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.928 -2.515 -8.671 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.889 -1.627 -8.836 1.00 0.00 C ATOM 994 OH TYR A 65 -16.664 -1.051 -10.065 1.00 0.00 O ATOM 0 H TYR A 65 -15.639 -3.025 -3.473 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.029 -5.389 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.541 -3.918 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.549 -2.694 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.641 -1.649 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.956 -3.797 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.249 -0.623 -7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.574 -2.754 -9.503 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.922 -1.510 -10.510 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.615 -4.398 -6.164 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.909 -4.654 -7.405 1.00 0.00 C ATOM 1006 C GLU A 66 -12.943 -5.798 -7.199 1.00 0.00 C ATOM 1007 O GLU A 66 -12.775 -6.663 -8.056 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.154 -3.409 -7.869 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.822 -3.417 -9.351 1.00 0.00 C ATOM 1010 CD GLU A 66 -14.043 -3.186 -10.220 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -14.805 -4.143 -10.454 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -14.250 -2.037 -10.669 1.00 0.00 O ATOM 0 H GLU A 66 -14.159 -3.728 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.633 -4.916 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.753 -2.526 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.229 -3.321 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.081 -2.645 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.369 -4.373 -9.613 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.320 -5.802 -6.032 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.380 -6.842 -5.683 1.00 0.00 C ATOM 1021 C VAL A 67 -12.115 -8.169 -5.528 1.00 0.00 C ATOM 1022 O VAL A 67 -11.567 -9.220 -5.809 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.606 -6.488 -4.393 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.123 -5.048 -4.459 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.450 -6.712 -3.149 1.00 0.00 C ATOM 0 H VAL A 67 -12.452 -5.092 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.649 -6.933 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.745 -7.153 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.578 -4.805 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.465 -4.924 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.979 -4.381 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.870 -6.452 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.341 -6.086 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.746 -7.760 -3.094 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.375 -8.086 -5.100 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.269 -9.238 -4.990 1.00 0.00 C ATOM 1037 C TYR A 68 -14.445 -9.952 -6.334 1.00 0.00 C ATOM 1038 O TYR A 68 -14.712 -11.151 -6.378 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.623 -8.771 -4.438 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.721 -9.815 -4.463 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.634 -10.970 -3.695 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.851 -9.635 -5.250 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.644 -11.915 -3.713 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.863 -10.575 -5.274 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.755 -11.713 -4.506 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.767 -12.646 -4.521 1.00 0.00 O ATOM 0 H TYR A 68 -13.808 -7.207 -4.817 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.824 -9.960 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.483 -8.437 -3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.953 -7.905 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.765 -11.132 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.940 -8.744 -5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.563 -12.807 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.735 -10.418 -5.892 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.475 -12.351 -5.130 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.287 -9.219 -7.428 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.353 -9.820 -8.752 1.00 0.00 C ATOM 1058 C LYS A 69 -13.077 -10.606 -9.028 1.00 0.00 C ATOM 1059 O LYS A 69 -13.068 -11.565 -9.802 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.545 -8.748 -9.820 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.867 -8.858 -10.566 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.049 -8.481 -9.687 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.086 -6.985 -9.425 1.00 0.00 C ATOM 1064 NZ LYS A 69 -18.228 -6.599 -8.559 1.00 0.00 N ATOM 0 H LYS A 69 -14.113 -8.214 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.207 -10.497 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.483 -7.766 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.727 -8.811 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.845 -8.209 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.995 -9.878 -10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.977 -8.791 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.986 -9.017 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.153 -6.677 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.155 -6.453 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.774 -5.844 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.841 -7.425 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.870 -6.257 -7.644 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.004 -10.188 -8.370 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.700 -10.808 -8.532 1.00 0.00 C ATOM 1080 C HIS A 70 -10.525 -11.941 -7.517 1.00 0.00 C ATOM 1081 O HIS A 70 -9.866 -12.933 -7.819 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.606 -9.747 -8.357 1.00 0.00 C ATOM 1083 CG HIS A 70 -8.208 -10.226 -8.612 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.625 -10.202 -9.855 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -7.265 -10.708 -7.768 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -6.383 -10.639 -9.767 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -6.134 -10.953 -8.509 1.00 0.00 N ATOM 0 H HIS A 70 -12.015 -9.410 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.621 -11.234 -9.532 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.817 -8.916 -9.030 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.660 -9.356 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.381 -10.870 -6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.686 -10.725 -10.588 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.252 -11.316 -8.148 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.128 -11.739 -6.327 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.108 -12.668 -5.182 1.00 0.00 C ATOM 1098 C LEU A 71 -10.841 -14.115 -5.591 1.00 0.00 C ATOM 1099 O LEU A 71 -11.761 -14.866 -5.916 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.439 -12.593 -4.416 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.404 -11.897 -3.039 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.683 -12.747 -2.000 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.745 -10.536 -3.131 1.00 0.00 C ATOM 0 H LEU A 71 -11.662 -10.892 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.283 -12.353 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.164 -12.073 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.809 -13.609 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.439 -11.768 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.678 -12.225 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.198 -13.702 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.657 -12.923 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.735 -10.069 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.722 -10.651 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.304 -9.907 -3.824 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.565 -14.508 -5.589 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.135 -15.854 -5.964 1.00 0.00 C ATOM 1117 C PRO A 72 -9.477 -16.874 -4.887 1.00 0.00 C ATOM 1118 O PRO A 72 -9.463 -16.557 -3.696 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.609 -15.714 -6.113 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.345 -14.241 -6.080 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.427 -13.662 -5.235 1.00 0.00 C ATOM 0 HA PRO A 72 -9.628 -16.210 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.086 -16.226 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.262 -16.155 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.362 -14.028 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.361 -13.817 -7.084 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.191 -13.718 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.610 -12.613 -5.466 1.00 0.00 H new ATOM 1129 N GLN A 73 -9.782 -18.093 -5.303 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.146 -19.144 -4.365 1.00 0.00 C ATOM 1131 C GLN A 73 -8.932 -19.557 -3.546 1.00 0.00 C ATOM 1132 O GLN A 73 -7.999 -20.185 -4.051 1.00 0.00 O ATOM 1133 CB GLN A 73 -10.745 -20.337 -5.103 1.00 0.00 C ATOM 1134 CG GLN A 73 -11.983 -19.970 -5.906 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.088 -19.378 -5.048 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -13.230 -19.712 -3.872 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.872 -18.481 -5.626 1.00 0.00 N ATOM 0 H GLN A 73 -9.785 -18.379 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.904 -18.761 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.995 -20.759 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.002 -21.113 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.709 -19.255 -6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.359 -20.859 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.724 -18.229 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.624 -18.042 -5.094 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.965 -19.185 -2.283 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.820 -19.318 -1.411 1.00 0.00 C ATOM 1148 C GLY A 74 -7.643 -18.036 -0.639 1.00 0.00 C ATOM 1149 O GLY A 74 -7.174 -18.026 0.498 1.00 0.00 O ATOM 0 H GLY A 74 -9.787 -18.782 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.963 -20.154 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.925 -19.533 -1.994 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.042 -16.953 -1.287 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.139 -15.649 -0.666 1.00 0.00 C ATOM 1155 C ILE A 75 -9.500 -15.532 0.000 1.00 0.00 C ATOM 1156 O ILE A 75 -10.525 -15.454 -0.676 1.00 0.00 O ATOM 1157 CB ILE A 75 -7.987 -14.544 -1.728 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -6.671 -14.724 -2.491 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.063 -13.168 -1.089 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.451 -14.229 -1.747 1.00 0.00 C ATOM 0 H ILE A 75 -8.310 -16.959 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.346 -15.533 0.073 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.810 -14.626 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.539 -15.781 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.741 -14.197 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.953 -12.403 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.027 -13.049 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.263 -13.063 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.562 -14.393 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.558 -13.164 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.353 -14.772 -0.807 1.00 0.00 H new ATOM 1172 N SER A 76 -9.517 -15.562 1.318 1.00 0.00 N ATOM 1173 CA SER A 76 -10.768 -15.547 2.052 1.00 0.00 C ATOM 1174 C SER A 76 -11.189 -14.116 2.357 1.00 0.00 C ATOM 1175 O SER A 76 -12.293 -13.867 2.845 1.00 0.00 O ATOM 1176 CB SER A 76 -10.614 -16.353 3.345 1.00 0.00 C ATOM 1177 OG SER A 76 -11.829 -16.410 4.077 1.00 0.00 O ATOM 0 H SER A 76 -8.681 -15.597 1.902 1.00 0.00 H new ATOM 0 HA SER A 76 -11.546 -16.004 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.285 -17.364 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.837 -15.903 3.964 1.00 0.00 H new ATOM 0 HG SER A 76 -12.354 -15.601 3.904 1.00 0.00 H new ATOM 1183 N SER A 77 -10.317 -13.172 2.044 1.00 0.00 N ATOM 1184 CA SER A 77 -10.544 -11.790 2.411 1.00 0.00 C ATOM 1185 C SER A 77 -10.243 -10.822 1.268 1.00 0.00 C ATOM 1186 O SER A 77 -9.196 -10.909 0.632 1.00 0.00 O ATOM 1187 CB SER A 77 -9.671 -11.449 3.604 1.00 0.00 C ATOM 1188 OG SER A 77 -10.047 -12.196 4.751 1.00 0.00 O ATOM 0 H SER A 77 -9.448 -13.340 1.537 1.00 0.00 H new ATOM 0 HA SER A 77 -11.601 -11.681 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.627 -11.651 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.748 -10.383 3.820 1.00 0.00 H new ATOM 0 HG SER A 77 -9.466 -11.956 5.503 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.173 -9.883 1.003 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.978 -8.790 0.038 1.00 0.00 C ATOM 1196 C PRO A 78 -9.603 -8.139 0.142 1.00 0.00 C ATOM 1197 O PRO A 78 -8.864 -8.072 -0.840 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.065 -7.797 0.446 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.176 -8.658 0.930 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.523 -9.837 1.607 1.00 0.00 C ATOM 0 HA PRO A 78 -11.038 -9.137 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.715 -7.121 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.377 -7.179 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.817 -8.115 1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.807 -8.983 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.474 -9.702 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.075 -10.759 1.426 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.269 -7.671 1.340 1.00 0.00 N ATOM 1209 CA PHE A 79 -7.991 -7.007 1.590 1.00 0.00 C ATOM 1210 C PHE A 79 -6.802 -7.906 1.226 1.00 0.00 C ATOM 1211 O PHE A 79 -5.756 -7.422 0.801 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.917 -6.573 3.059 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.090 -7.454 3.954 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.627 -8.597 4.527 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.773 -7.125 4.234 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.863 -9.394 5.358 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.007 -7.915 5.062 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.550 -9.052 5.626 1.00 0.00 C ATOM 0 H PHE A 79 -9.871 -7.740 2.161 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.931 -6.126 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.513 -5.561 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.930 -6.529 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.652 -8.867 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.342 -6.237 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.291 -10.283 5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.982 -7.645 5.270 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.951 -9.673 6.275 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.984 -9.214 1.371 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.911 -10.171 1.140 1.00 0.00 C ATOM 1230 C GLU A 80 -5.618 -10.314 -0.354 1.00 0.00 C ATOM 1231 O GLU A 80 -4.492 -10.614 -0.748 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.281 -11.525 1.749 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.251 -12.614 1.507 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.683 -13.956 2.057 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -6.893 -14.266 2.003 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -4.815 -14.704 2.549 1.00 0.00 O ATOM 0 H GLU A 80 -7.870 -9.636 1.649 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.006 -9.802 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.420 -11.403 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.238 -11.847 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.069 -12.706 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.306 -12.324 1.967 1.00 0.00 H new ATOM 1243 N SER A 81 -6.625 -10.070 -1.182 1.00 0.00 N ATOM 1244 CA SER A 81 -6.449 -10.154 -2.622 1.00 0.00 C ATOM 1245 C SER A 81 -5.649 -8.949 -3.085 1.00 0.00 C ATOM 1246 O SER A 81 -4.802 -9.039 -3.973 1.00 0.00 O ATOM 1247 CB SER A 81 -7.811 -10.203 -3.326 1.00 0.00 C ATOM 1248 OG SER A 81 -7.665 -10.337 -4.728 1.00 0.00 O ATOM 0 H SER A 81 -7.566 -9.814 -0.882 1.00 0.00 H new ATOM 0 HA SER A 81 -5.911 -11.068 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.393 -11.039 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.370 -9.295 -3.102 1.00 0.00 H new ATOM 0 HG SER A 81 -8.550 -10.367 -5.148 1.00 0.00 H new ATOM 1254 N VAL A 82 -5.910 -7.829 -2.428 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.233 -6.576 -2.711 1.00 0.00 C ATOM 1256 C VAL A 82 -3.757 -6.671 -2.354 1.00 0.00 C ATOM 1257 O VAL A 82 -2.915 -6.026 -2.978 1.00 0.00 O ATOM 1258 CB VAL A 82 -5.861 -5.436 -1.898 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.237 -4.104 -2.264 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.366 -5.414 -2.092 1.00 0.00 C ATOM 0 H VAL A 82 -6.601 -7.765 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.338 -6.373 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.660 -5.613 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.699 -3.312 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.167 -4.134 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.396 -3.907 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.796 -4.600 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.595 -5.265 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.790 -6.362 -1.760 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.457 -7.484 -1.343 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.087 -7.685 -0.897 1.00 0.00 C ATOM 1272 C LYS A 83 -1.210 -8.068 -2.074 1.00 0.00 C ATOM 1273 O LYS A 83 -0.154 -7.495 -2.292 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.027 -8.780 0.163 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.689 -8.405 1.474 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.509 -9.488 2.525 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.080 -9.564 3.052 1.00 0.00 C ATOM 1278 NZ LYS A 83 -0.168 -10.299 2.137 1.00 0.00 N ATOM 0 H LYS A 83 -4.151 -8.015 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.724 -6.753 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.504 -9.678 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.983 -9.031 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.267 -7.469 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.752 -8.232 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.189 -9.299 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.787 -10.452 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.699 -8.554 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.082 -10.053 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.802 -9.944 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.195 -11.314 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.472 -10.154 1.153 1.00 0.00 H new ATOM 1292 N ARG A 84 -1.713 -8.994 -2.864 1.00 0.00 N ATOM 1293 CA ARG A 84 -0.974 -9.546 -3.990 1.00 0.00 C ATOM 1294 C ARG A 84 -0.643 -8.444 -4.985 1.00 0.00 C ATOM 1295 O ARG A 84 0.467 -8.364 -5.505 1.00 0.00 O ATOM 1296 CB ARG A 84 -1.805 -10.631 -4.680 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.503 -11.574 -3.713 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.508 -12.261 -2.794 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.161 -13.137 -1.830 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.694 -13.372 -0.604 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.596 -12.752 -0.179 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.320 -14.225 0.197 1.00 0.00 N ATOM 0 H ARG A 84 -2.646 -9.388 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.047 -9.986 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.554 -10.155 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.156 -11.212 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.226 -11.017 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.061 -12.324 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.805 -12.842 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.927 -11.507 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.027 -13.598 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.111 -12.096 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.239 -12.932 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.161 -14.703 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.960 -14.402 1.135 1.00 0.00 H new ATOM 1316 N ASP A 85 -1.621 -7.581 -5.212 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.494 -6.493 -6.162 1.00 0.00 C ATOM 1318 C ASP A 85 -0.529 -5.426 -5.666 1.00 0.00 C ATOM 1319 O ASP A 85 0.240 -4.862 -6.448 1.00 0.00 O ATOM 1320 CB ASP A 85 -2.867 -5.872 -6.434 1.00 0.00 C ATOM 1321 CG ASP A 85 -3.740 -6.778 -7.278 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -3.567 -6.788 -8.514 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -4.591 -7.493 -6.711 1.00 0.00 O ATOM 0 H ASP A 85 -2.525 -7.617 -4.741 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.091 -6.904 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.366 -5.666 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.739 -4.916 -6.941 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.565 -5.149 -4.371 1.00 0.00 N ATOM 1329 CA VAL A 86 0.246 -4.080 -3.813 1.00 0.00 C ATOM 1330 C VAL A 86 1.650 -4.550 -3.430 1.00 0.00 C ATOM 1331 O VAL A 86 2.618 -3.924 -3.821 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.442 -3.391 -2.609 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.770 -2.800 -3.039 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.636 -4.345 -1.440 1.00 0.00 C ATOM 0 H VAL A 86 -1.142 -5.646 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 86 0.350 -3.342 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 86 0.214 -2.591 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.247 -2.317 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.603 -2.064 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.416 -3.593 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.122 -3.819 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.259 -5.183 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.334 -4.718 -1.110 1.00 0.00 H new ATOM 1344 N GLU A 87 1.754 -5.656 -2.695 1.00 0.00 N ATOM 1345 CA GLU A 87 3.029 -6.149 -2.170 1.00 0.00 C ATOM 1346 C GLU A 87 4.098 -6.279 -3.247 1.00 0.00 C ATOM 1347 O GLU A 87 5.214 -5.781 -3.081 1.00 0.00 O ATOM 1348 CB GLU A 87 2.829 -7.494 -1.461 1.00 0.00 C ATOM 1349 CG GLU A 87 1.922 -7.405 -0.242 1.00 0.00 C ATOM 1350 CD GLU A 87 1.648 -8.751 0.404 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.958 -9.595 -0.216 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.068 -8.956 1.560 1.00 0.00 O ATOM 0 H GLU A 87 0.955 -6.238 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 87 3.384 -5.407 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.407 -8.209 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.800 -7.883 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.378 -6.743 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.975 -6.951 -0.535 1.00 0.00 H new ATOM 1359 N GLU A 88 3.769 -6.924 -4.354 1.00 0.00 N ATOM 1360 CA GLU A 88 4.754 -7.110 -5.414 1.00 0.00 C ATOM 1361 C GLU A 88 5.135 -5.768 -6.045 1.00 0.00 C ATOM 1362 O GLU A 88 6.210 -5.621 -6.602 1.00 0.00 O ATOM 1363 CB GLU A 88 4.257 -8.086 -6.485 1.00 0.00 C ATOM 1364 CG GLU A 88 3.049 -7.595 -7.262 1.00 0.00 C ATOM 1365 CD GLU A 88 2.893 -8.306 -8.593 1.00 0.00 C ATOM 1366 OE1 GLU A 88 3.805 -8.185 -9.439 1.00 0.00 O ATOM 1367 OE2 GLU A 88 1.863 -8.978 -8.807 1.00 0.00 O ATOM 0 H GLU A 88 2.849 -7.321 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 88 5.644 -7.545 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.069 -8.284 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.008 -9.034 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.150 -7.745 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.142 -6.523 -7.434 1.00 0.00 H new ATOM 1374 N ARG A 89 4.252 -4.793 -5.965 1.00 0.00 N ATOM 1375 CA ARG A 89 4.567 -3.449 -6.440 1.00 0.00 C ATOM 1376 C ARG A 89 5.224 -2.607 -5.367 1.00 0.00 C ATOM 1377 O ARG A 89 5.876 -1.615 -5.669 1.00 0.00 O ATOM 1378 CB ARG A 89 3.320 -2.738 -6.931 1.00 0.00 C ATOM 1379 CG ARG A 89 3.226 -2.717 -8.437 1.00 0.00 C ATOM 1380 CD ARG A 89 3.184 -4.126 -8.981 1.00 0.00 C ATOM 1381 NE ARG A 89 1.872 -4.734 -8.773 1.00 0.00 N ATOM 1382 CZ ARG A 89 1.313 -5.617 -9.597 1.00 0.00 C ATOM 1383 NH1 ARG A 89 1.943 -5.993 -10.704 1.00 0.00 N ATOM 1384 NH2 ARG A 89 0.122 -6.123 -9.308 1.00 0.00 N ATOM 0 H ARG A 89 3.314 -4.899 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 89 5.268 -3.570 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.439 -3.231 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.316 -1.715 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.332 -2.175 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.081 -2.185 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.418 -4.115 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.949 -4.730 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 89 1.349 -4.463 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.860 -5.605 -10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.510 -6.670 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.362 -5.835 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.311 -6.800 -9.936 1.00 0.00 H new ATOM 1398 N LEU A 90 5.049 -3.016 -4.125 1.00 0.00 N ATOM 1399 CA LEU A 90 5.356 -2.165 -2.985 1.00 0.00 C ATOM 1400 C LEU A 90 6.771 -1.612 -3.035 1.00 0.00 C ATOM 1401 O LEU A 90 6.951 -0.418 -3.263 1.00 0.00 O ATOM 1402 CB LEU A 90 5.121 -2.913 -1.671 1.00 0.00 C ATOM 1403 CG LEU A 90 3.675 -2.955 -1.187 1.00 0.00 C ATOM 1404 CD1 LEU A 90 3.612 -3.580 0.192 1.00 0.00 C ATOM 1405 CD2 LEU A 90 3.071 -1.556 -1.166 1.00 0.00 C ATOM 0 H LEU A 90 4.693 -3.939 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 90 4.677 -1.314 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.476 -3.937 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.732 -2.450 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 90 3.093 -3.563 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.577 -3.607 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.007 -4.595 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.207 -2.988 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.040 -1.610 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.648 -0.921 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.093 -1.135 -2.171 1.00 0.00 H new ATOM 1417 N ALA A 91 7.786 -2.438 -2.809 1.00 0.00 N ATOM 1418 CA ALA A 91 9.141 -1.923 -2.951 1.00 0.00 C ATOM 1419 C ALA A 91 9.711 -2.160 -4.355 1.00 0.00 C ATOM 1420 O ALA A 91 9.745 -1.249 -5.182 1.00 0.00 O ATOM 1421 CB ALA A 91 10.038 -2.556 -1.899 1.00 0.00 C ATOM 0 H ALA A 91 7.706 -3.419 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 91 9.104 -0.844 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.052 -2.170 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.660 -2.314 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.046 -3.638 -2.031 1.00 0.00 H new ATOM 1427 N GLU A 92 10.152 -3.393 -4.616 1.00 0.00 N ATOM 1428 CA GLU A 92 10.535 -3.824 -5.958 1.00 0.00 C ATOM 1429 C GLU A 92 9.479 -4.715 -6.589 1.00 0.00 C ATOM 1430 O GLU A 92 8.876 -4.382 -7.604 1.00 0.00 O ATOM 1431 CB GLU A 92 11.881 -4.551 -5.934 1.00 0.00 C ATOM 1432 CG GLU A 92 13.072 -3.622 -5.766 1.00 0.00 C ATOM 1433 CD GLU A 92 13.138 -2.575 -6.863 1.00 0.00 C ATOM 1434 OE1 GLU A 92 13.463 -2.928 -8.015 1.00 0.00 O ATOM 1435 OE2 GLU A 92 12.856 -1.395 -6.585 1.00 0.00 O ATOM 0 H GLU A 92 10.253 -4.117 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 92 10.626 -2.925 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.878 -5.276 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.997 -5.113 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.012 -3.127 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.991 -4.208 -5.768 1.00 0.00 H new ATOM 1442 N ILE A 93 9.243 -5.827 -5.885 1.00 0.00 N ATOM 1443 CA ILE A 93 8.542 -7.014 -6.371 1.00 0.00 C ATOM 1444 C ILE A 93 8.503 -8.010 -5.226 1.00 0.00 C ATOM 1445 O ILE A 93 9.034 -9.113 -5.320 1.00 0.00 O ATOM 1446 CB ILE A 93 9.196 -7.705 -7.608 1.00 0.00 C ATOM 1447 CG1 ILE A 93 10.700 -7.908 -7.392 1.00 0.00 C ATOM 1448 CG2 ILE A 93 8.916 -6.950 -8.902 1.00 0.00 C ATOM 1449 CD1 ILE A 93 11.434 -8.429 -8.611 1.00 0.00 C ATOM 0 H ILE A 93 9.550 -5.926 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 93 7.556 -6.690 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 93 8.735 -8.687 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.145 -6.959 -7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.847 -8.605 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.391 -7.468 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.840 -6.902 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.317 -5.939 -8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.492 -8.545 -8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.018 -9.394 -8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.320 -7.723 -9.434 1.00 0.00 H new ATOM 1461 N ALA A 94 7.916 -7.584 -4.116 1.00 0.00 N ATOM 1462 CA ALA A 94 7.801 -8.424 -2.922 1.00 0.00 C ATOM 1463 C ALA A 94 6.812 -9.570 -3.122 1.00 0.00 C ATOM 1464 O ALA A 94 5.976 -9.854 -2.269 1.00 0.00 O ATOM 1465 CB ALA A 94 7.396 -7.584 -1.739 1.00 0.00 C ATOM 0 H ALA A 94 7.508 -6.655 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 94 8.779 -8.868 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.313 -8.216 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.148 -6.814 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.434 -7.113 -1.940 1.00 0.00 H new ATOM 1471 N GLU A 95 6.943 -10.217 -4.256 1.00 0.00 N ATOM 1472 CA GLU A 95 6.158 -11.388 -4.608 1.00 0.00 C ATOM 1473 C GLU A 95 6.381 -12.489 -3.582 1.00 0.00 C ATOM 1474 O GLU A 95 5.472 -13.247 -3.249 1.00 0.00 O ATOM 1475 CB GLU A 95 6.577 -11.879 -5.995 1.00 0.00 C ATOM 1476 CG GLU A 95 8.067 -12.188 -6.094 1.00 0.00 C ATOM 1477 CD GLU A 95 8.468 -12.712 -7.453 1.00 0.00 C ATOM 1478 OE1 GLU A 95 8.820 -11.901 -8.329 1.00 0.00 O ATOM 1479 OE2 GLU A 95 8.444 -13.946 -7.646 1.00 0.00 O ATOM 0 H GLU A 95 7.610 -9.943 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 95 5.100 -11.125 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.009 -12.775 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.319 -11.122 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.636 -11.284 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.332 -12.923 -5.334 1.00 0.00 H new ATOM 1486 N ASP A 96 7.609 -12.556 -3.085 1.00 0.00 N ATOM 1487 CA ASP A 96 7.993 -13.546 -2.073 1.00 0.00 C ATOM 1488 C ASP A 96 7.184 -13.378 -0.787 1.00 0.00 C ATOM 1489 O ASP A 96 7.029 -14.313 -0.001 1.00 0.00 O ATOM 1490 CB ASP A 96 9.491 -13.431 -1.762 1.00 0.00 C ATOM 1491 CG ASP A 96 9.971 -14.468 -0.762 1.00 0.00 C ATOM 1492 OD1 ASP A 96 10.172 -15.636 -1.160 1.00 0.00 O ATOM 1493 OD2 ASP A 96 10.165 -14.120 0.421 1.00 0.00 O ATOM 0 H ASP A 96 8.366 -11.933 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 96 7.780 -14.534 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.058 -13.537 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.700 -12.435 -1.372 1.00 0.00 H new ATOM 1498 N TYR A 97 6.647 -12.188 -0.595 1.00 0.00 N ATOM 1499 CA TYR A 97 6.027 -11.824 0.664 1.00 0.00 C ATOM 1500 C TYR A 97 4.528 -12.056 0.680 1.00 0.00 C ATOM 1501 O TYR A 97 3.828 -11.522 1.540 1.00 0.00 O ATOM 1502 CB TYR A 97 6.389 -10.400 1.050 1.00 0.00 C ATOM 1503 CG TYR A 97 7.806 -10.328 1.543 1.00 0.00 C ATOM 1504 CD1 TYR A 97 8.863 -10.286 0.651 1.00 0.00 C ATOM 1505 CD2 TYR A 97 8.089 -10.357 2.899 1.00 0.00 C ATOM 1506 CE1 TYR A 97 10.164 -10.277 1.094 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.391 -10.337 3.352 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.427 -10.301 2.445 1.00 0.00 C ATOM 1509 OH TYR A 97 11.731 -10.300 2.891 1.00 0.00 O ATOM 0 H TYR A 97 6.628 -11.452 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 97 6.432 -12.494 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.264 -9.742 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.710 -10.044 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.663 -10.260 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.278 -10.396 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.978 -10.251 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.597 -10.349 4.412 1.00 0.00 H new ATOM 0 HH TYR A 97 12.038 -9.376 3.001 1.00 0.00 H new ATOM 1519 N GLU A 98 4.028 -12.845 -0.276 1.00 0.00 N ATOM 1520 CA GLU A 98 2.644 -13.314 -0.219 1.00 0.00 C ATOM 1521 C GLU A 98 2.326 -13.850 1.171 1.00 0.00 C ATOM 1522 O GLU A 98 1.206 -13.714 1.672 1.00 0.00 O ATOM 1523 CB GLU A 98 2.376 -14.419 -1.247 1.00 0.00 C ATOM 1524 CG GLU A 98 2.350 -13.952 -2.691 1.00 0.00 C ATOM 1525 CD GLU A 98 1.844 -15.033 -3.627 1.00 0.00 C ATOM 1526 OE1 GLU A 98 0.609 -15.168 -3.773 1.00 0.00 O ATOM 1527 OE2 GLU A 98 2.677 -15.761 -4.209 1.00 0.00 O ATOM 0 H GLU A 98 4.554 -13.168 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 98 2.006 -12.461 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.142 -15.187 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.420 -14.888 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.713 -13.071 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.353 -13.651 -2.993 1.00 0.00 H new ATOM 1534 N VAL A 99 3.348 -14.410 1.798 1.00 0.00 N ATOM 1535 CA VAL A 99 3.223 -15.022 3.113 1.00 0.00 C ATOM 1536 C VAL A 99 3.417 -14.011 4.238 1.00 0.00 C ATOM 1537 O VAL A 99 3.900 -14.343 5.324 1.00 0.00 O ATOM 1538 CB VAL A 99 4.220 -16.188 3.289 1.00 0.00 C ATOM 1539 CG1 VAL A 99 3.919 -17.300 2.298 1.00 0.00 C ATOM 1540 CG2 VAL A 99 5.656 -15.706 3.123 1.00 0.00 C ATOM 0 H VAL A 99 4.290 -14.454 1.409 1.00 0.00 H new ATOM 0 HA VAL A 99 2.206 -15.411 3.174 1.00 0.00 H new ATOM 0 HB VAL A 99 4.106 -16.580 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.631 -18.113 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.908 -17.671 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.002 -16.914 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.339 -16.546 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.785 -15.283 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.873 -14.944 3.872 1.00 0.00 H new ATOM 1550 N ASN A 100 3.031 -12.779 3.970 1.00 0.00 N ATOM 1551 CA ASN A 100 3.014 -11.744 4.996 1.00 0.00 C ATOM 1552 C ASN A 100 1.839 -12.026 5.914 1.00 0.00 C ATOM 1553 O ASN A 100 1.956 -12.004 7.138 1.00 0.00 O ATOM 1554 CB ASN A 100 2.874 -10.346 4.375 1.00 0.00 C ATOM 1555 CG ASN A 100 3.255 -9.232 5.337 1.00 0.00 C ATOM 1556 OD1 ASN A 100 2.433 -8.759 6.122 1.00 0.00 O ATOM 1557 ND2 ASN A 100 4.504 -8.790 5.264 1.00 0.00 N ATOM 0 H ASN A 100 2.723 -12.466 3.049 1.00 0.00 H new ATOM 0 HA ASN A 100 3.953 -11.760 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.503 -10.284 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.845 -10.201 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.813 -8.032 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.155 -9.209 4.600 1.00 0.00 H new ATOM 1564 N ARG A 101 0.709 -12.310 5.290 1.00 0.00 N ATOM 1565 CA ARG A 101 -0.469 -12.768 5.972 1.00 0.00 C ATOM 1566 C ARG A 101 -1.234 -13.676 5.025 1.00 0.00 C ATOM 1567 O ARG A 101 -1.883 -13.139 4.098 1.00 0.00 O ATOM 1568 CB ARG A 101 -1.324 -11.579 6.393 1.00 0.00 C ATOM 1569 CG ARG A 101 -2.442 -11.922 7.373 1.00 0.00 C ATOM 1570 CD ARG A 101 -3.819 -11.965 6.718 1.00 0.00 C ATOM 1571 NE ARG A 101 -3.994 -13.113 5.829 1.00 0.00 N ATOM 1572 CZ ARG A 101 -4.791 -14.150 6.095 1.00 0.00 C ATOM 1573 NH1 ARG A 101 -5.426 -14.229 7.261 1.00 0.00 N ATOM 1574 NH2 ARG A 101 -4.954 -15.113 5.199 1.00 0.00 N ATOM 1575 OXT ARG A 101 -1.154 -14.909 5.185 1.00 0.00 O ATOM 0 H ARG A 101 0.592 -12.225 4.280 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.201 -13.318 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.679 -10.826 6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.763 -11.129 5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.233 -12.889 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.451 -11.186 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.584 -11.994 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.974 -11.047 6.151 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.475 -13.122 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.305 -13.494 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.034 -15.024 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.470 -15.063 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.564 -15.904 5.406 1.00 0.00 H new TER 1589 ARG A 101