USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HD1:sc= -3.75! C(o=-5.2!,f=-6!) USER MOD Set 1.2: A 81 THR OG1 : rot -60:sc= -1.45 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0.103 USER MOD Set 2.2: A 76 CYS SG : rot 17:sc= -0.215 USER MOD Set 3.1: A 5 TYR OH : rot -29:sc= -1.74 USER MOD Set 3.2: A 41 THR OG1 : rot -40:sc= 0.893 USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.473 USER MOD Set 4.2: A 133 GLN : amide:sc= -1.16 K(o=-0.68,f=-2.9!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 91:sc= -6.79! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.2!) USER MOD Single : A 40 MET CE :methyl 157:sc= -3.51 (180deg=-7.55!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 72:sc= -7.83! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.071) USER MOD Single : A 58 SER OG : rot 180:sc= -0.121 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 64 TYR OH : rot -173:sc= 1.41 USER MOD Single : A 69 TYR OH : rot 128:sc= 0.314 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -142:sc=-0.00624 (180deg=-0.909) USER MOD Single : A 84 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.43) USER MOD Single : A 85 TYR OH : rot 111:sc= -1.01 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= -0.0318 (180deg=-0.217) USER MOD Single : A 101 TYR OH : rot 169:sc= -3.53! USER MOD Single : A 105 HIS : no HD1:sc= -4.98! K(o=-5!,f=-4.5) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : A 127 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 128 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= 0.0468 (180deg=0.0135) USER MOD Single : A 132 TYR OH : rot -77:sc= 0.00628 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.003 10.545 2.487 1.00 0.00 N ATOM 21 CA ARG A 2 -9.218 9.735 3.413 1.00 0.00 C ATOM 22 C ARG A 2 -8.674 8.486 2.724 1.00 0.00 C ATOM 23 O ARG A 2 -8.973 8.227 1.559 1.00 0.00 O ATOM 24 CB ARG A 2 -10.063 9.338 4.627 1.00 0.00 C ATOM 25 CG ARG A 2 -10.725 10.520 5.318 1.00 0.00 C ATOM 26 CD ARG A 2 -12.194 10.251 5.603 1.00 0.00 C ATOM 27 NE ARG A 2 -12.881 11.439 6.105 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.767 11.888 7.353 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.004 11.248 8.229 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.419 12.981 7.726 1.00 0.00 N ATOM 0 HA ARG A 2 -8.374 10.336 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.833 8.635 4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.431 8.815 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.206 10.733 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.632 11.407 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.683 9.907 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.280 9.447 6.334 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.483 11.954 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.500 10.407 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.921 11.597 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.007 13.477 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.332 13.325 8.682 1.00 0.00 H new ATOM 44 N ILE A 3 -7.871 7.718 3.453 1.00 0.00 N ATOM 45 CA ILE A 3 -7.281 6.496 2.917 1.00 0.00 C ATOM 46 C ILE A 3 -8.194 5.294 3.152 1.00 0.00 C ATOM 47 O ILE A 3 -9.105 5.354 3.976 1.00 0.00 O ATOM 48 CB ILE A 3 -5.900 6.226 3.550 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.165 5.141 2.771 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.043 5.835 5.016 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.667 5.329 2.755 1.00 0.00 C ATOM 0 H ILE A 3 -7.613 7.921 4.419 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.158 6.639 1.844 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.314 7.144 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.398 4.169 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.534 5.127 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.057 5.650 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.527 6.644 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.647 4.931 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.205 4.523 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.425 6.286 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.287 5.314 3.777 1.00 0.00 H new ATOM 63 N TYR A 4 -7.955 4.205 2.423 1.00 0.00 N ATOM 64 CA TYR A 4 -8.778 3.009 2.570 1.00 0.00 C ATOM 65 C TYR A 4 -7.939 1.736 2.685 1.00 0.00 C ATOM 66 O TYR A 4 -8.340 0.789 3.360 1.00 0.00 O ATOM 67 CB TYR A 4 -9.751 2.892 1.398 1.00 0.00 C ATOM 68 CG TYR A 4 -10.821 3.958 1.403 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.638 4.144 2.512 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.014 4.780 0.301 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.616 5.120 2.522 1.00 0.00 C ATOM 72 CE2 TYR A 4 -11.991 5.758 0.302 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.788 5.924 1.415 1.00 0.00 C ATOM 74 OH TYR A 4 -13.761 6.897 1.421 1.00 0.00 O ATOM 0 H TYR A 4 -7.208 4.127 1.733 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.336 3.114 3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.193 2.951 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.225 1.911 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.506 3.515 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.390 4.653 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.242 5.252 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.129 6.388 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.750 7.376 0.566 1.00 0.00 H new ATOM 84 N TYR A 5 -6.781 1.703 2.027 1.00 0.00 N ATOM 85 CA TYR A 5 -5.925 0.520 2.079 1.00 0.00 C ATOM 86 C TYR A 5 -4.464 0.867 1.834 1.00 0.00 C ATOM 87 O TYR A 5 -4.139 1.877 1.208 1.00 0.00 O ATOM 88 CB TYR A 5 -6.392 -0.522 1.054 1.00 0.00 C ATOM 89 CG TYR A 5 -5.522 -1.772 0.960 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.227 -1.724 0.443 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.006 -3.007 1.375 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.448 -2.860 0.347 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.231 -4.149 1.278 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.955 -4.071 0.765 1.00 0.00 C ATOM 95 OH TYR A 5 -3.185 -5.209 0.667 1.00 0.00 O ATOM 0 H TYR A 5 -6.418 2.469 1.460 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.006 0.104 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.409 -0.824 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.431 -0.051 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.825 -0.778 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.005 -3.076 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.447 -2.800 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.626 -5.100 1.604 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.562 -5.119 -0.084 1.00 0.00 H new ATOM 105 N ILE A 6 -3.594 -0.005 2.315 1.00 0.00 N ATOM 106 CA ILE A 6 -2.162 0.145 2.148 1.00 0.00 C ATOM 107 C ILE A 6 -1.511 -1.229 2.214 1.00 0.00 C ATOM 108 O ILE A 6 -2.138 -2.197 2.645 1.00 0.00 O ATOM 109 CB ILE A 6 -1.568 1.101 3.215 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.578 2.536 2.676 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.158 0.697 3.634 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.789 3.528 3.511 1.00 0.00 C ATOM 0 H ILE A 6 -3.864 -0.840 2.834 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.958 0.593 1.175 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.191 1.037 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.176 2.533 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.611 2.878 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.214 1.397 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.178 -0.308 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.499 0.713 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.851 4.517 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.203 3.566 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.254 3.215 3.559 1.00 0.00 H new ATOM 124 N GLY A 7 -0.266 -1.320 1.782 1.00 0.00 N ATOM 125 CA GLY A 7 0.418 -2.598 1.811 1.00 0.00 C ATOM 126 C GLY A 7 1.539 -2.692 0.803 1.00 0.00 C ATOM 127 O GLY A 7 1.935 -1.692 0.203 1.00 0.00 O ATOM 0 H GLY A 7 0.282 -0.542 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.820 -2.766 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.302 -3.393 1.620 1.00 0.00 H new ATOM 131 N VAL A 8 2.063 -3.900 0.627 1.00 0.00 N ATOM 132 CA VAL A 8 3.159 -4.124 -0.304 1.00 0.00 C ATOM 133 C VAL A 8 2.913 -5.356 -1.172 1.00 0.00 C ATOM 134 O VAL A 8 2.206 -6.280 -0.771 1.00 0.00 O ATOM 135 CB VAL A 8 4.501 -4.310 0.424 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.624 -3.689 -0.385 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.476 -3.727 1.834 1.00 0.00 C ATOM 0 H VAL A 8 1.746 -4.737 1.117 1.00 0.00 H new ATOM 0 HA VAL A 8 3.207 -3.233 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 8 4.676 -5.382 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.569 -3.826 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.678 -4.170 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.433 -2.624 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.445 -3.882 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.264 -2.659 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.702 -4.223 2.419 1.00 0.00 H new ATOM 147 N PHE A 9 3.503 -5.358 -2.366 1.00 0.00 N ATOM 148 CA PHE A 9 3.351 -6.472 -3.298 1.00 0.00 C ATOM 149 C PHE A 9 4.524 -6.534 -4.271 1.00 0.00 C ATOM 150 O PHE A 9 4.766 -5.591 -5.022 1.00 0.00 O ATOM 151 CB PHE A 9 2.055 -6.355 -4.107 1.00 0.00 C ATOM 152 CG PHE A 9 0.900 -5.722 -3.383 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.983 -4.429 -2.887 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.285 -6.418 -3.227 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.091 -3.855 -2.242 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.364 -5.842 -2.590 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.266 -4.560 -2.095 1.00 0.00 C ATOM 0 H PHE A 9 4.091 -4.599 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 9 3.320 -7.381 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.259 -5.776 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.757 -7.352 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.898 -3.867 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.366 -7.425 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.012 -2.851 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.285 -6.395 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.109 -4.108 -1.593 1.00 0.00 H new ATOM 167 N ARG A 10 5.233 -7.655 -4.271 1.00 0.00 N ATOM 168 CA ARG A 10 6.363 -7.834 -5.176 1.00 0.00 C ATOM 169 C ARG A 10 5.866 -8.183 -6.573 1.00 0.00 C ATOM 170 O ARG A 10 4.975 -9.018 -6.731 1.00 0.00 O ATOM 171 CB ARG A 10 7.303 -8.928 -4.663 1.00 0.00 C ATOM 172 CG ARG A 10 6.706 -10.325 -4.733 1.00 0.00 C ATOM 173 CD ARG A 10 7.435 -11.197 -5.744 1.00 0.00 C ATOM 174 NE ARG A 10 6.609 -12.307 -6.213 1.00 0.00 N ATOM 175 CZ ARG A 10 6.931 -13.088 -7.241 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.053 -12.878 -7.919 1.00 0.00 N ATOM 177 NH2 ARG A 10 6.127 -14.083 -7.594 1.00 0.00 N ATOM 0 H ARG A 10 5.048 -8.450 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 10 6.919 -6.897 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.224 -8.906 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.573 -8.709 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.754 -10.791 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.652 -10.258 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.738 -10.587 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.346 -11.590 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 10 5.734 -12.494 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.674 -12.114 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.294 -13.481 -8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.263 -14.248 -7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.373 -14.682 -8.382 1.00 0.00 H new ATOM 191 N SER A 11 6.435 -7.540 -7.582 1.00 0.00 N ATOM 192 CA SER A 11 6.033 -7.789 -8.962 1.00 0.00 C ATOM 193 C SER A 11 6.182 -9.263 -9.323 1.00 0.00 C ATOM 194 O SER A 11 7.266 -9.719 -9.688 1.00 0.00 O ATOM 195 CB SER A 11 6.857 -6.938 -9.922 1.00 0.00 C ATOM 196 OG SER A 11 7.406 -5.810 -9.265 1.00 0.00 O ATOM 0 H SER A 11 7.173 -6.845 -7.474 1.00 0.00 H new ATOM 0 HA SER A 11 4.982 -7.515 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.659 -7.540 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.230 -6.610 -10.751 1.00 0.00 H new ATOM 0 HG SER A 11 7.931 -5.283 -9.903 1.00 0.00 H new ATOM 202 N GLY A 12 5.083 -9.998 -9.223 1.00 0.00 N ATOM 203 CA GLY A 12 5.105 -11.413 -9.547 1.00 0.00 C ATOM 204 C GLY A 12 5.067 -11.665 -11.041 1.00 0.00 C ATOM 205 O GLY A 12 5.633 -10.899 -11.821 1.00 0.00 O ATOM 0 H GLY A 12 4.176 -9.641 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.004 -11.865 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.253 -11.904 -9.077 1.00 0.00 H new ATOM 209 N GLY A 13 4.398 -12.741 -11.440 1.00 0.00 N ATOM 210 CA GLY A 13 4.300 -13.073 -12.849 1.00 0.00 C ATOM 211 C GLY A 13 3.042 -12.519 -13.487 1.00 0.00 C ATOM 212 O GLY A 13 3.067 -11.452 -14.102 1.00 0.00 O ATOM 0 H GLY A 13 3.922 -13.389 -10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.172 -12.682 -13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.317 -14.157 -12.966 1.00 0.00 H new ATOM 216 N GLU A 14 1.939 -13.244 -13.342 1.00 0.00 N ATOM 217 CA GLU A 14 0.664 -12.819 -13.908 1.00 0.00 C ATOM 218 C GLU A 14 0.144 -11.568 -13.205 1.00 0.00 C ATOM 219 O GLU A 14 -0.593 -10.777 -13.793 1.00 0.00 O ATOM 220 CB GLU A 14 -0.366 -13.944 -13.796 1.00 0.00 C ATOM 221 CG GLU A 14 -0.127 -15.087 -14.771 1.00 0.00 C ATOM 222 CD GLU A 14 -1.409 -15.789 -15.170 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.988 -16.497 -14.320 1.00 0.00 O ATOM 224 OE2 GLU A 14 -1.834 -15.633 -16.335 1.00 0.00 O ATOM 0 H GLU A 14 1.902 -14.129 -12.837 1.00 0.00 H new ATOM 0 HA GLU A 14 0.824 -12.582 -14.960 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.354 -14.336 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.361 -13.533 -13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.365 -14.701 -15.664 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.553 -15.809 -14.319 1.00 0.00 H new ATOM 231 N LYS A 15 0.532 -11.397 -11.946 1.00 0.00 N ATOM 232 CA LYS A 15 0.103 -10.245 -11.163 1.00 0.00 C ATOM 233 C LYS A 15 1.057 -10.002 -10.000 1.00 0.00 C ATOM 234 O LYS A 15 2.070 -10.688 -9.860 1.00 0.00 O ATOM 235 CB LYS A 15 -1.318 -10.461 -10.639 1.00 0.00 C ATOM 236 CG LYS A 15 -1.533 -11.833 -10.019 1.00 0.00 C ATOM 237 CD LYS A 15 -2.479 -12.686 -10.853 1.00 0.00 C ATOM 238 CE LYS A 15 -3.758 -13.003 -10.095 1.00 0.00 C ATOM 239 NZ LYS A 15 -4.757 -13.694 -10.955 1.00 0.00 N ATOM 0 H LYS A 15 1.143 -12.042 -11.446 1.00 0.00 H new ATOM 0 HA LYS A 15 0.113 -9.367 -11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.543 -9.696 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.024 -10.327 -11.459 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.574 -12.342 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.937 -11.719 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.723 -12.163 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.982 -13.614 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.524 -13.630 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.189 -12.080 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.614 -13.892 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.000 -13.085 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.356 -14.588 -11.304 1.00 0.00 H new ATOM 253 N ALA A 16 0.729 -9.023 -9.167 1.00 0.00 N ATOM 254 CA ALA A 16 1.558 -8.690 -8.017 1.00 0.00 C ATOM 255 C ALA A 16 1.298 -9.637 -6.854 1.00 0.00 C ATOM 256 O ALA A 16 0.149 -9.872 -6.478 1.00 0.00 O ATOM 257 CB ALA A 16 1.298 -7.259 -7.585 1.00 0.00 C ATOM 0 H ALA A 16 -0.106 -8.446 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 16 2.602 -8.796 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.923 -7.020 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.536 -6.582 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.248 -7.146 -7.314 1.00 0.00 H new ATOM 263 N LEU A 17 2.370 -10.170 -6.277 1.00 0.00 N ATOM 264 CA LEU A 17 2.241 -11.079 -5.148 1.00 0.00 C ATOM 265 C LEU A 17 2.088 -10.288 -3.853 1.00 0.00 C ATOM 266 O LEU A 17 2.958 -9.497 -3.489 1.00 0.00 O ATOM 267 CB LEU A 17 3.447 -12.012 -5.058 1.00 0.00 C ATOM 268 CG LEU A 17 3.402 -13.017 -3.902 1.00 0.00 C ATOM 269 CD1 LEU A 17 3.681 -14.426 -4.404 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.395 -12.629 -2.814 1.00 0.00 C ATOM 0 H LEU A 17 3.330 -9.989 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 17 1.350 -11.689 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.533 -12.562 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.349 -11.408 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 17 2.400 -12.999 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.644 -15.124 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.929 -14.705 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.670 -14.460 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.348 -13.355 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.403 -12.614 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.146 -11.639 -2.431 1.00 0.00 H new ATOM 282 N GLU A 18 0.969 -10.496 -3.170 1.00 0.00 N ATOM 283 CA GLU A 18 0.686 -9.794 -1.923 1.00 0.00 C ATOM 284 C GLU A 18 1.823 -9.940 -0.914 1.00 0.00 C ATOM 285 O GLU A 18 1.977 -10.986 -0.284 1.00 0.00 O ATOM 286 CB GLU A 18 -0.616 -10.313 -1.312 1.00 0.00 C ATOM 287 CG GLU A 18 -1.822 -10.153 -2.225 1.00 0.00 C ATOM 288 CD GLU A 18 -2.398 -11.483 -2.670 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.623 -12.454 -2.797 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.626 -11.553 -2.893 1.00 0.00 O ATOM 0 H GLU A 18 0.240 -11.148 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 18 0.585 -8.735 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.496 -11.367 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.805 -9.785 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.593 -9.583 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.534 -9.574 -3.103 1.00 0.00 H new ATOM 297 N LEU A 19 2.602 -8.873 -0.749 1.00 0.00 N ATOM 298 CA LEU A 19 3.707 -8.869 0.204 1.00 0.00 C ATOM 299 C LEU A 19 3.179 -8.555 1.598 1.00 0.00 C ATOM 300 O LEU A 19 3.544 -9.204 2.578 1.00 0.00 O ATOM 301 CB LEU A 19 4.771 -7.853 -0.210 1.00 0.00 C ATOM 302 CG LEU A 19 6.156 -8.445 -0.480 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.080 -9.589 -1.482 1.00 0.00 C ATOM 304 CD2 LEU A 19 7.107 -7.370 -0.975 1.00 0.00 C ATOM 0 H LEU A 19 2.487 -8.000 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 19 4.170 -9.856 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.431 -7.338 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.860 -7.101 0.574 1.00 0.00 H new ATOM 0 HG LEU A 19 6.538 -8.845 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.079 -9.989 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.437 -10.376 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.670 -9.222 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.087 -7.809 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.720 -6.939 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.197 -6.589 -0.220 1.00 0.00 H new ATOM 316 N SER A 20 2.287 -7.576 1.661 1.00 0.00 N ATOM 317 CA SER A 20 1.654 -7.177 2.909 1.00 0.00 C ATOM 318 C SER A 20 0.309 -6.531 2.606 1.00 0.00 C ATOM 319 O SER A 20 0.137 -5.937 1.542 1.00 0.00 O ATOM 320 CB SER A 20 2.533 -6.216 3.706 1.00 0.00 C ATOM 321 OG SER A 20 2.389 -4.885 3.240 1.00 0.00 O ATOM 0 H SER A 20 1.983 -7.037 0.850 1.00 0.00 H new ATOM 0 HA SER A 20 1.509 -8.068 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.266 -6.266 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.576 -6.522 3.626 1.00 0.00 H new ATOM 0 HG SER A 20 1.675 -4.438 3.741 1.00 0.00 H new ATOM 327 N GLU A 21 -0.652 -6.655 3.515 1.00 0.00 N ATOM 328 CA GLU A 21 -1.968 -6.078 3.272 1.00 0.00 C ATOM 329 C GLU A 21 -2.596 -5.477 4.524 1.00 0.00 C ATOM 330 O GLU A 21 -2.971 -6.189 5.456 1.00 0.00 O ATOM 331 CB GLU A 21 -2.906 -7.136 2.690 1.00 0.00 C ATOM 332 CG GLU A 21 -2.321 -7.876 1.499 1.00 0.00 C ATOM 333 CD GLU A 21 -1.628 -9.164 1.899 1.00 0.00 C ATOM 334 OE1 GLU A 21 -2.329 -10.110 2.316 1.00 0.00 O ATOM 335 OE2 GLU A 21 -0.385 -9.225 1.796 1.00 0.00 O ATOM 0 H GLU A 21 -0.549 -7.138 4.407 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.824 -5.265 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.155 -7.857 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.838 -6.658 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.116 -8.101 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.610 -7.228 0.987 1.00 0.00 H new ATOM 342 N VAL A 22 -2.746 -4.156 4.508 1.00 0.00 N ATOM 343 CA VAL A 22 -3.369 -3.429 5.598 1.00 0.00 C ATOM 344 C VAL A 22 -4.589 -2.688 5.060 1.00 0.00 C ATOM 345 O VAL A 22 -4.520 -2.059 4.004 1.00 0.00 O ATOM 346 CB VAL A 22 -2.385 -2.437 6.243 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.909 -1.404 5.237 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.012 -1.758 7.451 1.00 0.00 C ATOM 0 H VAL A 22 -2.438 -3.564 3.737 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.672 -4.137 6.369 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.517 -3.004 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.215 -0.717 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.405 -1.906 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.764 -0.847 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.297 -1.062 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.904 -1.214 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.285 -2.511 8.190 1.00 0.00 H new ATOM 358 N LYS A 23 -5.716 -2.796 5.753 1.00 0.00 N ATOM 359 CA LYS A 23 -6.943 -2.158 5.284 1.00 0.00 C ATOM 360 C LYS A 23 -7.431 -1.057 6.204 1.00 0.00 C ATOM 361 O LYS A 23 -7.016 -0.943 7.357 1.00 0.00 O ATOM 362 CB LYS A 23 -8.060 -3.192 5.141 1.00 0.00 C ATOM 363 CG LYS A 23 -7.612 -4.498 4.505 1.00 0.00 C ATOM 364 CD LYS A 23 -7.833 -5.680 5.437 1.00 0.00 C ATOM 365 CE LYS A 23 -8.374 -6.889 4.688 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.447 -7.583 5.454 1.00 0.00 N ATOM 0 H LYS A 23 -5.808 -3.311 6.629 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.698 -1.712 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.475 -3.403 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.863 -2.764 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.161 -4.658 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.556 -4.433 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.893 -5.942 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.531 -5.397 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.765 -6.572 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.561 -7.587 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.789 -8.401 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.068 -7.908 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.235 -6.925 5.622 1.00 0.00 H new ATOM 380 N ASP A 24 -8.359 -0.275 5.671 1.00 0.00 N ATOM 381 CA ASP A 24 -8.987 0.804 6.403 1.00 0.00 C ATOM 382 C ASP A 24 -10.449 0.889 5.983 1.00 0.00 C ATOM 383 O ASP A 24 -10.765 1.315 4.872 1.00 0.00 O ATOM 384 CB ASP A 24 -8.276 2.130 6.125 1.00 0.00 C ATOM 385 CG ASP A 24 -7.356 2.548 7.256 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.375 1.886 8.315 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.615 3.539 7.083 1.00 0.00 O ATOM 0 H ASP A 24 -8.696 -0.376 4.713 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.919 0.608 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.698 2.042 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.020 2.909 5.960 1.00 0.00 H new ATOM 392 N LEU A 25 -11.331 0.463 6.872 1.00 0.00 N ATOM 393 CA LEU A 25 -12.762 0.467 6.599 1.00 0.00 C ATOM 394 C LEU A 25 -13.452 1.593 7.358 1.00 0.00 C ATOM 395 O LEU A 25 -14.195 1.354 8.311 1.00 0.00 O ATOM 396 CB LEU A 25 -13.374 -0.882 6.984 1.00 0.00 C ATOM 397 CG LEU A 25 -12.666 -2.112 6.404 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.478 -1.973 4.901 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.324 -2.330 7.086 1.00 0.00 C ATOM 0 H LEU A 25 -11.081 0.108 7.795 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.909 0.632 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.377 -0.964 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.415 -0.896 6.660 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.296 -2.981 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.974 -2.858 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.451 -1.871 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.874 -1.090 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.838 -3.208 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.692 -1.455 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.479 -2.484 8.154 1.00 0.00 H new ATOM 411 N SER A 26 -13.196 2.821 6.926 1.00 0.00 N ATOM 412 CA SER A 26 -13.787 3.996 7.560 1.00 0.00 C ATOM 413 C SER A 26 -15.308 3.876 7.631 1.00 0.00 C ATOM 414 O SER A 26 -15.878 3.709 8.710 1.00 0.00 O ATOM 415 CB SER A 26 -13.399 5.262 6.794 1.00 0.00 C ATOM 416 OG SER A 26 -13.045 6.309 7.682 1.00 0.00 O ATOM 0 H SER A 26 -12.583 3.031 6.139 1.00 0.00 H new ATOM 0 HA SER A 26 -13.401 4.060 8.577 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.562 5.046 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.231 5.580 6.166 1.00 0.00 H new ATOM 0 HG SER A 26 -12.800 7.106 7.167 1.00 0.00 H new ATOM 422 N GLN A 27 -15.958 3.963 6.475 1.00 0.00 N ATOM 423 CA GLN A 27 -17.411 3.865 6.404 1.00 0.00 C ATOM 424 C GLN A 27 -17.850 2.437 6.085 1.00 0.00 C ATOM 425 O GLN A 27 -18.973 2.040 6.397 1.00 0.00 O ATOM 426 CB GLN A 27 -17.955 4.827 5.346 1.00 0.00 C ATOM 427 CG GLN A 27 -17.879 6.289 5.756 1.00 0.00 C ATOM 428 CD GLN A 27 -19.102 7.078 5.328 1.00 0.00 C ATOM 429 OE1 GLN A 27 -19.567 6.957 4.195 1.00 0.00 O ATOM 430 NE2 GLN A 27 -19.629 7.892 6.236 1.00 0.00 N ATOM 0 H GLN A 27 -15.501 4.101 5.574 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.816 4.138 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.397 4.689 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.993 4.571 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.770 6.354 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.988 6.740 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.210 7.961 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.452 8.448 6.006 1.00 0.00 H new ATOM 439 N PHE A 28 -16.957 1.672 5.467 1.00 0.00 N ATOM 440 CA PHE A 28 -17.252 0.286 5.108 1.00 0.00 C ATOM 441 C PHE A 28 -17.507 -0.546 6.363 1.00 0.00 C ATOM 442 O PHE A 28 -16.621 -0.709 7.201 1.00 0.00 O ATOM 443 CB PHE A 28 -16.102 -0.316 4.292 1.00 0.00 C ATOM 444 CG PHE A 28 -15.392 0.685 3.420 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.104 1.663 2.743 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.014 0.655 3.286 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.455 2.589 1.950 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.359 1.577 2.496 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.080 2.546 1.827 1.00 0.00 C ATOM 0 H PHE A 28 -16.023 1.986 5.204 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.153 0.274 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.381 -0.767 4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.493 -1.118 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -17.179 1.701 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.444 -0.100 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -16.022 3.345 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.284 1.541 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.570 3.269 1.208 1.00 0.00 H new ATOM 459 N GLY A 29 -18.730 -1.053 6.494 1.00 0.00 N ATOM 460 CA GLY A 29 -19.089 -1.842 7.659 1.00 0.00 C ATOM 461 C GLY A 29 -18.698 -3.300 7.552 1.00 0.00 C ATOM 462 O GLY A 29 -17.667 -3.643 6.974 1.00 0.00 O ATOM 0 H GLY A 29 -19.479 -0.931 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.612 -1.411 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.166 -1.774 7.815 1.00 0.00 H new ATOM 466 N PHE A 30 -19.532 -4.151 8.134 1.00 0.00 N ATOM 467 CA PHE A 30 -19.304 -5.589 8.144 1.00 0.00 C ATOM 468 C PHE A 30 -19.099 -6.148 6.740 1.00 0.00 C ATOM 469 O PHE A 30 -17.982 -6.484 6.346 1.00 0.00 O ATOM 470 CB PHE A 30 -20.495 -6.284 8.806 1.00 0.00 C ATOM 471 CG PHE A 30 -20.106 -7.198 9.920 1.00 0.00 C ATOM 472 CD1 PHE A 30 -19.791 -6.690 11.166 1.00 0.00 C ATOM 473 CD2 PHE A 30 -20.057 -8.564 9.721 1.00 0.00 C ATOM 474 CE1 PHE A 30 -19.432 -7.530 12.198 1.00 0.00 C ATOM 475 CE2 PHE A 30 -19.698 -9.412 10.746 1.00 0.00 C ATOM 476 CZ PHE A 30 -19.385 -8.896 11.990 1.00 0.00 C ATOM 0 H PHE A 30 -20.386 -3.864 8.612 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.391 -5.779 8.708 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.180 -5.528 9.189 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.038 -6.854 8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -19.827 -5.624 11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -20.303 -8.972 8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.188 -7.122 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -19.661 -10.478 10.578 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.105 -9.558 12.796 1.00 0.00 H new ATOM 486 N PHE A 31 -20.194 -6.260 6.002 1.00 0.00 N ATOM 487 CA PHE A 31 -20.162 -6.797 4.648 1.00 0.00 C ATOM 488 C PHE A 31 -19.395 -5.874 3.709 1.00 0.00 C ATOM 489 O PHE A 31 -18.848 -6.317 2.699 1.00 0.00 O ATOM 490 CB PHE A 31 -21.590 -7.019 4.141 1.00 0.00 C ATOM 491 CG PHE A 31 -22.565 -7.354 5.238 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.582 -8.615 5.813 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.457 -6.400 5.702 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.472 -8.918 6.827 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.349 -6.697 6.716 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.356 -7.958 7.278 1.00 0.00 C ATOM 0 H PHE A 31 -21.123 -5.984 6.321 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.641 -7.754 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -21.929 -6.121 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -21.587 -7.826 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.892 -9.370 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.455 -5.412 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.476 -9.905 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.039 -5.944 7.068 1.00 0.00 H new ATOM 0 HZ PHE A 31 -25.052 -8.193 8.069 1.00 0.00 H new ATOM 506 N GLU A 32 -19.345 -4.592 4.053 1.00 0.00 N ATOM 507 CA GLU A 32 -18.629 -3.616 3.244 1.00 0.00 C ATOM 508 C GLU A 32 -17.123 -3.791 3.416 1.00 0.00 C ATOM 509 O GLU A 32 -16.356 -3.649 2.465 1.00 0.00 O ATOM 510 CB GLU A 32 -19.040 -2.195 3.636 1.00 0.00 C ATOM 511 CG GLU A 32 -19.147 -1.245 2.454 1.00 0.00 C ATOM 512 CD GLU A 32 -20.216 -0.189 2.650 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.273 0.401 3.750 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.996 0.050 1.704 1.00 0.00 O ATOM 0 H GLU A 32 -19.791 -4.206 4.885 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.886 -3.779 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.001 -2.232 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.314 -1.798 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.185 -0.758 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.367 -1.816 1.552 1.00 0.00 H new ATOM 521 N ARG A 33 -16.710 -4.110 4.638 1.00 0.00 N ATOM 522 CA ARG A 33 -15.298 -4.317 4.943 1.00 0.00 C ATOM 523 C ARG A 33 -14.726 -5.440 4.083 1.00 0.00 C ATOM 524 O ARG A 33 -13.689 -5.278 3.442 1.00 0.00 O ATOM 525 CB ARG A 33 -15.128 -4.641 6.437 1.00 0.00 C ATOM 526 CG ARG A 33 -13.889 -5.467 6.771 1.00 0.00 C ATOM 527 CD ARG A 33 -13.886 -5.912 8.225 1.00 0.00 C ATOM 528 NE ARG A 33 -14.273 -4.833 9.132 1.00 0.00 N ATOM 529 CZ ARG A 33 -14.642 -5.025 10.397 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.677 -6.250 10.906 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.977 -3.989 11.153 1.00 0.00 N ATOM 0 H ARG A 33 -17.334 -4.231 5.435 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.750 -3.402 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.087 -3.706 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.011 -5.179 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.849 -6.342 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.994 -4.879 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.571 -6.751 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.892 -6.270 8.492 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.260 -3.878 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.420 -7.050 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.960 -6.391 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.952 -3.046 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.260 -4.135 12.122 1.00 0.00 H new ATOM 545 N SER A 34 -15.409 -6.576 4.082 1.00 0.00 N ATOM 546 CA SER A 34 -14.973 -7.729 3.307 1.00 0.00 C ATOM 547 C SER A 34 -14.967 -7.411 1.815 1.00 0.00 C ATOM 548 O SER A 34 -13.947 -7.558 1.144 1.00 0.00 O ATOM 549 CB SER A 34 -15.885 -8.926 3.582 1.00 0.00 C ATOM 550 OG SER A 34 -15.180 -10.148 3.440 1.00 0.00 O ATOM 0 H SER A 34 -16.269 -6.724 4.610 1.00 0.00 H new ATOM 0 HA SER A 34 -13.956 -7.977 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.292 -8.853 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.731 -8.908 2.894 1.00 0.00 H new ATOM 0 HG SER A 34 -15.784 -10.897 3.623 1.00 0.00 H new ATOM 556 N SER A 35 -16.115 -6.978 1.303 1.00 0.00 N ATOM 557 CA SER A 35 -16.247 -6.645 -0.111 1.00 0.00 C ATOM 558 C SER A 35 -15.234 -5.584 -0.531 1.00 0.00 C ATOM 559 O SER A 35 -14.451 -5.798 -1.457 1.00 0.00 O ATOM 560 CB SER A 35 -17.664 -6.157 -0.410 1.00 0.00 C ATOM 561 OG SER A 35 -18.052 -6.491 -1.731 1.00 0.00 O ATOM 0 H SER A 35 -16.968 -6.849 1.847 1.00 0.00 H new ATOM 0 HA SER A 35 -16.048 -7.550 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.362 -6.601 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.716 -5.077 -0.275 1.00 0.00 H new ATOM 0 HG SER A 35 -18.963 -6.169 -1.896 1.00 0.00 H new ATOM 567 N VAL A 36 -15.249 -4.439 0.145 1.00 0.00 N ATOM 568 CA VAL A 36 -14.323 -3.362 -0.183 1.00 0.00 C ATOM 569 C VAL A 36 -12.883 -3.783 0.076 1.00 0.00 C ATOM 570 O VAL A 36 -11.989 -3.474 -0.710 1.00 0.00 O ATOM 571 CB VAL A 36 -14.617 -2.071 0.603 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.806 -0.921 0.028 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.105 -1.745 0.579 1.00 0.00 C ATOM 0 H VAL A 36 -15.885 -4.235 0.915 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.463 -3.155 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.327 -2.223 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.018 -0.010 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.743 -1.153 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.074 -0.774 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.286 -0.829 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.431 -1.608 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.664 -2.564 1.031 1.00 0.00 H new ATOM 583 N GLY A 37 -12.661 -4.501 1.175 1.00 0.00 N ATOM 584 CA GLY A 37 -11.320 -4.960 1.494 1.00 0.00 C ATOM 585 C GLY A 37 -10.694 -5.693 0.327 1.00 0.00 C ATOM 586 O GLY A 37 -9.558 -5.417 -0.057 1.00 0.00 O ATOM 0 H GLY A 37 -13.380 -4.771 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.697 -4.108 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.356 -5.618 2.362 1.00 0.00 H new ATOM 590 N GLN A 38 -11.458 -6.611 -0.255 1.00 0.00 N ATOM 591 CA GLN A 38 -10.992 -7.368 -1.409 1.00 0.00 C ATOM 592 C GLN A 38 -10.761 -6.415 -2.568 1.00 0.00 C ATOM 593 O GLN A 38 -9.787 -6.534 -3.311 1.00 0.00 O ATOM 594 CB GLN A 38 -12.018 -8.430 -1.803 1.00 0.00 C ATOM 595 CG GLN A 38 -12.586 -9.186 -0.617 1.00 0.00 C ATOM 596 CD GLN A 38 -12.461 -10.691 -0.761 1.00 0.00 C ATOM 597 OE1 GLN A 38 -11.933 -11.191 -1.754 1.00 0.00 O ATOM 598 NE2 GLN A 38 -12.949 -11.422 0.234 1.00 0.00 N ATOM 0 H GLN A 38 -12.401 -6.848 0.053 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.059 -7.871 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.834 -7.953 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.552 -9.139 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.071 -8.869 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.637 -8.924 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.379 -10.966 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.894 -12.440 0.194 1.00 0.00 H new ATOM 607 N PHE A 39 -11.664 -5.448 -2.695 1.00 0.00 N ATOM 608 CA PHE A 39 -11.571 -4.443 -3.738 1.00 0.00 C ATOM 609 C PHE A 39 -10.267 -3.671 -3.595 1.00 0.00 C ATOM 610 O PHE A 39 -9.610 -3.339 -4.582 1.00 0.00 O ATOM 611 CB PHE A 39 -12.762 -3.487 -3.649 1.00 0.00 C ATOM 612 CG PHE A 39 -12.868 -2.545 -4.809 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.139 -1.368 -4.827 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.696 -2.835 -5.881 1.00 0.00 C ATOM 615 CE1 PHE A 39 -12.236 -0.493 -5.893 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.796 -1.966 -6.951 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.065 -0.793 -6.956 1.00 0.00 C ATOM 0 H PHE A 39 -12.472 -5.342 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.587 -4.934 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.680 -4.070 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.684 -2.908 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.487 -1.131 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.270 -3.750 -5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.665 0.423 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.444 -2.203 -7.782 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.142 -0.112 -7.790 1.00 0.00 H new ATOM 627 N MET A 40 -9.898 -3.404 -2.348 1.00 0.00 N ATOM 628 CA MET A 40 -8.673 -2.682 -2.045 1.00 0.00 C ATOM 629 C MET A 40 -7.448 -3.481 -2.473 1.00 0.00 C ATOM 630 O MET A 40 -6.644 -3.023 -3.284 1.00 0.00 O ATOM 631 CB MET A 40 -8.598 -2.390 -0.547 1.00 0.00 C ATOM 632 CG MET A 40 -9.620 -1.373 -0.070 1.00 0.00 C ATOM 633 SD MET A 40 -9.491 0.202 -0.937 1.00 0.00 S ATOM 634 CE MET A 40 -11.118 0.885 -0.635 1.00 0.00 C ATOM 0 H MET A 40 -10.436 -3.680 -1.526 1.00 0.00 H new ATOM 0 HA MET A 40 -8.685 -1.744 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.741 -3.320 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.599 -2.028 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.622 -1.779 -0.209 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.489 -1.206 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.081 1.970 -0.731 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.823 0.480 -1.361 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.442 0.621 0.372 1.00 0.00 H new ATOM 644 N THR A 41 -7.311 -4.679 -1.914 1.00 0.00 N ATOM 645 CA THR A 41 -6.183 -5.548 -2.227 1.00 0.00 C ATOM 646 C THR A 41 -6.154 -5.895 -3.711 1.00 0.00 C ATOM 647 O THR A 41 -5.173 -5.624 -4.388 1.00 0.00 O ATOM 648 CB THR A 41 -6.256 -6.827 -1.391 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.238 -6.522 -0.007 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.120 -7.791 -1.662 1.00 0.00 C ATOM 0 H THR A 41 -7.969 -5.071 -1.240 1.00 0.00 H new ATOM 0 HA THR A 41 -5.265 -5.013 -1.984 1.00 0.00 H new ATOM 0 HB THR A 41 -7.191 -7.306 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.606 -5.791 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.236 -8.675 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.135 -8.086 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.170 -7.307 -1.435 1.00 0.00 H new ATOM 658 N PHE A 42 -7.233 -6.493 -4.210 1.00 0.00 N ATOM 659 CA PHE A 42 -7.321 -6.869 -5.623 1.00 0.00 C ATOM 660 C PHE A 42 -6.821 -5.734 -6.516 1.00 0.00 C ATOM 661 O PHE A 42 -6.079 -5.955 -7.474 1.00 0.00 O ATOM 662 CB PHE A 42 -8.763 -7.226 -5.987 1.00 0.00 C ATOM 663 CG PHE A 42 -8.870 -8.196 -7.129 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.678 -9.552 -6.923 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.162 -7.751 -8.408 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.776 -10.447 -7.970 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.262 -8.641 -9.460 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.069 -9.991 -9.241 1.00 0.00 C ATOM 0 H PHE A 42 -8.059 -6.728 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.688 -7.742 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.256 -7.651 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.301 -6.314 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.449 -9.914 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.313 -6.696 -8.585 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.624 -11.502 -7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.491 -8.282 -10.452 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.147 -10.689 -10.062 1.00 0.00 H new ATOM 678 N PHE A 43 -7.223 -4.515 -6.180 1.00 0.00 N ATOM 679 CA PHE A 43 -6.806 -3.341 -6.933 1.00 0.00 C ATOM 680 C PHE A 43 -5.360 -2.989 -6.594 1.00 0.00 C ATOM 681 O PHE A 43 -4.627 -2.454 -7.427 1.00 0.00 O ATOM 682 CB PHE A 43 -7.732 -2.162 -6.620 1.00 0.00 C ATOM 683 CG PHE A 43 -7.888 -1.181 -7.749 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.923 -1.608 -9.068 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.006 0.174 -7.485 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.069 -0.702 -10.100 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.152 1.085 -8.513 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.184 0.647 -9.823 1.00 0.00 C ATOM 0 H PHE A 43 -7.837 -4.314 -5.391 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.870 -3.560 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.715 -2.549 -6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.348 -1.635 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.835 -2.661 -9.291 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.984 0.522 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.093 -1.048 -11.123 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.241 2.139 -8.293 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.299 1.357 -10.629 1.00 0.00 H new ATOM 698 N ALA A 44 -4.958 -3.307 -5.365 1.00 0.00 N ATOM 699 CA ALA A 44 -3.601 -3.044 -4.897 1.00 0.00 C ATOM 700 C ALA A 44 -2.603 -4.006 -5.538 1.00 0.00 C ATOM 701 O ALA A 44 -1.458 -3.641 -5.824 1.00 0.00 O ATOM 702 CB ALA A 44 -3.543 -3.158 -3.382 1.00 0.00 C ATOM 0 H ALA A 44 -5.559 -3.751 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.328 -2.030 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.527 -2.960 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.223 -2.432 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.837 -4.163 -3.081 1.00 0.00 H new ATOM 708 N GLU A 45 -3.048 -5.233 -5.772 1.00 0.00 N ATOM 709 CA GLU A 45 -2.209 -6.247 -6.386 1.00 0.00 C ATOM 710 C GLU A 45 -2.033 -5.937 -7.866 1.00 0.00 C ATOM 711 O GLU A 45 -0.940 -6.069 -8.413 1.00 0.00 O ATOM 712 CB GLU A 45 -2.825 -7.633 -6.189 1.00 0.00 C ATOM 713 CG GLU A 45 -4.241 -7.747 -6.713 1.00 0.00 C ATOM 714 CD GLU A 45 -4.733 -9.180 -6.763 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.627 -9.881 -5.736 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.224 -9.600 -7.831 1.00 0.00 O ATOM 0 H GLU A 45 -3.991 -5.549 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.229 -6.242 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.201 -8.373 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.819 -7.876 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.907 -7.161 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.290 -7.315 -7.713 1.00 0.00 H new ATOM 723 N THR A 46 -3.111 -5.493 -8.507 1.00 0.00 N ATOM 724 CA THR A 46 -3.052 -5.132 -9.917 1.00 0.00 C ATOM 725 C THR A 46 -2.007 -4.039 -10.113 1.00 0.00 C ATOM 726 O THR A 46 -1.093 -4.178 -10.922 1.00 0.00 O ATOM 727 CB THR A 46 -4.430 -4.663 -10.404 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.232 -5.770 -10.771 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.375 -3.725 -11.594 1.00 0.00 C ATOM 0 H THR A 46 -4.028 -5.376 -8.075 1.00 0.00 H new ATOM 0 HA THR A 46 -2.767 -6.004 -10.505 1.00 0.00 H new ATOM 0 HB THR A 46 -4.856 -4.119 -9.561 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.107 -5.453 -11.077 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.387 -3.438 -11.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.807 -2.834 -11.329 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.891 -4.228 -12.432 1.00 0.00 H new ATOM 737 N VAL A 47 -2.145 -2.958 -9.352 1.00 0.00 N ATOM 738 CA VAL A 47 -1.201 -1.842 -9.429 1.00 0.00 C ATOM 739 C VAL A 47 0.230 -2.342 -9.390 1.00 0.00 C ATOM 740 O VAL A 47 0.981 -2.156 -10.345 1.00 0.00 O ATOM 741 CB VAL A 47 -1.369 -0.818 -8.288 1.00 0.00 C ATOM 742 CG1 VAL A 47 -2.005 0.454 -8.789 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.157 -1.369 -7.121 1.00 0.00 C ATOM 0 H VAL A 47 -2.898 -2.828 -8.676 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.421 -1.347 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.365 -0.596 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.111 1.157 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.376 0.895 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.988 0.230 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.244 -0.606 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.152 -1.659 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.644 -2.240 -6.714 1.00 0.00 H new ATOM 753 N ALA A 48 0.608 -2.992 -8.292 1.00 0.00 N ATOM 754 CA ALA A 48 1.959 -3.518 -8.175 1.00 0.00 C ATOM 755 C ALA A 48 2.283 -4.359 -9.406 1.00 0.00 C ATOM 756 O ALA A 48 3.433 -4.428 -9.843 1.00 0.00 O ATOM 757 CB ALA A 48 2.127 -4.315 -6.890 1.00 0.00 C ATOM 0 H ALA A 48 0.008 -3.164 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 48 2.664 -2.688 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.146 -4.696 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.929 -3.671 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.426 -5.150 -6.886 1.00 0.00 H new ATOM 763 N SER A 49 1.244 -4.968 -9.982 1.00 0.00 N ATOM 764 CA SER A 49 1.397 -5.770 -11.185 1.00 0.00 C ATOM 765 C SER A 49 1.634 -4.848 -12.379 1.00 0.00 C ATOM 766 O SER A 49 2.450 -5.140 -13.252 1.00 0.00 O ATOM 767 CB SER A 49 0.157 -6.643 -11.408 1.00 0.00 C ATOM 768 OG SER A 49 -0.249 -6.637 -12.767 1.00 0.00 O ATOM 0 H SER A 49 0.288 -4.917 -9.629 1.00 0.00 H new ATOM 0 HA SER A 49 2.255 -6.432 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.370 -7.665 -11.096 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.660 -6.283 -10.782 1.00 0.00 H new ATOM 0 HG SER A 49 -1.041 -7.204 -12.874 1.00 0.00 H new ATOM 774 N ARG A 50 0.930 -3.714 -12.388 1.00 0.00 N ATOM 775 CA ARG A 50 1.082 -2.726 -13.451 1.00 0.00 C ATOM 776 C ARG A 50 2.407 -2.008 -13.292 1.00 0.00 C ATOM 777 O ARG A 50 3.048 -1.629 -14.271 1.00 0.00 O ATOM 778 CB ARG A 50 -0.055 -1.700 -13.424 1.00 0.00 C ATOM 779 CG ARG A 50 -1.444 -2.307 -13.336 1.00 0.00 C ATOM 780 CD ARG A 50 -2.372 -1.443 -12.493 1.00 0.00 C ATOM 781 NE ARG A 50 -3.596 -1.090 -13.210 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.676 -0.103 -14.101 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.606 0.625 -14.394 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.829 0.154 -14.703 1.00 0.00 N ATOM 0 H ARG A 50 0.251 -3.460 -11.671 1.00 0.00 H new ATOM 0 HA ARG A 50 1.051 -3.250 -14.406 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.092 -1.035 -12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.004 -1.086 -14.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.858 -2.419 -14.338 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.380 -3.305 -12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.629 -1.975 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.850 -0.533 -12.197 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.439 -1.631 -13.017 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.716 0.430 -13.936 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.674 1.379 -15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.654 -0.404 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.891 0.910 -15.385 1.00 0.00 H new ATOM 798 N THR A 51 2.816 -1.836 -12.043 1.00 0.00 N ATOM 799 CA THR A 51 4.064 -1.179 -11.743 1.00 0.00 C ATOM 800 C THR A 51 5.207 -2.171 -11.903 1.00 0.00 C ATOM 801 O THR A 51 5.385 -3.069 -11.080 1.00 0.00 O ATOM 802 CB THR A 51 4.011 -0.621 -10.322 1.00 0.00 C ATOM 803 OG1 THR A 51 2.849 0.166 -10.156 1.00 0.00 O ATOM 804 CG2 THR A 51 5.203 0.238 -9.961 1.00 0.00 C ATOM 0 H THR A 51 2.294 -2.146 -11.224 1.00 0.00 H new ATOM 0 HA THR A 51 4.230 -0.351 -12.432 1.00 0.00 H new ATOM 0 HB THR A 51 4.011 -1.490 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.062 -0.416 -10.122 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.095 0.598 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.115 -0.353 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.258 1.088 -10.641 1.00 0.00 H new ATOM 812 N GLY A 52 5.968 -2.012 -12.978 1.00 0.00 N ATOM 813 CA GLY A 52 7.076 -2.912 -13.247 1.00 0.00 C ATOM 814 C GLY A 52 8.346 -2.541 -12.504 1.00 0.00 C ATOM 815 O GLY A 52 9.439 -2.617 -13.064 1.00 0.00 O ATOM 0 H GLY A 52 5.838 -1.275 -13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.786 -3.926 -12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.279 -2.917 -14.318 1.00 0.00 H new ATOM 819 N ALA A 53 8.205 -2.150 -11.241 1.00 0.00 N ATOM 820 CA ALA A 53 9.356 -1.777 -10.426 1.00 0.00 C ATOM 821 C ALA A 53 10.112 -0.603 -11.036 1.00 0.00 C ATOM 822 O ALA A 53 10.160 -0.445 -12.256 1.00 0.00 O ATOM 823 CB ALA A 53 10.284 -2.968 -10.251 1.00 0.00 C ATOM 0 H ALA A 53 7.308 -2.083 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 53 8.988 -1.466 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.139 -2.677 -9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.747 -3.779 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.633 -3.304 -11.227 1.00 0.00 H new ATOM 829 N GLY A 54 10.699 0.225 -10.179 1.00 0.00 N ATOM 830 CA GLY A 54 11.442 1.376 -10.652 1.00 0.00 C ATOM 831 C GLY A 54 10.536 2.525 -11.050 1.00 0.00 C ATOM 832 O GLY A 54 11.007 3.560 -11.521 1.00 0.00 O ATOM 0 H GLY A 54 10.673 0.119 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.126 1.710 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.052 1.085 -11.507 1.00 0.00 H new ATOM 836 N GLU A 55 9.232 2.344 -10.859 1.00 0.00 N ATOM 837 CA GLU A 55 8.264 3.374 -11.203 1.00 0.00 C ATOM 838 C GLU A 55 7.151 3.446 -10.163 1.00 0.00 C ATOM 839 O GLU A 55 7.169 2.721 -9.168 1.00 0.00 O ATOM 840 CB GLU A 55 7.672 3.105 -12.587 1.00 0.00 C ATOM 841 CG GLU A 55 7.205 1.671 -12.777 1.00 0.00 C ATOM 842 CD GLU A 55 7.205 1.246 -14.232 1.00 0.00 C ATOM 843 OE1 GLU A 55 8.303 1.098 -14.808 1.00 0.00 O ATOM 844 OE2 GLU A 55 6.105 1.059 -14.795 1.00 0.00 O ATOM 0 H GLU A 55 8.825 1.494 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 55 8.782 4.333 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.830 3.778 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.419 3.339 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.852 1.004 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.199 1.563 -12.371 1.00 0.00 H new ATOM 851 N ARG A 56 6.184 4.326 -10.400 1.00 0.00 N ATOM 852 CA ARG A 56 5.062 4.496 -9.485 1.00 0.00 C ATOM 853 C ARG A 56 3.750 4.619 -10.251 1.00 0.00 C ATOM 854 O ARG A 56 3.738 4.985 -11.427 1.00 0.00 O ATOM 855 CB ARG A 56 5.270 5.734 -8.608 1.00 0.00 C ATOM 856 CG ARG A 56 5.857 6.924 -9.351 1.00 0.00 C ATOM 857 CD ARG A 56 6.615 7.848 -8.414 1.00 0.00 C ATOM 858 NE ARG A 56 7.770 8.460 -9.065 1.00 0.00 N ATOM 859 CZ ARG A 56 7.690 9.496 -9.896 1.00 0.00 C ATOM 860 NH1 ARG A 56 6.512 10.040 -10.178 1.00 0.00 N ATOM 861 NH2 ARG A 56 8.790 9.990 -10.447 1.00 0.00 N ATOM 0 H ARG A 56 6.155 4.933 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 56 5.011 3.613 -8.848 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.313 6.025 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.929 5.474 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.527 6.570 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.057 7.478 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.945 8.629 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.947 7.286 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 56 8.692 8.070 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.663 9.664 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.457 10.834 -10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.697 9.576 -10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.729 10.784 -11.084 1.00 0.00 H new ATOM 875 N GLN A 57 2.644 4.313 -9.578 1.00 0.00 N ATOM 876 CA GLN A 57 1.326 4.395 -10.203 1.00 0.00 C ATOM 877 C GLN A 57 0.327 5.107 -9.303 1.00 0.00 C ATOM 878 O GLN A 57 0.545 5.263 -8.104 1.00 0.00 O ATOM 879 CB GLN A 57 0.788 2.998 -10.548 1.00 0.00 C ATOM 880 CG GLN A 57 1.634 2.254 -11.567 1.00 0.00 C ATOM 881 CD GLN A 57 1.382 2.724 -12.985 1.00 0.00 C ATOM 882 OE1 GLN A 57 2.218 3.400 -13.586 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.224 2.367 -13.530 1.00 0.00 N ATOM 0 H GLN A 57 2.633 4.007 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 57 1.447 4.970 -11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.729 2.405 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.228 3.094 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.689 2.387 -11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.424 1.187 -11.499 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.440 1.806 -12.996 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.001 2.654 -14.483 1.00 0.00 H new ATOM 892 N SER A 58 -0.783 5.509 -9.901 1.00 0.00 N ATOM 893 CA SER A 58 -1.856 6.173 -9.194 1.00 0.00 C ATOM 894 C SER A 58 -3.158 5.854 -9.908 1.00 0.00 C ATOM 895 O SER A 58 -3.459 6.416 -10.961 1.00 0.00 O ATOM 896 CB SER A 58 -1.625 7.685 -9.146 1.00 0.00 C ATOM 897 OG SER A 58 -0.255 7.999 -9.327 1.00 0.00 O ATOM 0 H SER A 58 -0.962 5.381 -10.897 1.00 0.00 H new ATOM 0 HA SER A 58 -1.895 5.819 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.218 8.171 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.968 8.078 -8.189 1.00 0.00 H new ATOM 0 HG SER A 58 -0.135 8.971 -9.294 1.00 0.00 H new ATOM 903 N ILE A 59 -3.910 4.927 -9.342 1.00 0.00 N ATOM 904 CA ILE A 59 -5.174 4.495 -9.936 1.00 0.00 C ATOM 905 C ILE A 59 -6.333 5.308 -9.389 1.00 0.00 C ATOM 906 O ILE A 59 -6.769 5.107 -8.258 1.00 0.00 O ATOM 907 CB ILE A 59 -5.436 2.989 -9.694 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.447 2.440 -8.673 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.330 2.211 -10.994 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.814 1.089 -8.121 1.00 0.00 C ATOM 0 H ILE A 59 -3.671 4.455 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.094 4.660 -11.010 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.447 2.875 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.463 2.375 -9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.365 3.147 -7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.518 1.155 -10.802 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.066 2.587 -11.704 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.330 2.332 -11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.058 0.772 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.783 1.149 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.867 0.366 -8.935 1.00 0.00 H new ATOM 922 N GLU A 60 -6.823 6.229 -10.207 1.00 0.00 N ATOM 923 CA GLU A 60 -7.932 7.093 -9.818 1.00 0.00 C ATOM 924 C GLU A 60 -9.270 6.488 -10.226 1.00 0.00 C ATOM 925 O GLU A 60 -9.542 6.296 -11.413 1.00 0.00 O ATOM 926 CB GLU A 60 -7.773 8.475 -10.453 1.00 0.00 C ATOM 927 CG GLU A 60 -7.479 8.430 -11.944 1.00 0.00 C ATOM 928 CD GLU A 60 -5.999 8.537 -12.249 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.384 9.553 -11.861 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.452 7.606 -12.877 1.00 0.00 O ATOM 0 H GLU A 60 -6.469 6.399 -11.148 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.916 7.191 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.685 9.048 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.967 9.007 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.865 7.499 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.008 9.244 -12.440 1.00 0.00 H new ATOM 937 N GLU A 61 -10.106 6.197 -9.237 1.00 0.00 N ATOM 938 CA GLU A 61 -11.422 5.623 -9.488 1.00 0.00 C ATOM 939 C GLU A 61 -12.503 6.690 -9.357 1.00 0.00 C ATOM 940 O GLU A 61 -12.225 7.818 -8.948 1.00 0.00 O ATOM 941 CB GLU A 61 -11.697 4.474 -8.515 1.00 0.00 C ATOM 942 CG GLU A 61 -12.318 3.254 -9.174 1.00 0.00 C ATOM 943 CD GLU A 61 -11.283 2.237 -9.613 1.00 0.00 C ATOM 944 OE1 GLU A 61 -10.688 2.424 -10.695 1.00 0.00 O ATOM 945 OE2 GLU A 61 -11.066 1.253 -8.874 1.00 0.00 O ATOM 0 H GLU A 61 -9.895 6.350 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.438 5.233 -10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.762 4.182 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.361 4.828 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.012 2.783 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.901 3.570 -10.039 1.00 0.00 H new ATOM 952 N GLY A 62 -13.737 6.330 -9.706 1.00 0.00 N ATOM 953 CA GLY A 62 -14.842 7.273 -9.617 1.00 0.00 C ATOM 954 C GLY A 62 -14.838 8.060 -8.319 1.00 0.00 C ATOM 955 O GLY A 62 -15.318 9.193 -8.270 1.00 0.00 O ATOM 0 H GLY A 62 -13.992 5.404 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.792 7.966 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.784 6.732 -9.706 1.00 0.00 H new ATOM 959 N ASN A 63 -14.290 7.457 -7.269 1.00 0.00 N ATOM 960 CA ASN A 63 -14.216 8.103 -5.964 1.00 0.00 C ATOM 961 C ASN A 63 -13.167 7.425 -5.088 1.00 0.00 C ATOM 962 O ASN A 63 -13.340 7.307 -3.874 1.00 0.00 O ATOM 963 CB ASN A 63 -15.579 8.064 -5.272 1.00 0.00 C ATOM 964 CG ASN A 63 -15.768 9.212 -4.299 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.963 10.359 -4.703 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.712 8.908 -3.007 1.00 0.00 N ATOM 0 H ASN A 63 -13.890 6.519 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.926 9.143 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.366 8.096 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.686 7.119 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.833 9.639 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.548 7.944 -2.717 1.00 0.00 H new ATOM 973 N TYR A 64 -12.081 6.977 -5.712 1.00 0.00 N ATOM 974 CA TYR A 64 -11.005 6.304 -4.990 1.00 0.00 C ATOM 975 C TYR A 64 -9.661 6.494 -5.692 1.00 0.00 C ATOM 976 O TYR A 64 -9.593 7.004 -6.810 1.00 0.00 O ATOM 977 CB TYR A 64 -11.299 4.805 -4.875 1.00 0.00 C ATOM 978 CG TYR A 64 -12.347 4.445 -3.842 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.701 4.607 -4.110 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.980 3.930 -2.605 1.00 0.00 C ATOM 981 CE1 TYR A 64 -14.658 4.267 -3.172 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.933 3.589 -1.663 1.00 0.00 C ATOM 983 CZ TYR A 64 -14.270 3.758 -1.952 1.00 0.00 C ATOM 984 OH TYR A 64 -15.220 3.418 -1.017 1.00 0.00 O ATOM 0 H TYR A 64 -11.923 7.068 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.949 6.749 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.625 4.436 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.373 4.284 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -14.010 5.004 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.933 3.794 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.706 4.400 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.631 3.192 -0.705 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.779 3.177 -0.175 1.00 0.00 H new ATOM 994 N ILE A 65 -8.600 6.049 -5.027 1.00 0.00 N ATOM 995 CA ILE A 65 -7.247 6.125 -5.571 1.00 0.00 C ATOM 996 C ILE A 65 -6.440 4.914 -5.147 1.00 0.00 C ATOM 997 O ILE A 65 -6.701 4.314 -4.106 1.00 0.00 O ATOM 998 CB ILE A 65 -6.464 7.370 -5.095 1.00 0.00 C ATOM 999 CG1 ILE A 65 -7.101 8.656 -5.586 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -5.018 7.307 -5.580 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -6.175 9.843 -5.437 1.00 0.00 C ATOM 0 H ILE A 65 -8.652 5.627 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.374 6.176 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.488 7.369 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.381 8.544 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.019 8.841 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.480 8.191 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.539 6.413 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.001 7.272 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.673 10.741 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.916 9.973 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.268 9.671 -6.016 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.427 4.598 -5.934 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.555 3.498 -5.607 1.00 0.00 C ATOM 1015 C GLY A 66 -3.119 3.831 -5.927 1.00 0.00 C ATOM 1016 O GLY A 66 -2.553 3.324 -6.897 1.00 0.00 O ATOM 0 H GLY A 66 -5.194 5.088 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.649 3.258 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.859 2.611 -6.163 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.531 4.702 -5.118 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.157 5.115 -5.331 1.00 0.00 C ATOM 1022 C HIS A 67 -0.233 3.901 -5.374 1.00 0.00 C ATOM 1023 O HIS A 67 -0.597 2.814 -4.926 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.705 6.091 -4.245 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.478 7.371 -4.244 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.556 8.207 -5.338 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.218 7.953 -3.275 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.313 9.249 -5.039 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.726 9.119 -3.793 1.00 0.00 N ATOM 0 H HIS A 67 -2.985 5.133 -4.312 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.104 5.627 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.806 5.613 -3.271 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.353 6.313 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.380 7.572 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.552 10.067 -5.702 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.325 9.777 -3.295 1.00 0.00 H new ATOM 1038 N VAL A 68 0.952 4.088 -5.935 1.00 0.00 N ATOM 1039 CA VAL A 68 1.922 3.009 -6.062 1.00 0.00 C ATOM 1040 C VAL A 68 3.339 3.568 -6.077 1.00 0.00 C ATOM 1041 O VAL A 68 3.600 4.602 -6.691 1.00 0.00 O ATOM 1042 CB VAL A 68 1.657 2.207 -7.363 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.928 1.672 -8.001 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.703 1.060 -7.120 1.00 0.00 C ATOM 0 H VAL A 68 1.267 4.982 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 68 1.817 2.344 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 68 1.207 2.917 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.676 1.120 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.586 2.503 -8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.435 1.008 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.539 0.519 -8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.128 0.384 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.247 1.449 -6.754 1.00 0.00 H new ATOM 1054 N TYR A 69 4.251 2.868 -5.421 1.00 0.00 N ATOM 1055 CA TYR A 69 5.642 3.287 -5.385 1.00 0.00 C ATOM 1056 C TYR A 69 6.566 2.079 -5.307 1.00 0.00 C ATOM 1057 O TYR A 69 6.563 1.333 -4.324 1.00 0.00 O ATOM 1058 CB TYR A 69 5.891 4.232 -4.211 1.00 0.00 C ATOM 1059 CG TYR A 69 5.990 5.685 -4.622 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.853 6.413 -4.952 1.00 0.00 C ATOM 1061 CD2 TYR A 69 7.219 6.327 -4.682 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.939 7.740 -5.331 1.00 0.00 C ATOM 1063 CE2 TYR A 69 7.313 7.653 -5.059 1.00 0.00 C ATOM 1064 CZ TYR A 69 6.172 8.355 -5.382 1.00 0.00 C ATOM 1065 OH TYR A 69 6.263 9.675 -5.758 1.00 0.00 O ATOM 0 H TYR A 69 4.053 2.009 -4.908 1.00 0.00 H new ATOM 0 HA TYR A 69 5.860 3.824 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.084 4.121 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.813 3.940 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.886 5.934 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.116 5.781 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.046 8.291 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.277 8.138 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 69 6.774 10.172 -5.086 1.00 0.00 H new ATOM 1075 N ALA A 70 7.349 1.889 -6.360 1.00 0.00 N ATOM 1076 CA ALA A 70 8.281 0.773 -6.428 1.00 0.00 C ATOM 1077 C ALA A 70 9.722 1.263 -6.362 1.00 0.00 C ATOM 1078 O ALA A 70 10.043 2.348 -6.845 1.00 0.00 O ATOM 1079 CB ALA A 70 8.054 -0.028 -7.700 1.00 0.00 C ATOM 0 H ALA A 70 7.357 2.495 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 70 8.101 0.127 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.758 -0.859 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.035 -0.415 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.206 0.615 -8.567 1.00 0.00 H new ATOM 1085 N ARG A 71 10.588 0.455 -5.762 1.00 0.00 N ATOM 1086 CA ARG A 71 11.997 0.808 -5.635 1.00 0.00 C ATOM 1087 C ARG A 71 12.840 0.037 -6.644 1.00 0.00 C ATOM 1088 O ARG A 71 12.434 -1.018 -7.130 1.00 0.00 O ATOM 1089 CB ARG A 71 12.490 0.521 -4.215 1.00 0.00 C ATOM 1090 CG ARG A 71 13.628 1.426 -3.772 1.00 0.00 C ATOM 1091 CD ARG A 71 13.149 2.847 -3.525 1.00 0.00 C ATOM 1092 NE ARG A 71 14.191 3.832 -3.801 1.00 0.00 N ATOM 1093 CZ ARG A 71 15.186 4.113 -2.963 1.00 0.00 C ATOM 1094 NH1 ARG A 71 15.276 3.487 -1.796 1.00 0.00 N ATOM 1095 NH2 ARG A 71 16.093 5.022 -3.291 1.00 0.00 N ATOM 0 H ARG A 71 10.340 -0.447 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 71 12.101 1.874 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.657 0.632 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.818 -0.517 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.076 1.029 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.407 1.431 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.282 3.051 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.823 2.945 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 71 14.154 4.334 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.581 2.787 -1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.041 3.706 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.029 5.507 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.855 5.237 -2.648 1.00 0.00 H new ATOM 1109 N SER A 72 14.017 0.570 -6.954 1.00 0.00 N ATOM 1110 CA SER A 72 14.920 -0.071 -7.902 1.00 0.00 C ATOM 1111 C SER A 72 15.291 -1.478 -7.439 1.00 0.00 C ATOM 1112 O SER A 72 15.741 -2.304 -8.235 1.00 0.00 O ATOM 1113 CB SER A 72 16.186 0.770 -8.081 1.00 0.00 C ATOM 1114 OG SER A 72 16.782 1.068 -6.832 1.00 0.00 O ATOM 0 H SER A 72 14.368 1.444 -6.562 1.00 0.00 H new ATOM 0 HA SER A 72 14.404 -0.149 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.898 0.232 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.940 1.696 -8.600 1.00 0.00 H new ATOM 0 HG SER A 72 17.590 1.604 -6.975 1.00 0.00 H new ATOM 1120 N GLU A 73 15.102 -1.746 -6.148 1.00 0.00 N ATOM 1121 CA GLU A 73 15.416 -3.050 -5.578 1.00 0.00 C ATOM 1122 C GLU A 73 14.809 -4.182 -6.405 1.00 0.00 C ATOM 1123 O GLU A 73 15.504 -4.837 -7.183 1.00 0.00 O ATOM 1124 CB GLU A 73 14.904 -3.125 -4.141 1.00 0.00 C ATOM 1125 CG GLU A 73 15.738 -2.321 -3.156 1.00 0.00 C ATOM 1126 CD GLU A 73 17.186 -2.771 -3.116 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.471 -3.897 -3.576 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.034 -1.997 -2.625 1.00 0.00 O ATOM 0 H GLU A 73 14.731 -1.073 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 73 16.499 -3.170 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.875 -2.766 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.887 -4.168 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.696 -1.266 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.305 -2.412 -2.160 1.00 0.00 H new ATOM 1135 N GLY A 74 13.510 -4.411 -6.228 1.00 0.00 N ATOM 1136 CA GLY A 74 12.839 -5.466 -6.964 1.00 0.00 C ATOM 1137 C GLY A 74 11.422 -5.718 -6.477 1.00 0.00 C ATOM 1138 O GLY A 74 10.571 -6.171 -7.242 1.00 0.00 O ATOM 0 H GLY A 74 12.913 -3.886 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.813 -5.204 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.417 -6.386 -6.878 1.00 0.00 H new ATOM 1142 N ILE A 75 11.166 -5.426 -5.203 1.00 0.00 N ATOM 1143 CA ILE A 75 9.837 -5.629 -4.631 1.00 0.00 C ATOM 1144 C ILE A 75 9.151 -4.280 -4.384 1.00 0.00 C ATOM 1145 O ILE A 75 9.619 -3.465 -3.589 1.00 0.00 O ATOM 1146 CB ILE A 75 9.893 -6.504 -3.336 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.523 -5.723 -2.065 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.270 -7.137 -3.168 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.621 -4.809 -1.563 1.00 0.00 C ATOM 0 H ILE A 75 11.856 -5.051 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 75 9.236 -6.183 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 75 9.143 -7.285 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.631 -5.128 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.265 -6.431 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.285 -7.741 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.487 -7.770 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.024 -6.353 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.283 -4.294 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.508 -5.399 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.864 -4.076 -2.332 1.00 0.00 H new ATOM 1161 N CYS A 76 8.055 -4.045 -5.102 1.00 0.00 N ATOM 1162 CA CYS A 76 7.314 -2.789 -4.994 1.00 0.00 C ATOM 1163 C CYS A 76 6.195 -2.870 -3.964 1.00 0.00 C ATOM 1164 O CYS A 76 5.759 -3.954 -3.582 1.00 0.00 O ATOM 1165 CB CYS A 76 6.735 -2.404 -6.357 1.00 0.00 C ATOM 1166 SG CYS A 76 5.452 -3.526 -6.962 1.00 0.00 S ATOM 0 H CYS A 76 7.659 -4.710 -5.767 1.00 0.00 H new ATOM 0 HA CYS A 76 8.016 -2.025 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.321 -1.398 -6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.544 -2.369 -7.086 1.00 0.00 H new ATOM 0 HG CYS A 76 5.014 -4.255 -5.979 1.00 0.00 H new ATOM 1172 N GLY A 77 5.724 -1.702 -3.531 1.00 0.00 N ATOM 1173 CA GLY A 77 4.644 -1.644 -2.563 1.00 0.00 C ATOM 1174 C GLY A 77 3.515 -0.769 -3.056 1.00 0.00 C ATOM 1175 O GLY A 77 3.749 0.149 -3.842 1.00 0.00 O ATOM 0 H GLY A 77 6.073 -0.793 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.271 -2.650 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.021 -1.257 -1.616 1.00 0.00 H new ATOM 1179 N VAL A 78 2.287 -1.041 -2.618 1.00 0.00 N ATOM 1180 CA VAL A 78 1.161 -0.238 -3.073 1.00 0.00 C ATOM 1181 C VAL A 78 0.494 0.526 -1.931 1.00 0.00 C ATOM 1182 O VAL A 78 0.403 0.048 -0.794 1.00 0.00 O ATOM 1183 CB VAL A 78 0.112 -1.091 -3.830 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.136 -0.288 -4.172 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.725 -1.691 -5.087 1.00 0.00 C ATOM 0 H VAL A 78 2.053 -1.790 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 78 1.574 0.493 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.196 -1.899 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.844 -0.925 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.595 0.080 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.863 0.556 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.024 -2.287 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.071 -0.890 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.568 -2.325 -4.814 1.00 0.00 H new ATOM 1195 N LEU A 79 0.026 1.724 -2.268 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.651 2.605 -1.325 1.00 0.00 C ATOM 1197 C LEU A 79 -1.975 3.077 -1.924 1.00 0.00 C ATOM 1198 O LEU A 79 -1.986 3.895 -2.839 1.00 0.00 O ATOM 1199 CB LEU A 79 0.248 3.805 -1.013 1.00 0.00 C ATOM 1200 CG LEU A 79 0.196 4.305 0.429 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.249 5.379 0.658 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.190 4.841 0.747 1.00 0.00 C ATOM 0 H LEU A 79 0.107 2.112 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.856 2.065 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.278 3.537 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.028 4.626 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 79 0.408 3.470 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.198 5.724 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.239 4.966 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.066 6.217 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.216 5.195 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.424 5.666 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.926 4.047 0.617 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.093 2.552 -1.424 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.406 2.932 -1.954 1.00 0.00 C ATOM 1216 C ILE A 80 -5.103 3.957 -1.063 1.00 0.00 C ATOM 1217 O ILE A 80 -5.287 3.738 0.133 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.348 1.710 -2.164 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.740 0.434 -1.597 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.659 1.518 -3.639 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -3.543 -0.064 -2.373 1.00 0.00 C ATOM 0 H ILE A 80 -3.119 1.872 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.207 3.380 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.274 1.918 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.444 0.611 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.502 -0.345 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.318 0.659 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.149 2.411 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.732 1.346 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.163 -0.975 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.838 -0.274 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.763 0.698 -2.367 1.00 0.00 H new ATOM 1233 N THR A 81 -5.485 5.077 -1.669 1.00 0.00 N ATOM 1234 CA THR A 81 -6.163 6.159 -0.959 1.00 0.00 C ATOM 1235 C THR A 81 -7.420 6.584 -1.697 1.00 0.00 C ATOM 1236 O THR A 81 -7.792 5.988 -2.701 1.00 0.00 O ATOM 1237 CB THR A 81 -5.247 7.376 -0.837 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.159 8.057 -2.077 1.00 0.00 O ATOM 1239 CG2 THR A 81 -3.844 7.040 -0.414 1.00 0.00 C ATOM 0 H THR A 81 -5.335 5.261 -2.661 1.00 0.00 H new ATOM 0 HA THR A 81 -6.425 5.786 0.031 1.00 0.00 H new ATOM 0 HB THR A 81 -5.702 7.995 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.794 7.453 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.255 7.955 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.865 6.552 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.394 6.369 -1.146 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.044 7.648 -1.210 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.231 8.193 -1.847 1.00 0.00 C ATOM 1249 C ASP A 82 -8.819 9.360 -2.734 1.00 0.00 C ATOM 1250 O ASP A 82 -7.733 9.915 -2.565 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.246 8.656 -0.799 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.532 9.161 -1.425 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.528 10.287 -1.963 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.543 8.429 -1.376 1.00 0.00 O ATOM 0 H ASP A 82 -7.746 8.150 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.705 7.418 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.473 7.829 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.804 9.448 -0.194 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.668 9.731 -3.684 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.351 10.834 -4.587 1.00 0.00 C ATOM 1261 C LYS A 83 -8.873 12.062 -3.811 1.00 0.00 C ATOM 1262 O LYS A 83 -8.122 12.885 -4.335 1.00 0.00 O ATOM 1263 CB LYS A 83 -10.571 11.193 -5.440 1.00 0.00 C ATOM 1264 CG LYS A 83 -11.829 11.445 -4.627 1.00 0.00 C ATOM 1265 CD LYS A 83 -12.975 11.925 -5.504 1.00 0.00 C ATOM 1266 CE LYS A 83 -13.783 13.015 -4.819 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.036 14.301 -4.750 1.00 0.00 N ATOM 0 H LYS A 83 -10.573 9.291 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.543 10.509 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.344 12.083 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.761 10.385 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.121 10.529 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.623 12.189 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.579 12.302 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.626 11.085 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.718 13.167 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.045 12.693 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.229 14.766 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.016 14.115 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.340 14.921 -5.527 1.00 0.00 H new ATOM 1281 N GLN A 84 -9.307 12.173 -2.557 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.916 13.293 -1.708 1.00 0.00 C ATOM 1283 C GLN A 84 -7.772 12.897 -0.775 1.00 0.00 C ATOM 1284 O GLN A 84 -7.885 13.000 0.446 1.00 0.00 O ATOM 1285 CB GLN A 84 -10.115 13.782 -0.893 1.00 0.00 C ATOM 1286 CG GLN A 84 -11.319 14.149 -1.745 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.975 15.443 -1.303 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.297 16.430 -1.017 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -13.302 15.444 -1.246 1.00 0.00 N ATOM 0 H GLN A 84 -9.929 11.501 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.569 14.102 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.404 13.005 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.816 14.651 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.008 14.241 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.050 13.342 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.824 14.603 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.799 16.286 -0.956 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.672 12.442 -1.366 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.500 12.026 -0.612 1.00 0.00 C ATOM 1300 C TYR A 85 -4.254 12.216 -1.473 1.00 0.00 C ATOM 1301 O TYR A 85 -3.909 11.350 -2.277 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.645 10.561 -0.195 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.585 10.069 0.768 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -3.241 10.047 0.410 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.932 9.603 2.032 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -2.278 9.577 1.280 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.972 9.135 2.908 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.648 9.123 2.527 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.688 8.655 3.393 1.00 0.00 O ATOM 0 H TYR A 85 -6.570 12.352 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.406 12.634 0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.625 10.423 0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.621 9.939 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.946 10.404 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.969 9.607 2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.239 9.565 0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.258 8.780 3.887 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.589 9.280 4.141 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.571 13.366 -1.337 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.374 13.672 -2.123 1.00 0.00 C ATOM 1321 C PRO A 86 -1.347 12.546 -2.099 1.00 0.00 C ATOM 1322 O PRO A 86 -1.172 11.867 -1.087 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.810 14.939 -1.464 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.581 15.119 -0.197 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.912 14.466 -0.426 1.00 0.00 C ATOM 0 HA PRO A 86 -2.614 13.804 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.744 14.832 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.925 15.804 -2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.061 14.661 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.701 16.176 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.351 14.103 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.631 15.154 -0.871 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.671 12.356 -3.230 1.00 0.00 N ATOM 1334 CA VAL A 87 0.341 11.317 -3.361 1.00 0.00 C ATOM 1335 C VAL A 87 1.646 11.720 -2.682 1.00 0.00 C ATOM 1336 O VAL A 87 2.425 10.865 -2.261 1.00 0.00 O ATOM 1337 CB VAL A 87 0.622 11.002 -4.844 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.126 12.240 -5.569 1.00 0.00 C ATOM 1339 CG2 VAL A 87 1.618 9.859 -4.970 1.00 0.00 C ATOM 0 H VAL A 87 -0.809 12.914 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.053 10.427 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.312 10.692 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.318 11.997 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.374 13.027 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.048 12.585 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.803 9.652 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.554 10.137 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.212 8.968 -4.491 1.00 0.00 H new ATOM 1349 N ARG A 88 1.884 13.026 -2.584 1.00 0.00 N ATOM 1350 CA ARG A 88 3.102 13.542 -1.962 1.00 0.00 C ATOM 1351 C ARG A 88 3.402 12.826 -0.647 1.00 0.00 C ATOM 1352 O ARG A 88 4.483 12.261 -0.479 1.00 0.00 O ATOM 1353 CB ARG A 88 2.987 15.049 -1.740 1.00 0.00 C ATOM 1354 CG ARG A 88 2.524 15.793 -2.979 1.00 0.00 C ATOM 1355 CD ARG A 88 1.283 16.628 -2.704 1.00 0.00 C ATOM 1356 NE ARG A 88 1.149 17.736 -3.646 1.00 0.00 N ATOM 1357 CZ ARG A 88 0.679 17.603 -4.884 1.00 0.00 C ATOM 1358 NH1 ARG A 88 0.299 16.413 -5.334 1.00 0.00 N ATOM 1359 NH2 ARG A 88 0.588 18.664 -5.675 1.00 0.00 N ATOM 0 H ARG A 88 1.249 13.747 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 88 3.933 13.350 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.288 15.239 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.955 15.440 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.326 16.440 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.313 15.079 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.399 15.993 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.327 17.020 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 88 1.432 18.666 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.366 15.594 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.060 16.318 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.878 19.581 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.228 18.563 -6.624 1.00 0.00 H new ATOM 1373 N PRO A 89 2.449 12.809 0.302 1.00 0.00 N ATOM 1374 CA PRO A 89 2.649 12.121 1.575 1.00 0.00 C ATOM 1375 C PRO A 89 2.715 10.619 1.370 1.00 0.00 C ATOM 1376 O PRO A 89 3.361 9.903 2.135 1.00 0.00 O ATOM 1377 CB PRO A 89 1.420 12.509 2.396 1.00 0.00 C ATOM 1378 CG PRO A 89 0.377 12.833 1.383 1.00 0.00 C ATOM 1379 CD PRO A 89 1.110 13.422 0.208 1.00 0.00 C ATOM 0 HA PRO A 89 3.584 12.397 2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.103 11.692 3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.627 13.364 3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.174 11.939 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.350 13.539 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.621 13.178 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.160 14.509 0.269 1.00 0.00 H new ATOM 1387 N ALA A 90 2.075 10.151 0.303 1.00 0.00 N ATOM 1388 CA ALA A 90 2.104 8.738 -0.025 1.00 0.00 C ATOM 1389 C ALA A 90 3.490 8.384 -0.528 1.00 0.00 C ATOM 1390 O ALA A 90 3.949 7.256 -0.375 1.00 0.00 O ATOM 1391 CB ALA A 90 1.039 8.396 -1.058 1.00 0.00 C ATOM 0 H ALA A 90 1.535 10.728 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 90 1.883 8.151 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.082 7.331 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.054 8.642 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.217 8.970 -1.968 1.00 0.00 H new ATOM 1397 N TYR A 91 4.173 9.379 -1.092 1.00 0.00 N ATOM 1398 CA TYR A 91 5.529 9.185 -1.562 1.00 0.00 C ATOM 1399 C TYR A 91 6.433 9.089 -0.344 1.00 0.00 C ATOM 1400 O TYR A 91 7.351 8.268 -0.292 1.00 0.00 O ATOM 1401 CB TYR A 91 5.962 10.340 -2.475 1.00 0.00 C ATOM 1402 CG TYR A 91 7.454 10.398 -2.740 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.234 9.248 -2.718 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.079 11.609 -3.011 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.592 9.303 -2.960 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.438 11.671 -3.255 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.190 10.515 -3.227 1.00 0.00 C ATOM 1408 OH TYR A 91 11.544 10.574 -3.469 1.00 0.00 O ATOM 0 H TYR A 91 3.805 10.320 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 91 5.595 8.271 -2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.439 10.251 -3.427 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.648 11.282 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.770 8.296 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.494 12.516 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.183 8.399 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.909 12.620 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 91 11.805 11.503 -3.641 1.00 0.00 H new ATOM 1418 N THR A 92 6.132 9.915 0.660 1.00 0.00 N ATOM 1419 CA THR A 92 6.886 9.906 1.900 1.00 0.00 C ATOM 1420 C THR A 92 6.682 8.574 2.606 1.00 0.00 C ATOM 1421 O THR A 92 7.637 7.937 3.049 1.00 0.00 O ATOM 1422 CB THR A 92 6.431 11.044 2.808 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.229 12.233 2.063 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.412 11.355 3.917 1.00 0.00 C ATOM 0 H THR A 92 5.372 10.595 0.632 1.00 0.00 H new ATOM 0 HA THR A 92 7.943 10.043 1.672 1.00 0.00 H new ATOM 0 HB THR A 92 5.500 10.699 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.936 12.950 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.027 12.174 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.547 10.472 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.370 11.644 3.485 1.00 0.00 H new ATOM 1432 N LEU A 93 5.422 8.154 2.693 1.00 0.00 N ATOM 1433 CA LEU A 93 5.089 6.891 3.329 1.00 0.00 C ATOM 1434 C LEU A 93 5.649 5.740 2.517 1.00 0.00 C ATOM 1435 O LEU A 93 6.279 4.829 3.053 1.00 0.00 O ATOM 1436 CB LEU A 93 3.573 6.737 3.496 1.00 0.00 C ATOM 1437 CG LEU A 93 3.078 5.300 3.719 1.00 0.00 C ATOM 1438 CD1 LEU A 93 3.933 4.588 4.758 1.00 0.00 C ATOM 1439 CD2 LEU A 93 1.619 5.297 4.141 1.00 0.00 C ATOM 0 H LEU A 93 4.620 8.671 2.331 1.00 0.00 H new ATOM 0 HA LEU A 93 5.537 6.880 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.253 7.349 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.084 7.138 2.608 1.00 0.00 H new ATOM 0 HG LEU A 93 3.167 4.761 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.564 3.572 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.967 4.554 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.881 5.128 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.287 4.270 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.508 5.857 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.014 5.762 3.362 1.00 0.00 H new ATOM 1451 N LEU A 94 5.430 5.801 1.214 1.00 0.00 N ATOM 1452 CA LEU A 94 5.929 4.779 0.318 1.00 0.00 C ATOM 1453 C LEU A 94 7.454 4.752 0.357 1.00 0.00 C ATOM 1454 O LEU A 94 8.083 3.767 -0.038 1.00 0.00 O ATOM 1455 CB LEU A 94 5.430 5.026 -1.105 1.00 0.00 C ATOM 1456 CG LEU A 94 3.953 4.692 -1.326 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.364 5.553 -2.432 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.783 3.214 -1.646 1.00 0.00 C ATOM 0 H LEU A 94 4.909 6.549 0.756 1.00 0.00 H new ATOM 0 HA LEU A 94 5.554 3.809 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.594 6.074 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.031 4.434 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 94 3.412 4.909 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.313 5.298 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.449 6.605 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.907 5.374 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.727 2.994 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.340 2.971 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.161 2.616 -0.816 1.00 0.00 H new ATOM 1470 N ASN A 95 8.044 5.833 0.864 1.00 0.00 N ATOM 1471 CA ASN A 95 9.495 5.921 0.975 1.00 0.00 C ATOM 1472 C ASN A 95 9.979 5.102 2.162 1.00 0.00 C ATOM 1473 O ASN A 95 10.804 4.199 2.017 1.00 0.00 O ATOM 1474 CB ASN A 95 9.933 7.378 1.125 1.00 0.00 C ATOM 1475 CG ASN A 95 11.434 7.546 0.990 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.202 7.076 1.829 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.860 8.221 -0.073 1.00 0.00 N ATOM 0 H ASN A 95 7.542 6.654 1.202 1.00 0.00 H new ATOM 0 HA ASN A 95 9.938 5.519 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.433 7.985 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.614 7.752 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.859 8.367 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.188 8.593 -0.744 1.00 0.00 H new ATOM 1484 N LYS A 96 9.450 5.423 3.336 1.00 0.00 N ATOM 1485 CA LYS A 96 9.814 4.719 4.555 1.00 0.00 C ATOM 1486 C LYS A 96 9.423 3.249 4.460 1.00 0.00 C ATOM 1487 O LYS A 96 10.190 2.373 4.842 1.00 0.00 O ATOM 1488 CB LYS A 96 9.135 5.362 5.764 1.00 0.00 C ATOM 1489 CG LYS A 96 9.932 6.505 6.373 1.00 0.00 C ATOM 1490 CD LYS A 96 9.090 7.763 6.510 1.00 0.00 C ATOM 1491 CE LYS A 96 9.918 9.016 6.273 1.00 0.00 C ATOM 1492 NZ LYS A 96 10.321 9.153 4.847 1.00 0.00 N ATOM 0 H LYS A 96 8.766 6.168 3.468 1.00 0.00 H new ATOM 0 HA LYS A 96 10.895 4.787 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.154 5.733 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.969 4.600 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.305 6.208 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.802 6.715 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.266 7.730 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.649 7.800 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.344 9.893 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.809 8.987 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.543 10.148 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.161 8.567 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.541 8.839 4.234 1.00 0.00 H new ATOM 1506 N ILE A 97 8.223 2.989 3.949 1.00 0.00 N ATOM 1507 CA ILE A 97 7.723 1.630 3.803 1.00 0.00 C ATOM 1508 C ILE A 97 8.671 0.770 2.975 1.00 0.00 C ATOM 1509 O ILE A 97 9.114 -0.284 3.424 1.00 0.00 O ATOM 1510 CB ILE A 97 6.318 1.647 3.173 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.574 0.354 3.431 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.361 1.918 1.682 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.170 0.402 2.890 1.00 0.00 C ATOM 0 H ILE A 97 7.576 3.709 3.628 1.00 0.00 H new ATOM 0 HA ILE A 97 7.661 1.186 4.797 1.00 0.00 H new ATOM 0 HB ILE A 97 5.782 2.465 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.113 -0.474 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.544 0.159 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.347 1.920 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.824 2.888 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.944 1.141 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.669 -0.544 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.623 1.214 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.200 0.571 1.814 1.00 0.00 H new ATOM 1525 N LEU A 98 8.981 1.224 1.767 1.00 0.00 N ATOM 1526 CA LEU A 98 9.883 0.489 0.884 1.00 0.00 C ATOM 1527 C LEU A 98 11.207 0.196 1.591 1.00 0.00 C ATOM 1528 O LEU A 98 11.748 -0.910 1.498 1.00 0.00 O ATOM 1529 CB LEU A 98 10.138 1.287 -0.397 1.00 0.00 C ATOM 1530 CG LEU A 98 9.371 0.800 -1.628 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.720 -0.649 -1.937 1.00 0.00 C ATOM 1532 CD2 LEU A 98 7.872 0.958 -1.419 1.00 0.00 C ATOM 0 H LEU A 98 8.623 2.095 1.375 1.00 0.00 H new ATOM 0 HA LEU A 98 9.411 -0.458 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.878 2.330 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.205 1.259 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 98 9.665 1.412 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.165 -0.978 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.789 -0.732 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.456 -1.276 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.342 0.607 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.561 0.372 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.637 2.009 -1.249 1.00 0.00 H new ATOM 1544 N ASP A 99 11.713 1.192 2.311 1.00 0.00 N ATOM 1545 CA ASP A 99 12.963 1.047 3.045 1.00 0.00 C ATOM 1546 C ASP A 99 12.745 0.212 4.298 1.00 0.00 C ATOM 1547 O ASP A 99 13.659 -0.451 4.788 1.00 0.00 O ATOM 1548 CB ASP A 99 13.524 2.420 3.421 1.00 0.00 C ATOM 1549 CG ASP A 99 14.936 2.339 3.967 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.691 1.446 3.529 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.287 3.168 4.832 1.00 0.00 O ATOM 0 H ASP A 99 11.275 2.109 2.401 1.00 0.00 H new ATOM 0 HA ASP A 99 13.683 0.539 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.514 3.066 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.876 2.883 4.165 1.00 0.00 H new ATOM 1556 N GLU A 100 11.521 0.253 4.809 1.00 0.00 N ATOM 1557 CA GLU A 100 11.165 -0.492 6.001 1.00 0.00 C ATOM 1558 C GLU A 100 10.931 -1.961 5.665 1.00 0.00 C ATOM 1559 O GLU A 100 11.191 -2.840 6.487 1.00 0.00 O ATOM 1560 CB GLU A 100 9.930 0.128 6.657 1.00 0.00 C ATOM 1561 CG GLU A 100 9.786 -0.207 8.133 1.00 0.00 C ATOM 1562 CD GLU A 100 9.675 -1.696 8.392 1.00 0.00 C ATOM 1563 OE1 GLU A 100 9.038 -2.393 7.577 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.228 -2.164 9.410 1.00 0.00 O ATOM 0 H GLU A 100 10.757 0.799 4.411 1.00 0.00 H new ATOM 0 HA GLU A 100 11.991 -0.441 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.974 1.211 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.040 -0.212 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.645 0.188 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.902 0.292 8.529 1.00 0.00 H new ATOM 1571 N TYR A 101 10.468 -2.233 4.447 1.00 0.00 N ATOM 1572 CA TYR A 101 10.239 -3.607 4.030 1.00 0.00 C ATOM 1573 C TYR A 101 11.571 -4.304 3.800 1.00 0.00 C ATOM 1574 O TYR A 101 11.762 -5.450 4.205 1.00 0.00 O ATOM 1575 CB TYR A 101 9.391 -3.695 2.762 1.00 0.00 C ATOM 1576 CG TYR A 101 9.011 -5.125 2.446 1.00 0.00 C ATOM 1577 CD1 TYR A 101 9.845 -5.930 1.682 1.00 0.00 C ATOM 1578 CD2 TYR A 101 7.837 -5.680 2.944 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.519 -7.246 1.417 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.509 -6.999 2.691 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.354 -7.776 1.926 1.00 0.00 C ATOM 1582 OH TYR A 101 8.041 -9.093 1.680 1.00 0.00 O ATOM 0 H TYR A 101 10.248 -1.529 3.743 1.00 0.00 H new ATOM 0 HA TYR A 101 9.688 -4.101 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.488 -3.096 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 101 9.943 -3.271 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 101 10.764 -5.521 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.171 -5.071 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.175 -7.856 0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.597 -7.418 3.090 1.00 0.00 H new ATOM 0 HH TYR A 101 7.288 -9.362 2.247 1.00 0.00 H new ATOM 1592 N LEU A 102 12.496 -3.601 3.150 1.00 0.00 N ATOM 1593 CA LEU A 102 13.814 -4.157 2.874 1.00 0.00 C ATOM 1594 C LEU A 102 14.647 -4.252 4.149 1.00 0.00 C ATOM 1595 O LEU A 102 15.552 -5.078 4.244 1.00 0.00 O ATOM 1596 CB LEU A 102 14.554 -3.328 1.822 1.00 0.00 C ATOM 1597 CG LEU A 102 14.707 -1.842 2.137 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.977 -1.597 2.939 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.726 -1.031 0.849 1.00 0.00 C ATOM 0 H LEU A 102 12.356 -2.651 2.807 1.00 0.00 H new ATOM 0 HA LEU A 102 13.668 -5.163 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.547 -3.755 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.028 -3.427 0.872 1.00 0.00 H new ATOM 0 HG LEU A 102 13.855 -1.523 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.071 -0.533 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.930 -2.155 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.841 -1.928 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.836 0.027 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.563 -1.352 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.793 -1.186 0.307 1.00 0.00 H new ATOM 1611 N VAL A 103 14.348 -3.402 5.126 1.00 0.00 N ATOM 1612 CA VAL A 103 15.087 -3.410 6.383 1.00 0.00 C ATOM 1613 C VAL A 103 14.743 -4.639 7.216 1.00 0.00 C ATOM 1614 O VAL A 103 15.633 -5.327 7.715 1.00 0.00 O ATOM 1615 CB VAL A 103 14.809 -2.150 7.225 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.116 -2.418 8.694 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.621 -0.972 6.709 1.00 0.00 C ATOM 0 H VAL A 103 13.606 -2.705 5.073 1.00 0.00 H new ATOM 0 HA VAL A 103 16.144 -3.430 6.116 1.00 0.00 H new ATOM 0 HB VAL A 103 13.753 -1.897 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.915 -1.519 9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.488 -3.233 9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.165 -2.694 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.411 -0.092 7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.683 -1.209 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.351 -0.770 5.672 1.00 0.00 H new ATOM 1627 N ALA A 104 13.447 -4.905 7.369 1.00 0.00 N ATOM 1628 CA ALA A 104 12.981 -6.050 8.149 1.00 0.00 C ATOM 1629 C ALA A 104 13.806 -7.299 7.854 1.00 0.00 C ATOM 1630 O ALA A 104 13.905 -8.203 8.684 1.00 0.00 O ATOM 1631 CB ALA A 104 11.510 -6.309 7.872 1.00 0.00 C ATOM 0 H ALA A 104 12.700 -4.342 6.962 1.00 0.00 H new ATOM 0 HA ALA A 104 13.107 -5.811 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.174 -7.164 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.928 -5.429 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.371 -6.519 6.812 1.00 0.00 H new ATOM 1637 N HIS A 105 14.405 -7.336 6.669 1.00 0.00 N ATOM 1638 CA HIS A 105 15.229 -8.457 6.260 1.00 0.00 C ATOM 1639 C HIS A 105 16.145 -8.053 5.105 1.00 0.00 C ATOM 1640 O HIS A 105 15.700 -7.413 4.154 1.00 0.00 O ATOM 1641 CB HIS A 105 14.356 -9.649 5.857 1.00 0.00 C ATOM 1642 CG HIS A 105 13.209 -9.297 4.954 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.526 -10.242 4.214 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.619 -8.107 4.672 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.571 -9.649 3.518 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.607 -8.357 3.779 1.00 0.00 N ATOM 0 H HIS A 105 14.331 -6.594 5.973 1.00 0.00 H new ATOM 0 HA HIS A 105 15.848 -8.755 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.981 -10.390 5.359 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.963 -10.118 6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.895 -7.144 5.075 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.879 -10.139 2.849 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.983 -7.655 3.381 1.00 0.00 H new ATOM 1655 N PRO A 106 17.444 -8.415 5.186 1.00 0.00 N ATOM 1656 CA PRO A 106 18.453 -8.097 4.175 1.00 0.00 C ATOM 1657 C PRO A 106 17.893 -7.902 2.767 1.00 0.00 C ATOM 1658 O PRO A 106 16.863 -8.467 2.401 1.00 0.00 O ATOM 1659 CB PRO A 106 19.359 -9.321 4.243 1.00 0.00 C ATOM 1660 CG PRO A 106 19.287 -9.787 5.668 1.00 0.00 C ATOM 1661 CD PRO A 106 18.051 -9.167 6.291 1.00 0.00 C ATOM 0 HA PRO A 106 18.945 -7.145 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.022 -10.098 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.382 -9.070 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.234 -10.875 5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.182 -9.489 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.373 -9.928 6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.308 -8.515 7.126 1.00 0.00 H new ATOM 1669 N LYS A 107 18.585 -7.078 1.988 1.00 0.00 N ATOM 1670 CA LYS A 107 18.176 -6.767 0.621 1.00 0.00 C ATOM 1671 C LYS A 107 17.850 -8.019 -0.192 1.00 0.00 C ATOM 1672 O LYS A 107 16.724 -8.193 -0.657 1.00 0.00 O ATOM 1673 CB LYS A 107 19.274 -5.964 -0.082 1.00 0.00 C ATOM 1674 CG LYS A 107 18.773 -4.676 -0.713 1.00 0.00 C ATOM 1675 CD LYS A 107 18.997 -3.481 0.202 1.00 0.00 C ATOM 1676 CE LYS A 107 20.033 -2.525 -0.372 1.00 0.00 C ATOM 1677 NZ LYS A 107 19.844 -1.136 0.128 1.00 0.00 N ATOM 0 H LYS A 107 19.441 -6.608 2.283 1.00 0.00 H new ATOM 0 HA LYS A 107 17.263 -6.175 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.057 -5.726 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.729 -6.584 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.286 -4.511 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.710 -4.769 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.055 -2.953 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.324 -3.828 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 107 21.032 -2.872 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.969 -2.531 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.569 -0.516 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.900 -0.795 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.930 -1.125 1.164 1.00 0.00 H new ATOM 1691 N GLU A 108 18.845 -8.877 -0.385 1.00 0.00 N ATOM 1692 CA GLU A 108 18.661 -10.093 -1.169 1.00 0.00 C ATOM 1693 C GLU A 108 17.746 -11.095 -0.469 1.00 0.00 C ATOM 1694 O GLU A 108 17.093 -11.904 -1.127 1.00 0.00 O ATOM 1695 CB GLU A 108 20.014 -10.745 -1.464 1.00 0.00 C ATOM 1696 CG GLU A 108 20.778 -11.147 -0.213 1.00 0.00 C ATOM 1697 CD GLU A 108 20.377 -12.516 0.300 1.00 0.00 C ATOM 1698 OE1 GLU A 108 20.490 -13.494 -0.468 1.00 0.00 O ATOM 1699 OE2 GLU A 108 19.951 -12.609 1.470 1.00 0.00 O ATOM 0 H GLU A 108 19.786 -8.754 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 108 18.182 -9.804 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.856 -11.628 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.623 -10.053 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.847 -11.142 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.606 -10.406 0.567 1.00 0.00 H new ATOM 1706 N GLU A 109 17.707 -11.047 0.862 1.00 0.00 N ATOM 1707 CA GLU A 109 16.870 -11.967 1.636 1.00 0.00 C ATOM 1708 C GLU A 109 15.491 -12.129 0.999 1.00 0.00 C ATOM 1709 O GLU A 109 14.944 -13.231 0.952 1.00 0.00 O ATOM 1710 CB GLU A 109 16.723 -11.476 3.078 1.00 0.00 C ATOM 1711 CG GLU A 109 15.707 -12.266 3.889 1.00 0.00 C ATOM 1712 CD GLU A 109 16.176 -12.541 5.304 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.404 -12.650 5.512 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.318 -12.649 6.203 1.00 0.00 O ATOM 0 H GLU A 109 18.241 -10.386 1.425 1.00 0.00 H new ATOM 0 HA GLU A 109 17.363 -12.939 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.693 -11.532 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.430 -10.426 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.767 -11.715 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.504 -13.212 3.387 1.00 0.00 H new ATOM 1721 N TRP A 110 14.938 -11.027 0.505 1.00 0.00 N ATOM 1722 CA TRP A 110 13.628 -11.056 -0.135 1.00 0.00 C ATOM 1723 C TRP A 110 13.766 -11.134 -1.647 1.00 0.00 C ATOM 1724 O TRP A 110 13.208 -12.024 -2.286 1.00 0.00 O ATOM 1725 CB TRP A 110 12.795 -9.821 0.236 1.00 0.00 C ATOM 1726 CG TRP A 110 13.599 -8.584 0.516 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.044 -8.163 1.733 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.041 -7.600 -0.434 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.732 -6.983 1.603 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.745 -6.618 0.285 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.915 -7.453 -1.819 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.315 -5.509 -0.332 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.484 -6.352 -2.429 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.176 -5.393 -1.684 1.00 0.00 C ATOM 0 H TRP A 110 15.374 -10.106 0.535 1.00 0.00 H new ATOM 0 HA TRP A 110 13.114 -11.946 0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.100 -9.610 -0.577 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.195 -10.055 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.879 -8.683 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.164 -6.462 2.366 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.381 -8.189 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.849 -4.765 0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.393 -6.230 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.610 -4.543 -2.189 1.00 0.00 H new ATOM 1745 N ALA A 111 14.511 -10.192 -2.209 1.00 0.00 N ATOM 1746 CA ALA A 111 14.727 -10.124 -3.655 1.00 0.00 C ATOM 1747 C ALA A 111 13.456 -10.487 -4.423 1.00 0.00 C ATOM 1748 O ALA A 111 13.525 -11.115 -5.478 1.00 0.00 O ATOM 1749 CB ALA A 111 15.876 -11.033 -4.063 1.00 0.00 C ATOM 0 H ALA A 111 14.982 -9.456 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 111 14.988 -9.096 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.024 -10.971 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.787 -10.719 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.642 -12.061 -3.787 1.00 0.00 H new ATOM 1755 N ASP A 112 12.307 -10.085 -3.859 1.00 0.00 N ATOM 1756 CA ASP A 112 10.971 -10.336 -4.425 1.00 0.00 C ATOM 1757 C ASP A 112 10.144 -11.173 -3.463 1.00 0.00 C ATOM 1758 O ASP A 112 8.946 -10.947 -3.301 1.00 0.00 O ATOM 1759 CB ASP A 112 11.022 -11.019 -5.800 1.00 0.00 C ATOM 1760 CG ASP A 112 11.542 -10.097 -6.888 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.042 -8.957 -6.990 1.00 0.00 O ATOM 1762 OD2 ASP A 112 12.448 -10.517 -7.639 1.00 0.00 O ATOM 0 H ASP A 112 12.279 -9.567 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 112 10.503 -9.362 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.659 -11.901 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.024 -11.365 -6.068 1.00 0.00 H new ATOM 1767 N VAL A 113 10.796 -12.129 -2.814 1.00 0.00 N ATOM 1768 CA VAL A 113 10.137 -12.993 -1.854 1.00 0.00 C ATOM 1769 C VAL A 113 9.293 -14.047 -2.556 1.00 0.00 C ATOM 1770 O VAL A 113 9.547 -15.243 -2.424 1.00 0.00 O ATOM 1771 CB VAL A 113 9.257 -12.183 -0.878 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.768 -13.068 0.251 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.027 -10.991 -0.330 1.00 0.00 C ATOM 0 H VAL A 113 11.789 -12.323 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 113 10.919 -13.492 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 113 8.390 -11.809 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.149 -12.482 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.180 -13.889 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.623 -13.470 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.391 -10.431 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.912 -11.342 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.330 -10.344 -1.153 1.00 0.00 H new ATOM 1920 N LYS A 123 4.533 -2.787 11.179 1.00 0.00 N ATOM 1921 CA LYS A 123 3.952 -1.720 11.988 1.00 0.00 C ATOM 1922 C LYS A 123 4.012 -0.382 11.255 1.00 0.00 C ATOM 1923 O LYS A 123 3.187 0.501 11.484 1.00 0.00 O ATOM 1924 CB LYS A 123 4.683 -1.613 13.329 1.00 0.00 C ATOM 1925 CG LYS A 123 4.840 -2.946 14.044 1.00 0.00 C ATOM 1926 CD LYS A 123 4.762 -2.782 15.553 1.00 0.00 C ATOM 1927 CE LYS A 123 4.231 -4.039 16.224 1.00 0.00 C ATOM 1928 NZ LYS A 123 2.772 -3.948 16.502 1.00 0.00 N ATOM 0 HA LYS A 123 2.906 -1.966 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.670 -1.181 13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.139 -0.925 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.062 -3.632 13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.797 -3.394 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 123 5.752 -2.549 15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.116 -1.938 15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.425 -4.901 15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 123 4.768 -4.206 17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 2.450 -4.825 16.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.588 -3.141 17.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.256 -3.814 15.609 1.00 0.00 H new ATOM 1942 N GLN A 124 4.993 -0.242 10.371 1.00 0.00 N ATOM 1943 CA GLN A 124 5.164 0.983 9.601 1.00 0.00 C ATOM 1944 C GLN A 124 4.000 1.200 8.640 1.00 0.00 C ATOM 1945 O GLN A 124 3.163 2.074 8.853 1.00 0.00 O ATOM 1946 CB GLN A 124 6.476 0.934 8.821 1.00 0.00 C ATOM 1947 CG GLN A 124 7.380 2.128 9.079 1.00 0.00 C ATOM 1948 CD GLN A 124 8.287 1.924 10.275 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.896 1.311 11.269 1.00 0.00 O ATOM 1950 NE2 GLN A 124 9.508 2.440 10.188 1.00 0.00 N ATOM 0 H GLN A 124 5.684 -0.965 10.170 1.00 0.00 H new ATOM 0 HA GLN A 124 5.189 1.818 10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.011 0.021 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.254 0.880 7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.988 2.316 8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.767 3.015 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.791 2.941 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.162 2.335 10.963 1.00 0.00 H new ATOM 1959 N LEU A 125 3.962 0.404 7.573 1.00 0.00 N ATOM 1960 CA LEU A 125 2.906 0.520 6.570 1.00 0.00 C ATOM 1961 C LEU A 125 1.527 0.440 7.207 1.00 0.00 C ATOM 1962 O LEU A 125 0.573 1.038 6.711 1.00 0.00 O ATOM 1963 CB LEU A 125 3.055 -0.568 5.498 1.00 0.00 C ATOM 1964 CG LEU A 125 2.541 -1.960 5.883 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.068 -2.108 5.537 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.356 -3.035 5.181 1.00 0.00 C ATOM 0 H LEU A 125 4.648 -0.326 7.381 1.00 0.00 H new ATOM 0 HA LEU A 125 3.007 1.497 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.528 -0.242 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.110 -0.651 5.236 1.00 0.00 H new ATOM 0 HG LEU A 125 2.653 -2.079 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.726 -3.104 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.490 -1.359 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.930 -1.968 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.981 -4.019 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.270 -2.910 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.402 -2.948 5.474 1.00 0.00 H new ATOM 1978 N ASP A 126 1.425 -0.305 8.299 1.00 0.00 N ATOM 1979 CA ASP A 126 0.150 -0.462 8.989 1.00 0.00 C ATOM 1980 C ASP A 126 -0.187 0.778 9.807 1.00 0.00 C ATOM 1981 O ASP A 126 -1.233 1.397 9.613 1.00 0.00 O ATOM 1982 CB ASP A 126 0.171 -1.692 9.897 1.00 0.00 C ATOM 1983 CG ASP A 126 0.786 -2.905 9.226 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.532 -3.109 8.021 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.522 -3.651 9.906 1.00 0.00 O ATOM 0 H ASP A 126 2.204 -0.808 8.725 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.620 -0.597 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.731 -1.460 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.848 -1.929 10.204 1.00 0.00 H new ATOM 1990 N THR A 127 0.706 1.137 10.721 1.00 0.00 N ATOM 1991 CA THR A 127 0.502 2.306 11.567 1.00 0.00 C ATOM 1992 C THR A 127 0.417 3.573 10.725 1.00 0.00 C ATOM 1993 O THR A 127 -0.246 4.537 11.105 1.00 0.00 O ATOM 1994 CB THR A 127 1.635 2.433 12.587 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.743 1.254 13.364 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.456 3.595 13.540 1.00 0.00 C ATOM 0 H THR A 127 1.577 0.636 10.895 1.00 0.00 H new ATOM 0 HA THR A 127 -0.440 2.178 12.100 1.00 0.00 H new ATOM 0 HB THR A 127 2.536 2.603 11.998 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.457 0.688 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.294 3.627 14.236 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.418 4.526 12.975 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.527 3.470 14.096 1.00 0.00 H new ATOM 2004 N TYR A 128 1.086 3.561 9.577 1.00 0.00 N ATOM 2005 CA TYR A 128 1.082 4.708 8.682 1.00 0.00 C ATOM 2006 C TYR A 128 -0.288 4.877 8.046 1.00 0.00 C ATOM 2007 O TYR A 128 -0.904 5.937 8.152 1.00 0.00 O ATOM 2008 CB TYR A 128 2.147 4.547 7.596 1.00 0.00 C ATOM 2009 CG TYR A 128 3.484 5.148 7.967 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.564 6.405 8.553 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.667 4.459 7.729 1.00 0.00 C ATOM 2012 CE1 TYR A 128 4.784 6.958 8.892 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.891 5.005 8.067 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.944 6.254 8.647 1.00 0.00 C ATOM 2015 OH TYR A 128 7.161 6.802 8.984 1.00 0.00 O ATOM 0 H TYR A 128 1.637 2.769 9.246 1.00 0.00 H new ATOM 0 HA TYR A 128 1.312 5.599 9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.281 3.486 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.791 5.013 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.658 6.959 8.747 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.629 3.481 7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.829 7.937 9.347 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.801 4.456 7.878 1.00 0.00 H new ATOM 0 HH TYR A 128 7.878 6.178 8.746 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.764 3.823 7.394 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.059 3.851 6.748 1.00 0.00 C ATOM 2027 C ILE A 129 -3.171 4.134 7.755 1.00 0.00 C ATOM 2028 O ILE A 129 -4.240 4.625 7.393 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.346 2.521 6.029 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.642 2.640 5.224 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.422 1.376 7.029 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.793 1.899 5.845 1.00 0.00 C ATOM 0 H ILE A 129 -0.266 2.938 7.302 1.00 0.00 H new ATOM 0 HA ILE A 129 -2.036 4.655 6.012 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.529 2.303 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.906 3.693 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.473 2.259 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.626 0.445 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.473 1.293 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.222 1.570 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.682 2.023 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.547 0.840 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.986 2.296 6.841 1.00 0.00 H new ATOM 2044 N SER A 130 -2.913 3.811 9.018 1.00 0.00 N ATOM 2045 CA SER A 130 -3.891 4.021 10.077 1.00 0.00 C ATOM 2046 C SER A 130 -4.031 5.502 10.422 1.00 0.00 C ATOM 2047 O SER A 130 -5.141 6.024 10.511 1.00 0.00 O ATOM 2048 CB SER A 130 -3.493 3.225 11.321 1.00 0.00 C ATOM 2049 OG SER A 130 -4.137 3.726 12.480 1.00 0.00 O ATOM 0 H SER A 130 -2.033 3.402 9.333 1.00 0.00 H new ATOM 0 HA SER A 130 -4.858 3.670 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.753 2.176 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.412 3.271 11.454 1.00 0.00 H new ATOM 0 HG SER A 130 -3.865 3.198 13.259 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.900 6.171 10.621 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.907 7.591 10.963 1.00 0.00 C ATOM 2057 C LYS A 131 -3.046 8.461 9.714 1.00 0.00 C ATOM 2058 O LYS A 131 -3.501 9.601 9.789 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.635 7.959 11.749 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.490 8.514 10.903 1.00 0.00 C ATOM 2061 CD LYS A 131 0.700 7.571 10.879 1.00 0.00 C ATOM 2062 CE LYS A 131 1.849 8.102 11.720 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.677 9.087 10.972 1.00 0.00 N ATOM 0 H LYS A 131 -1.971 5.756 10.552 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.773 7.783 11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.896 8.696 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.281 7.072 12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.840 8.684 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.180 9.481 11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.397 6.592 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.034 7.432 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.453 8.571 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.477 7.271 12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.294 9.597 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.261 8.588 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.056 9.765 10.486 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.640 7.919 8.570 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.712 8.649 7.309 1.00 0.00 C ATOM 2079 C TYR A 132 -4.156 8.887 6.872 1.00 0.00 C ATOM 2080 O TYR A 132 -4.411 9.666 5.955 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.930 7.925 6.216 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.561 8.524 5.997 1.00 0.00 C ATOM 2083 CD1 TYR A 132 -0.424 9.821 5.518 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.592 7.806 6.283 1.00 0.00 C ATOM 2085 CE1 TYR A 132 0.823 10.384 5.328 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.843 8.363 6.099 1.00 0.00 C ATOM 2087 CZ TYR A 132 1.953 9.651 5.620 1.00 0.00 C ATOM 2088 OH TYR A 132 3.197 10.208 5.433 1.00 0.00 O ATOM 0 H TYR A 132 -2.258 6.977 8.490 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.255 9.625 7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.825 6.873 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.494 7.962 5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.308 10.399 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.510 6.796 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.912 11.393 4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.730 7.792 6.329 1.00 0.00 H new ATOM 0 HH TYR A 132 3.419 10.200 4.478 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.099 8.214 7.532 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.525 8.355 7.216 1.00 0.00 C ATOM 2100 C GLN A 133 -6.948 9.824 7.064 1.00 0.00 C ATOM 2101 O GLN A 133 -8.041 10.106 6.571 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.369 7.688 8.305 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.801 6.272 7.963 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.162 6.225 7.296 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.299 6.541 6.115 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.180 5.832 8.054 1.00 0.00 N ATOM 0 H GLN A 133 -4.902 7.563 8.292 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.693 7.864 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.799 7.670 9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.256 8.295 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.061 5.819 7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.825 5.673 8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.022 5.579 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.120 5.783 7.661 1.00 0.00 H new