USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 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 Single : A 462 SER OG : rot 27:sc= 0.153 USER MOD Single : A 466 SER OG : rot 77:sc= 1.1 USER MOD Single : A 469 LYS NZ :NH3+ 177:sc= 0.345 (180deg=0.312) USER MOD Single : A 470 SER OG : rot 130:sc= 0.948 USER MOD Single : A 471 SER OG : rot 26:sc= -0.149 USER MOD Single : A 478 LYS NZ :NH3+ -142:sc= -1.09! (180deg=-6.15!) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 161:sc= -0.0703 (180deg=-0.482) USER MOD Single : A 483 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 496 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0587) USER MOD Single : A 498 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.87) USER MOD Single : A 499 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ -157:sc= -0.16 (180deg=-0.853) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.689 0.002 7.323 1.00 1.77 N ATOM 2 CA SER A 462 -4.554 0.371 8.162 1.00 1.60 C ATOM 3 C SER A 462 -3.379 -0.590 7.991 1.00 1.25 C ATOM 4 O SER A 462 -2.230 -0.207 8.196 1.00 1.09 O ATOM 5 CB SER A 462 -4.999 0.414 9.625 1.00 1.97 C ATOM 6 OG SER A 462 -6.131 1.259 9.780 1.00 2.70 O ATOM 0 HA SER A 462 -4.208 1.357 7.851 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.241 -0.592 9.967 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.181 0.775 10.249 1.00 1.97 H new ATOM 0 HG SER A 462 -6.636 1.287 8.941 1.00 2.70 H new ATOM 14 N VAL A 463 -3.666 -1.831 7.611 1.00 1.25 N ATOM 15 CA VAL A 463 -2.620 -2.820 7.369 1.00 1.07 C ATOM 16 C VAL A 463 -1.652 -2.337 6.285 1.00 0.89 C ATOM 17 O VAL A 463 -0.469 -2.099 6.545 1.00 0.76 O ATOM 18 CB VAL A 463 -3.215 -4.182 6.952 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.119 -5.220 6.773 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.230 -4.657 7.976 1.00 1.50 C ATOM 0 H VAL A 463 -4.614 -2.176 7.464 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.078 -2.948 8.306 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.721 -4.051 5.996 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.563 -6.171 6.479 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.427 -4.888 5.999 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.580 -5.346 7.712 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.638 -5.618 7.665 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.745 -4.766 8.946 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.037 -3.928 8.054 1.00 1.50 H new ATOM 30 N ILE A 464 -2.165 -2.168 5.075 1.00 1.02 N ATOM 31 CA ILE A 464 -1.338 -1.742 3.953 1.00 1.02 C ATOM 32 C ILE A 464 -0.869 -0.296 4.139 1.00 0.88 C ATOM 33 O ILE A 464 0.215 0.078 3.686 1.00 0.84 O ATOM 34 CB ILE A 464 -2.081 -1.910 2.601 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.195 -1.479 1.427 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.391 -1.136 2.594 1.00 1.96 C ATOM 37 CD1 ILE A 464 0.075 -2.290 1.289 1.00 2.72 C ATOM 0 H ILE A 464 -3.147 -2.319 4.844 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.460 -2.387 3.929 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.312 -2.969 2.482 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.768 -1.559 0.503 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -0.932 -0.428 1.549 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -3.889 -1.273 1.634 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.035 -1.504 3.393 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -3.188 -0.076 2.750 1.00 1.96 H new ATOM 0 HD11 ILE A 464 0.649 -1.926 0.437 1.00 2.72 H new ATOM 0 HD12 ILE A 464 0.671 -2.191 2.196 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -0.178 -3.339 1.134 1.00 2.72 H new ATOM 49 N ARG A 465 -1.671 0.502 4.842 1.00 0.94 N ATOM 50 CA ARG A 465 -1.303 1.883 5.135 1.00 0.95 C ATOM 51 C ARG A 465 -0.074 1.932 6.044 1.00 0.83 C ATOM 52 O ARG A 465 0.737 2.857 5.967 1.00 0.90 O ATOM 53 CB ARG A 465 -2.472 2.624 5.785 1.00 1.18 C ATOM 54 CG ARG A 465 -2.214 4.109 5.971 1.00 1.57 C ATOM 55 CD ARG A 465 -3.404 4.819 6.594 1.00 1.81 C ATOM 56 NE ARG A 465 -3.620 4.429 7.986 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.504 5.017 8.790 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.244 6.026 8.344 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.633 4.609 10.046 1.00 3.37 N ATOM 0 H ARG A 465 -2.575 0.216 5.217 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.058 2.377 4.195 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.363 2.491 5.172 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.683 2.175 6.755 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.337 4.248 6.603 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -1.986 4.561 5.006 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.249 5.897 6.541 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.300 4.597 6.014 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.062 3.663 8.363 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.136 6.352 7.384 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -5.920 6.475 8.962 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -4.055 3.845 10.396 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -5.310 5.060 10.662 1.00 3.37 H new ATOM 73 N SER A 466 0.060 0.940 6.913 1.00 0.80 N ATOM 74 CA SER A 466 1.242 0.830 7.750 1.00 0.87 C ATOM 75 C SER A 466 2.404 0.241 6.956 1.00 0.85 C ATOM 76 O SER A 466 3.552 0.622 7.158 1.00 1.03 O ATOM 77 CB SER A 466 0.951 -0.017 8.989 1.00 0.96 C ATOM 78 OG SER A 466 -0.084 0.568 9.765 1.00 1.63 O ATOM 0 H SER A 466 -0.632 0.204 7.055 1.00 0.80 H new ATOM 0 HA SER A 466 1.522 1.830 8.081 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.662 -1.024 8.688 1.00 0.96 H new ATOM 0 HB3 SER A 466 1.855 -0.112 9.591 1.00 0.96 H new ATOM 0 HG SER A 466 -0.950 0.389 9.343 1.00 1.63 H new ATOM 84 N ILE A 467 2.103 -0.675 6.037 1.00 0.78 N ATOM 85 CA ILE A 467 3.136 -1.271 5.191 1.00 0.91 C ATOM 86 C ILE A 467 3.811 -0.212 4.313 1.00 0.96 C ATOM 87 O ILE A 467 5.051 -0.175 4.187 1.00 1.18 O ATOM 88 CB ILE A 467 2.575 -2.414 4.305 1.00 1.02 C ATOM 89 CG1 ILE A 467 2.054 -3.555 5.187 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.636 -2.930 3.337 1.00 1.24 C ATOM 91 CD1 ILE A 467 3.099 -4.131 6.120 1.00 1.59 C ATOM 0 H ILE A 467 1.159 -1.019 5.860 1.00 0.78 H new ATOM 0 HA ILE A 467 3.880 -1.700 5.862 1.00 0.91 H new ATOM 0 HB ILE A 467 1.749 -2.016 3.715 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.214 -3.191 5.778 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.673 -4.351 4.548 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.215 -3.731 2.729 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.964 -2.117 2.690 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.488 -3.312 3.900 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.657 -4.933 6.711 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.930 -4.527 5.536 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.464 -3.348 6.785 1.00 1.59 H new ATOM 103 N ILE A 468 3.030 0.678 3.708 1.00 0.87 N ATOM 104 CA ILE A 468 3.643 1.704 2.894 1.00 0.99 C ATOM 105 C ILE A 468 4.500 2.622 3.763 1.00 1.08 C ATOM 106 O ILE A 468 5.601 2.994 3.364 1.00 1.27 O ATOM 107 CB ILE A 468 2.652 2.486 1.967 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.583 3.314 2.693 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.961 1.514 1.028 1.00 1.34 C ATOM 110 CD1 ILE A 468 2.086 4.596 3.321 1.00 1.65 C ATOM 0 H ILE A 468 2.012 0.707 3.765 1.00 0.87 H new ATOM 0 HA ILE A 468 4.293 1.191 2.185 1.00 0.99 H new ATOM 0 HB ILE A 468 3.273 3.205 1.433 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.792 3.560 1.985 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.134 2.697 3.471 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.271 2.059 0.383 1.00 1.34 H new ATOM 0 HG22 ILE A 468 2.707 1.007 0.416 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.408 0.777 1.610 1.00 1.34 H new ATOM 0 HD11 ILE A 468 1.259 5.111 3.810 1.00 1.65 H new ATOM 0 HD12 ILE A 468 2.855 4.363 4.058 1.00 1.65 H new ATOM 0 HD13 ILE A 468 2.507 5.239 2.548 1.00 1.65 H new ATOM 122 N LYS A 469 4.047 2.894 4.988 1.00 1.04 N ATOM 123 CA LYS A 469 4.836 3.692 5.926 1.00 1.27 C ATOM 124 C LYS A 469 6.059 2.910 6.411 1.00 1.47 C ATOM 125 O LYS A 469 7.056 3.503 6.823 1.00 1.68 O ATOM 126 CB LYS A 469 4.001 4.151 7.125 1.00 1.35 C ATOM 127 CG LYS A 469 2.903 5.141 6.769 1.00 1.75 C ATOM 128 CD LYS A 469 2.425 5.913 7.990 1.00 1.96 C ATOM 129 CE LYS A 469 1.892 4.991 9.075 1.00 2.66 C ATOM 130 NZ LYS A 469 0.608 4.346 8.692 1.00 2.97 N ATOM 0 H LYS A 469 3.148 2.577 5.350 1.00 1.04 H new ATOM 0 HA LYS A 469 5.171 4.579 5.389 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.550 3.278 7.597 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.662 4.606 7.863 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.272 5.840 6.018 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.063 4.608 6.323 1.00 1.75 H new ATOM 0 HD2 LYS A 469 3.248 6.505 8.390 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.644 6.613 7.693 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.633 4.220 9.289 1.00 2.66 H new ATOM 0 HE3 LYS A 469 1.750 5.560 9.994 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.312 3.689 9.442 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 -0.122 5.075 8.563 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 0.735 3.822 7.803 1.00 2.97 H new ATOM 144 N SER A 470 5.968 1.581 6.371 1.00 1.46 N ATOM 145 CA SER A 470 7.116 0.723 6.646 1.00 1.71 C ATOM 146 C SER A 470 8.163 0.926 5.552 1.00 1.82 C ATOM 147 O SER A 470 9.350 0.666 5.748 1.00 2.10 O ATOM 148 CB SER A 470 6.686 -0.750 6.720 1.00 1.74 C ATOM 149 OG SER A 470 7.758 -1.591 7.117 1.00 2.10 O ATOM 0 H SER A 470 5.109 1.076 6.150 1.00 1.46 H new ATOM 0 HA SER A 470 7.546 0.991 7.611 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.862 -0.853 7.426 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.314 -1.070 5.747 1.00 1.74 H new ATOM 0 HG SER A 470 7.465 -2.169 7.852 1.00 2.10 H new ATOM 155 N SER A 471 7.688 1.379 4.389 1.00 1.68 N ATOM 156 CA SER A 471 8.568 1.882 3.335 1.00 1.90 C ATOM 157 C SER A 471 9.422 0.776 2.711 1.00 1.57 C ATOM 158 O SER A 471 8.887 -0.160 2.106 1.00 1.83 O ATOM 159 CB SER A 471 9.443 3.025 3.883 1.00 2.65 C ATOM 160 OG SER A 471 10.255 3.594 2.872 1.00 3.40 O ATOM 0 H SER A 471 6.696 1.407 4.155 1.00 1.68 H new ATOM 0 HA SER A 471 7.940 2.271 2.534 1.00 1.90 H new ATOM 0 HB2 SER A 471 8.805 3.796 4.315 1.00 2.65 H new ATOM 0 HB3 SER A 471 10.074 2.647 4.687 1.00 2.65 H new ATOM 0 HG SER A 471 9.835 3.455 1.998 1.00 3.40 H new ATOM 166 N ARG A 472 10.736 0.922 2.847 1.00 1.77 N ATOM 167 CA ARG A 472 11.724 0.037 2.227 1.00 1.99 C ATOM 168 C ARG A 472 11.785 0.268 0.719 1.00 1.90 C ATOM 169 O ARG A 472 12.179 -0.609 -0.054 1.00 2.38 O ATOM 170 CB ARG A 472 11.468 -1.430 2.573 1.00 2.75 C ATOM 171 CG ARG A 472 12.217 -1.865 3.821 1.00 3.26 C ATOM 172 CD ARG A 472 11.786 -3.238 4.301 1.00 3.92 C ATOM 173 NE ARG A 472 10.562 -3.182 5.094 1.00 4.22 N ATOM 174 CZ ARG A 472 10.053 -4.225 5.747 1.00 4.90 C ATOM 175 NH1 ARG A 472 10.601 -5.430 5.615 1.00 5.31 N ATOM 176 NH2 ARG A 472 8.986 -4.062 6.519 1.00 5.50 N ATOM 0 H ARG A 472 11.154 1.670 3.400 1.00 1.77 H new ATOM 0 HA ARG A 472 12.702 0.285 2.639 1.00 1.99 H new ATOM 0 HB2 ARG A 472 10.399 -1.586 2.720 1.00 2.75 H new ATOM 0 HB3 ARG A 472 11.769 -2.057 1.734 1.00 2.75 H new ATOM 0 HG2 ARG A 472 13.287 -1.874 3.615 1.00 3.26 H new ATOM 0 HG3 ARG A 472 12.051 -1.136 4.614 1.00 3.26 H new ATOM 0 HD2 ARG A 472 11.631 -3.890 3.441 1.00 3.92 H new ATOM 0 HD3 ARG A 472 12.584 -3.680 4.897 1.00 3.92 H new ATOM 0 HE ARG A 472 10.067 -2.292 5.151 1.00 4.22 H new ATOM 0 HH11 ARG A 472 11.414 -5.557 5.012 1.00 5.31 H new ATOM 0 HH12 ARG A 472 10.208 -6.227 6.117 1.00 5.31 H new ATOM 0 HH21 ARG A 472 8.559 -3.140 6.611 1.00 5.50 H new ATOM 0 HH22 ARG A 472 8.593 -4.858 7.021 1.00 5.50 H new ATOM 190 N LEU A 473 11.366 1.470 0.333 1.00 1.57 N ATOM 191 CA LEU A 473 11.505 1.998 -1.015 1.00 1.68 C ATOM 192 C LEU A 473 10.970 3.423 -1.018 1.00 1.46 C ATOM 193 O LEU A 473 10.791 4.002 0.053 1.00 2.00 O ATOM 194 CB LEU A 473 10.780 1.138 -2.056 1.00 2.11 C ATOM 195 CG LEU A 473 9.265 1.010 -1.900 1.00 1.80 C ATOM 196 CD1 LEU A 473 8.575 1.207 -3.242 1.00 2.32 C ATOM 197 CD2 LEU A 473 8.922 -0.355 -1.332 1.00 2.17 C ATOM 0 H LEU A 473 10.907 2.120 0.971 1.00 1.57 H new ATOM 0 HA LEU A 473 12.558 1.984 -1.296 1.00 1.68 H new ATOM 0 HB2 LEU A 473 10.988 1.550 -3.043 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.211 0.137 -2.032 1.00 2.11 H new ATOM 0 HG LEU A 473 8.914 1.782 -1.214 1.00 1.80 H new ATOM 0 HD11 LEU A 473 7.497 1.113 -3.114 1.00 2.32 H new ATOM 0 HD12 LEU A 473 8.809 2.199 -3.629 1.00 2.32 H new ATOM 0 HD13 LEU A 473 8.924 0.451 -3.945 1.00 2.32 H new ATOM 0 HD21 LEU A 473 7.841 -0.442 -1.222 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.282 -1.131 -2.007 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.396 -0.473 -0.358 1.00 2.17 H new ATOM 209 N GLU A 474 10.704 3.989 -2.189 1.00 1.28 N ATOM 210 CA GLU A 474 10.231 5.371 -2.266 1.00 1.36 C ATOM 211 C GLU A 474 8.964 5.589 -1.464 1.00 1.06 C ATOM 212 O GLU A 474 7.909 5.000 -1.744 1.00 1.14 O ATOM 213 CB GLU A 474 9.955 5.798 -3.699 1.00 1.92 C ATOM 214 CG GLU A 474 11.201 6.119 -4.508 1.00 2.48 C ATOM 215 CD GLU A 474 12.152 4.949 -4.596 1.00 3.00 C ATOM 216 OE1 GLU A 474 11.776 3.912 -5.175 1.00 3.36 O ATOM 217 OE2 GLU A 474 13.292 5.075 -4.111 1.00 3.47 O ATOM 0 H GLU A 474 10.805 3.521 -3.090 1.00 1.28 H new ATOM 0 HA GLU A 474 11.037 5.974 -1.848 1.00 1.36 H new ATOM 0 HB2 GLU A 474 9.404 5.004 -4.203 1.00 1.92 H new ATOM 0 HB3 GLU A 474 9.309 6.676 -3.686 1.00 1.92 H new ATOM 0 HG2 GLU A 474 10.909 6.422 -5.514 1.00 2.48 H new ATOM 0 HG3 GLU A 474 11.715 6.967 -4.056 1.00 2.48 H new ATOM 224 N GLU A 475 9.063 6.470 -0.486 1.00 0.94 N ATOM 225 CA GLU A 475 7.908 6.875 0.270 1.00 0.84 C ATOM 226 C GLU A 475 6.940 7.620 -0.638 1.00 0.73 C ATOM 227 O GLU A 475 5.743 7.644 -0.381 1.00 0.73 O ATOM 228 CB GLU A 475 8.300 7.741 1.463 1.00 1.20 C ATOM 229 CG GLU A 475 7.120 8.024 2.363 1.00 1.66 C ATOM 230 CD GLU A 475 7.432 9.008 3.471 1.00 2.13 C ATOM 231 OE1 GLU A 475 8.284 8.694 4.330 1.00 2.79 O ATOM 232 OE2 GLU A 475 6.823 10.100 3.494 1.00 2.49 O ATOM 0 H GLU A 475 9.935 6.915 -0.201 1.00 0.94 H new ATOM 0 HA GLU A 475 7.420 5.982 0.661 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.081 7.240 2.035 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.719 8.682 1.107 1.00 1.20 H new ATOM 0 HG2 GLU A 475 6.299 8.414 1.761 1.00 1.66 H new ATOM 0 HG3 GLU A 475 6.776 7.088 2.804 1.00 1.66 H new ATOM 239 N ASP A 476 7.461 8.210 -1.718 1.00 0.88 N ATOM 240 CA ASP A 476 6.610 8.847 -2.720 1.00 0.98 C ATOM 241 C ASP A 476 5.592 7.861 -3.241 1.00 0.85 C ATOM 242 O ASP A 476 4.421 8.181 -3.369 1.00 0.84 O ATOM 243 CB ASP A 476 7.398 9.350 -3.926 1.00 1.36 C ATOM 244 CG ASP A 476 8.533 10.282 -3.570 1.00 2.00 C ATOM 245 OD1 ASP A 476 9.641 9.796 -3.272 1.00 2.43 O ATOM 246 OD2 ASP A 476 8.309 11.509 -3.572 1.00 2.63 O ATOM 0 H ASP A 476 8.460 8.258 -1.918 1.00 0.88 H new ATOM 0 HA ASP A 476 6.137 9.692 -2.220 1.00 0.98 H new ATOM 0 HB2 ASP A 476 7.800 8.494 -4.468 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.717 9.865 -4.604 1.00 1.36 H new ATOM 251 N ARG A 477 6.054 6.652 -3.539 1.00 0.89 N ATOM 252 CA ARG A 477 5.191 5.629 -4.104 1.00 0.96 C ATOM 253 C ARG A 477 4.273 5.062 -3.041 1.00 0.80 C ATOM 254 O ARG A 477 3.183 4.593 -3.342 1.00 0.85 O ATOM 255 CB ARG A 477 6.011 4.512 -4.745 1.00 1.23 C ATOM 256 CG ARG A 477 5.988 4.549 -6.263 1.00 1.57 C ATOM 257 CD ARG A 477 7.358 4.866 -6.851 1.00 1.89 C ATOM 258 NE ARG A 477 7.903 6.132 -6.361 1.00 1.95 N ATOM 259 CZ ARG A 477 8.616 6.978 -7.109 1.00 2.54 C ATOM 260 NH1 ARG A 477 8.769 6.754 -8.407 1.00 2.96 N ATOM 261 NH2 ARG A 477 9.156 8.065 -6.569 1.00 2.98 N ATOM 0 H ARG A 477 7.021 6.359 -3.398 1.00 0.89 H new ATOM 0 HA ARG A 477 4.583 6.094 -4.880 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.043 4.585 -4.402 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.629 3.549 -4.406 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.645 3.587 -6.643 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.269 5.298 -6.596 1.00 1.57 H new ATOM 0 HD2 ARG A 477 8.049 4.059 -6.607 1.00 1.89 H new ATOM 0 HD3 ARG A 477 7.283 4.904 -7.938 1.00 1.89 H new ATOM 0 HE ARG A 477 7.728 6.384 -5.388 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.342 5.934 -8.837 1.00 2.96 H new ATOM 0 HH12 ARG A 477 9.314 7.402 -8.976 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.028 8.259 -5.576 1.00 2.98 H new ATOM 0 HH22 ARG A 477 9.699 8.706 -7.148 1.00 2.98 H new ATOM 275 N LYS A 478 4.717 5.105 -1.797 1.00 0.77 N ATOM 276 CA LYS A 478 3.895 4.669 -0.693 1.00 0.90 C ATOM 277 C LYS A 478 2.791 5.685 -0.423 1.00 0.74 C ATOM 278 O LYS A 478 1.648 5.320 -0.164 1.00 0.80 O ATOM 279 CB LYS A 478 4.765 4.459 0.543 1.00 1.21 C ATOM 280 CG LYS A 478 5.820 3.378 0.355 1.00 1.27 C ATOM 281 CD LYS A 478 5.209 2.095 -0.192 1.00 1.66 C ATOM 282 CE LYS A 478 6.144 0.913 -0.026 1.00 1.97 C ATOM 283 NZ LYS A 478 6.345 0.557 1.406 1.00 2.30 N ATOM 0 H LYS A 478 5.643 5.438 -1.531 1.00 0.77 H new ATOM 0 HA LYS A 478 3.421 3.721 -0.947 1.00 0.90 H new ATOM 0 HB2 LYS A 478 5.257 5.398 0.797 1.00 1.21 H new ATOM 0 HB3 LYS A 478 4.128 4.194 1.387 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.592 3.735 -0.327 1.00 1.27 H new ATOM 0 HG3 LYS A 478 6.307 3.173 1.308 1.00 1.27 H new ATOM 0 HD2 LYS A 478 4.270 1.891 0.322 1.00 1.66 H new ATOM 0 HD3 LYS A 478 4.972 2.226 -1.248 1.00 1.66 H new ATOM 0 HE2 LYS A 478 5.740 0.053 -0.560 1.00 1.97 H new ATOM 0 HE3 LYS A 478 7.107 1.146 -0.480 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.335 0.276 1.558 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.123 1.379 2.003 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 5.718 -0.233 1.659 1.00 2.30 H new ATOM 297 N ARG A 479 3.145 6.958 -0.505 1.00 0.71 N ATOM 298 CA ARG A 479 2.175 8.036 -0.393 1.00 0.86 C ATOM 299 C ARG A 479 1.267 8.038 -1.616 1.00 0.80 C ATOM 300 O ARG A 479 0.066 8.274 -1.513 1.00 0.90 O ATOM 301 CB ARG A 479 2.882 9.389 -0.268 1.00 1.09 C ATOM 302 CG ARG A 479 3.649 9.578 1.033 1.00 1.22 C ATOM 303 CD ARG A 479 2.722 9.584 2.238 1.00 1.88 C ATOM 304 NE ARG A 479 1.657 10.584 2.111 1.00 2.47 N ATOM 305 CZ ARG A 479 1.120 11.240 3.139 1.00 3.27 C ATOM 306 NH1 ARG A 479 1.632 11.102 4.355 1.00 3.65 N ATOM 307 NH2 ARG A 479 0.092 12.057 2.944 1.00 4.14 N ATOM 0 H ARG A 479 4.105 7.271 -0.650 1.00 0.71 H new ATOM 0 HA ARG A 479 1.577 7.875 0.504 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.573 9.503 -1.103 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.140 10.183 -0.357 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.382 8.779 1.142 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.203 10.516 0.996 1.00 1.22 H new ATOM 0 HD2 ARG A 479 2.278 8.596 2.358 1.00 1.88 H new ATOM 0 HD3 ARG A 479 3.301 9.785 3.139 1.00 1.88 H new ATOM 0 HE ARG A 479 1.305 10.791 1.176 1.00 2.47 H new ATOM 0 HH11 ARG A 479 2.437 10.494 4.503 1.00 3.65 H new ATOM 0 HH12 ARG A 479 1.221 11.604 5.142 1.00 3.65 H new ATOM 0 HH21 ARG A 479 -0.288 12.183 2.006 1.00 4.14 H new ATOM 0 HH22 ARG A 479 -0.318 12.558 3.732 1.00 4.14 H new ATOM 321 N TYR A 480 1.865 7.767 -2.772 1.00 0.83 N ATOM 322 CA TYR A 480 1.130 7.624 -4.017 1.00 1.03 C ATOM 323 C TYR A 480 0.093 6.512 -3.882 1.00 0.82 C ATOM 324 O TYR A 480 -1.105 6.715 -4.108 1.00 0.82 O ATOM 325 CB TYR A 480 2.107 7.311 -5.158 1.00 1.44 C ATOM 326 CG TYR A 480 1.456 6.901 -6.460 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.817 7.831 -7.270 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.496 5.579 -6.885 1.00 2.00 C ATOM 329 CE1 TYR A 480 0.231 7.453 -8.464 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.915 5.193 -8.076 1.00 2.36 C ATOM 331 CZ TYR A 480 0.284 6.132 -8.863 1.00 2.55 C ATOM 332 OH TYR A 480 -0.297 5.744 -10.050 1.00 2.93 O ATOM 0 H TYR A 480 2.873 7.641 -2.868 1.00 0.83 H new ATOM 0 HA TYR A 480 0.612 8.556 -4.243 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.725 8.190 -5.339 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.775 6.513 -4.836 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.777 8.866 -6.962 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.991 4.840 -6.272 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -0.266 8.187 -9.081 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.955 4.160 -8.390 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.167 4.781 -10.179 1.00 2.93 H new ATOM 342 N LEU A 481 0.569 5.342 -3.472 1.00 0.91 N ATOM 343 CA LEU A 481 -0.285 4.178 -3.316 1.00 1.15 C ATOM 344 C LEU A 481 -1.359 4.420 -2.271 1.00 1.03 C ATOM 345 O LEU A 481 -2.480 3.991 -2.451 1.00 1.19 O ATOM 346 CB LEU A 481 0.535 2.940 -2.937 1.00 1.66 C ATOM 347 CG LEU A 481 -0.261 1.632 -2.857 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.823 1.260 -4.221 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.606 0.507 -2.313 1.00 2.73 C ATOM 0 H LEU A 481 1.549 5.177 -3.241 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.767 4.000 -4.277 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.335 2.816 -3.667 1.00 1.66 H new ATOM 0 HB3 LEU A 481 1.009 3.119 -1.972 1.00 1.66 H new ATOM 0 HG LEU A 481 -1.095 1.784 -2.172 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -1.384 0.329 -4.142 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.484 2.053 -4.571 1.00 2.68 H new ATOM 0 HD13 LEU A 481 -0.004 1.131 -4.929 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.022 -0.412 -2.265 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.463 0.358 -2.970 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.956 0.768 -1.314 1.00 2.73 H new ATOM 361 N MET A 482 -1.021 5.114 -1.187 1.00 1.05 N ATOM 362 CA MET A 482 -1.993 5.400 -0.132 1.00 1.49 C ATOM 363 C MET A 482 -3.039 6.385 -0.625 1.00 1.39 C ATOM 364 O MET A 482 -4.206 6.296 -0.248 1.00 1.65 O ATOM 365 CB MET A 482 -1.300 5.949 1.119 1.00 2.05 C ATOM 366 CG MET A 482 -2.224 6.059 2.322 1.00 3.10 C ATOM 367 SD MET A 482 -1.403 6.750 3.773 1.00 4.00 S ATOM 368 CE MET A 482 -1.088 8.423 3.220 1.00 4.93 C ATOM 0 H MET A 482 -0.087 5.487 -1.015 1.00 1.05 H new ATOM 0 HA MET A 482 -2.487 4.465 0.132 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.460 5.303 1.373 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.888 6.933 0.895 1.00 2.05 H new ATOM 0 HG2 MET A 482 -3.079 6.683 2.062 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.614 5.071 2.567 1.00 3.10 H new ATOM 0 HE1 MET A 482 -0.903 9.063 4.083 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.215 8.432 2.568 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.954 8.794 2.672 1.00 4.93 H new ATOM 378 N THR A 483 -2.624 7.309 -1.478 1.00 1.25 N ATOM 379 CA THR A 483 -3.557 8.221 -2.116 1.00 1.59 C ATOM 380 C THR A 483 -4.534 7.426 -2.980 1.00 1.32 C ATOM 381 O THR A 483 -5.710 7.775 -3.111 1.00 1.59 O ATOM 382 CB THR A 483 -2.819 9.273 -2.973 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.892 10.006 -2.158 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.798 10.242 -3.618 1.00 2.46 C ATOM 0 H THR A 483 -1.649 7.446 -1.743 1.00 1.25 H new ATOM 0 HA THR A 483 -4.105 8.754 -1.339 1.00 1.59 H new ATOM 0 HB THR A 483 -2.282 8.746 -3.762 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.131 9.432 -1.932 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.249 10.970 -4.215 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.485 9.691 -4.260 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.362 10.760 -2.842 1.00 2.46 H new ATOM 392 N LEU A 484 -4.029 6.345 -3.552 1.00 0.92 N ATOM 393 CA LEU A 484 -4.861 5.417 -4.304 1.00 0.90 C ATOM 394 C LEU A 484 -5.669 4.517 -3.365 1.00 0.84 C ATOM 395 O LEU A 484 -6.844 4.266 -3.612 1.00 0.91 O ATOM 396 CB LEU A 484 -4.000 4.557 -5.233 1.00 1.15 C ATOM 397 CG LEU A 484 -3.225 5.323 -6.306 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.401 4.363 -7.149 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.173 6.129 -7.185 1.00 2.20 C ATOM 0 H LEU A 484 -3.043 6.087 -3.510 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.556 6.004 -4.904 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.289 3.997 -4.626 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.644 3.828 -5.725 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.548 6.019 -5.810 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.855 4.922 -7.908 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.694 3.833 -6.511 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.062 3.644 -7.633 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.600 6.666 -7.941 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.877 5.456 -7.674 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.721 6.843 -6.570 1.00 2.20 H new ATOM 411 N LEU A 485 -5.038 4.049 -2.282 1.00 1.02 N ATOM 412 CA LEU A 485 -5.687 3.150 -1.328 1.00 1.47 C ATOM 413 C LEU A 485 -6.897 3.823 -0.711 1.00 1.75 C ATOM 414 O LEU A 485 -7.942 3.203 -0.522 1.00 1.92 O ATOM 415 CB LEU A 485 -4.714 2.726 -0.225 1.00 1.90 C ATOM 416 CG LEU A 485 -3.527 1.877 -0.689 1.00 2.48 C ATOM 417 CD1 LEU A 485 -2.531 1.701 0.444 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.998 0.523 -1.200 1.00 3.10 C ATOM 0 H LEU A 485 -4.073 4.281 -2.046 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.007 2.260 -1.869 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -4.330 3.622 0.262 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -5.267 2.166 0.529 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.033 2.396 -1.510 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -1.692 1.096 0.100 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -2.167 2.677 0.763 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -3.018 1.203 1.283 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.138 -0.063 -1.524 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.518 -0.007 -0.401 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -4.676 0.667 -2.041 1.00 3.10 H new ATOM 430 N ASP A 486 -6.738 5.101 -0.410 1.00 1.95 N ATOM 431 CA ASP A 486 -7.823 5.929 0.110 1.00 2.47 C ATOM 432 C ASP A 486 -9.043 5.907 -0.821 1.00 2.33 C ATOM 433 O ASP A 486 -10.174 6.165 -0.394 1.00 2.75 O ATOM 434 CB ASP A 486 -7.312 7.361 0.293 1.00 2.90 C ATOM 435 CG ASP A 486 -8.363 8.315 0.817 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.739 8.202 2.005 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.800 9.196 0.051 1.00 3.86 O ATOM 0 H ASP A 486 -5.854 5.598 -0.518 1.00 1.95 H new ATOM 0 HA ASP A 486 -8.144 5.526 1.071 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.466 7.351 0.981 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.941 7.731 -0.663 1.00 2.90 H new ATOM 442 N ASP A 487 -8.810 5.573 -2.086 1.00 1.85 N ATOM 443 CA ASP A 487 -9.879 5.497 -3.080 1.00 1.83 C ATOM 444 C ASP A 487 -10.147 4.039 -3.497 1.00 1.35 C ATOM 445 O ASP A 487 -11.124 3.754 -4.190 1.00 1.40 O ATOM 446 CB ASP A 487 -9.500 6.341 -4.305 1.00 2.05 C ATOM 447 CG ASP A 487 -10.551 6.318 -5.402 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.537 7.078 -5.302 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.402 5.530 -6.363 1.00 2.59 O ATOM 0 H ASP A 487 -7.884 5.349 -2.451 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.794 5.890 -2.637 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.336 7.372 -3.990 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.555 5.977 -4.709 1.00 2.05 H new ATOM 454 N ILE A 488 -9.286 3.123 -3.058 1.00 1.14 N ATOM 455 CA ILE A 488 -9.405 1.706 -3.417 1.00 1.13 C ATOM 456 C ILE A 488 -10.759 1.143 -2.978 1.00 1.43 C ATOM 457 O ILE A 488 -11.301 1.530 -1.943 1.00 2.27 O ATOM 458 CB ILE A 488 -8.245 0.870 -2.810 1.00 1.34 C ATOM 459 CG1 ILE A 488 -6.934 1.170 -3.545 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.542 -0.623 -2.845 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.984 0.891 -5.031 1.00 1.67 C ATOM 0 H ILE A 488 -8.494 3.335 -2.451 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.338 1.635 -4.503 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.144 1.159 -1.764 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.674 2.217 -3.391 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.136 0.575 -3.101 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.705 -1.171 -2.411 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.446 -0.828 -2.272 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.687 -0.941 -3.877 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.019 1.128 -5.478 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.211 -0.162 -5.196 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -7.758 1.506 -5.491 1.00 1.67 H new ATOM 473 N LYS A 489 -11.298 0.232 -3.788 1.00 1.42 N ATOM 474 CA LYS A 489 -12.649 -0.286 -3.592 1.00 1.75 C ATOM 475 C LYS A 489 -12.761 -1.195 -2.369 1.00 1.29 C ATOM 476 O LYS A 489 -13.852 -1.657 -2.037 1.00 1.88 O ATOM 477 CB LYS A 489 -13.120 -1.025 -4.846 1.00 2.46 C ATOM 478 CG LYS A 489 -13.248 -0.120 -6.062 1.00 3.04 C ATOM 479 CD LYS A 489 -13.890 -0.841 -7.240 1.00 3.88 C ATOM 480 CE LYS A 489 -15.281 -1.343 -6.891 1.00 4.70 C ATOM 481 NZ LYS A 489 -15.979 -1.932 -8.064 1.00 5.28 N ATOM 0 H LYS A 489 -10.813 -0.165 -4.593 1.00 1.42 H new ATOM 0 HA LYS A 489 -13.295 0.573 -3.410 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -12.419 -1.829 -5.071 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -14.085 -1.491 -4.645 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.844 0.755 -5.803 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.261 0.241 -6.351 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -13.949 -0.166 -8.094 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -13.263 -1.681 -7.540 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -15.207 -2.091 -6.102 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.874 -0.518 -6.495 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -16.923 -2.260 -7.777 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -16.074 -1.212 -8.809 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -15.429 -2.736 -8.428 1.00 5.28 H new ATOM 495 N GLY A 490 -11.643 -1.464 -1.707 1.00 0.91 N ATOM 496 CA GLY A 490 -11.699 -2.156 -0.439 1.00 0.96 C ATOM 497 C GLY A 490 -11.024 -3.510 -0.435 1.00 0.67 C ATOM 498 O GLY A 490 -10.012 -3.713 -1.110 1.00 0.69 O ATOM 0 H GLY A 490 -10.706 -1.216 -2.024 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -11.235 -1.530 0.323 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.743 -2.284 -0.154 1.00 0.96 H new ATOM 502 N ALA A 491 -11.640 -4.427 0.315 1.00 0.70 N ATOM 503 CA ALA A 491 -11.070 -5.726 0.699 1.00 0.84 C ATOM 504 C ALA A 491 -10.138 -6.354 -0.335 1.00 0.71 C ATOM 505 O ALA A 491 -8.917 -6.246 -0.223 1.00 0.69 O ATOM 506 CB ALA A 491 -12.196 -6.695 1.026 1.00 1.22 C ATOM 0 H ALA A 491 -12.580 -4.284 0.685 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.446 -5.528 1.571 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.775 -7.659 1.311 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.788 -6.299 1.851 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.833 -6.822 0.150 1.00 1.22 H new ATOM 512 N ASN A 492 -10.719 -7.015 -1.329 1.00 0.73 N ATOM 513 CA ASN A 492 -9.959 -7.832 -2.280 1.00 0.78 C ATOM 514 C ASN A 492 -8.832 -7.060 -2.952 1.00 0.65 C ATOM 515 O ASN A 492 -7.712 -7.563 -3.076 1.00 0.67 O ATOM 516 CB ASN A 492 -10.883 -8.408 -3.357 1.00 1.00 C ATOM 517 CG ASN A 492 -11.746 -9.546 -2.849 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.138 -9.581 -1.685 1.00 2.38 O ATOM 519 ND2 ASN A 492 -12.050 -10.486 -3.729 1.00 2.19 N ATOM 0 H ASN A 492 -11.724 -7.003 -1.502 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.512 -8.639 -1.699 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.525 -7.615 -3.739 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.281 -8.761 -4.194 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -12.630 -11.277 -3.450 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -11.704 -10.419 -4.686 1.00 2.19 H new ATOM 526 N ASP A 493 -9.123 -5.836 -3.363 1.00 0.63 N ATOM 527 CA ASP A 493 -8.183 -5.061 -4.162 1.00 0.69 C ATOM 528 C ASP A 493 -6.966 -4.659 -3.338 1.00 0.62 C ATOM 529 O ASP A 493 -5.826 -4.919 -3.730 1.00 0.66 O ATOM 530 CB ASP A 493 -8.868 -3.820 -4.738 1.00 0.86 C ATOM 531 CG ASP A 493 -8.136 -3.265 -5.944 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.328 -3.782 -7.058 1.00 1.46 O ATOM 533 OD2 ASP A 493 -7.344 -2.311 -5.769 1.00 1.97 O ATOM 0 H ASP A 493 -10.000 -5.357 -3.158 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.843 -5.689 -4.986 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.891 -4.071 -5.020 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -8.929 -3.051 -3.968 1.00 0.86 H new ATOM 538 N LEU A 494 -7.205 -4.064 -2.170 1.00 0.61 N ATOM 539 CA LEU A 494 -6.104 -3.610 -1.328 1.00 0.69 C ATOM 540 C LEU A 494 -5.370 -4.794 -0.707 1.00 0.57 C ATOM 541 O LEU A 494 -4.204 -4.682 -0.342 1.00 0.56 O ATOM 542 CB LEU A 494 -6.584 -2.619 -0.246 1.00 0.91 C ATOM 543 CG LEU A 494 -7.670 -3.108 0.723 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.094 -4.026 1.789 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.362 -1.921 1.376 1.00 1.77 C ATOM 0 H LEU A 494 -8.136 -3.888 -1.792 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.401 -3.074 -1.966 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -5.718 -2.316 0.343 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.956 -1.726 -0.748 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.398 -3.679 0.147 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -7.891 -4.353 2.457 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -6.640 -4.895 1.314 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.338 -3.489 2.362 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.130 -2.279 2.061 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -7.630 -1.332 1.928 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -8.822 -1.300 0.607 1.00 1.77 H new ATOM 557 N ALA A 495 -6.058 -5.927 -0.592 1.00 0.56 N ATOM 558 CA ALA A 495 -5.437 -7.140 -0.088 1.00 0.59 C ATOM 559 C ALA A 495 -4.405 -7.650 -1.083 1.00 0.55 C ATOM 560 O ALA A 495 -3.304 -8.054 -0.705 1.00 0.58 O ATOM 561 CB ALA A 495 -6.486 -8.209 0.189 1.00 0.68 C ATOM 0 H ALA A 495 -7.042 -6.026 -0.841 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.935 -6.908 0.851 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.998 -9.108 0.565 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -7.193 -7.841 0.933 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -7.018 -8.444 -0.733 1.00 0.68 H new ATOM 567 N LYS A 496 -4.757 -7.606 -2.363 1.00 0.59 N ATOM 568 CA LYS A 496 -3.838 -8.011 -3.412 1.00 0.68 C ATOM 569 C LYS A 496 -2.689 -7.016 -3.520 1.00 0.63 C ATOM 570 O LYS A 496 -1.553 -7.410 -3.743 1.00 0.65 O ATOM 571 CB LYS A 496 -4.565 -8.144 -4.754 1.00 0.85 C ATOM 572 CG LYS A 496 -3.656 -8.501 -5.927 1.00 1.29 C ATOM 573 CD LYS A 496 -2.898 -9.806 -5.700 1.00 1.77 C ATOM 574 CE LYS A 496 -2.121 -10.221 -6.941 1.00 2.53 C ATOM 575 NZ LYS A 496 -1.100 -9.212 -7.331 1.00 2.98 N ATOM 0 H LYS A 496 -5.670 -7.295 -2.695 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.430 -8.988 -3.153 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.337 -8.908 -4.662 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.071 -7.204 -4.975 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.254 -8.585 -6.834 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -2.942 -7.693 -6.089 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.211 -9.688 -4.862 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.601 -10.594 -5.429 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -1.632 -11.178 -6.758 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.815 -10.371 -7.768 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -0.518 -9.589 -8.106 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -1.575 -8.342 -7.646 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -0.493 -8.999 -6.514 1.00 2.98 H new ATOM 589 N PHE A 497 -2.992 -5.732 -3.348 1.00 0.64 N ATOM 590 CA PHE A 497 -1.964 -4.687 -3.363 1.00 0.70 C ATOM 591 C PHE A 497 -1.063 -4.790 -2.133 1.00 0.62 C ATOM 592 O PHE A 497 0.118 -4.442 -2.175 1.00 0.67 O ATOM 593 CB PHE A 497 -2.606 -3.296 -3.435 1.00 0.84 C ATOM 594 CG PHE A 497 -3.092 -2.915 -4.808 1.00 0.98 C ATOM 595 CD1 PHE A 497 -3.455 -3.893 -5.720 1.00 1.34 C ATOM 596 CD2 PHE A 497 -3.206 -1.582 -5.182 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.914 -3.552 -6.977 1.00 1.67 C ATOM 598 CE2 PHE A 497 -3.662 -1.237 -6.438 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.956 -2.199 -7.351 1.00 1.82 C ATOM 0 H PHE A 497 -3.940 -5.387 -3.196 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.350 -4.834 -4.252 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.445 -3.258 -2.741 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.881 -2.555 -3.099 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -3.378 -4.934 -5.444 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -2.934 -0.806 -4.481 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -4.238 -4.318 -7.666 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -3.786 -0.196 -6.697 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.221 -1.924 -8.361 1.00 1.82 H new ATOM 609 N HIS A 498 -1.623 -5.298 -1.048 1.00 0.57 N ATOM 610 CA HIS A 498 -0.879 -5.489 0.186 1.00 0.62 C ATOM 611 C HIS A 498 0.128 -6.602 -0.010 1.00 0.54 C ATOM 612 O HIS A 498 1.330 -6.411 0.184 1.00 0.56 O ATOM 613 CB HIS A 498 -1.831 -5.829 1.342 1.00 0.75 C ATOM 614 CG HIS A 498 -1.133 -6.278 2.593 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.047 -7.600 2.970 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.477 -5.577 3.548 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.372 -7.694 4.097 1.00 1.85 C ATOM 618 NE2 HIS A 498 -0.012 -6.482 4.469 1.00 1.69 N ATOM 0 H HIS A 498 -2.600 -5.588 -0.997 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.357 -4.566 0.438 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.437 -4.952 1.571 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.515 -6.613 1.018 1.00 0.75 H new ATOM 0 HD2 HIS A 498 -0.344 -4.506 3.579 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.151 -8.609 4.626 1.00 1.85 H new ATOM 0 HE2 HIS A 498 0.525 -6.254 5.306 1.00 1.69 H new ATOM 627 N GLN A 499 -0.381 -7.757 -0.415 1.00 0.54 N ATOM 628 CA GLN A 499 0.451 -8.908 -0.717 1.00 0.60 C ATOM 629 C GLN A 499 1.391 -8.572 -1.866 1.00 0.53 C ATOM 630 O GLN A 499 2.503 -9.083 -1.935 1.00 0.54 O ATOM 631 CB GLN A 499 -0.435 -10.112 -1.059 1.00 0.77 C ATOM 632 CG GLN A 499 0.321 -11.426 -1.164 1.00 1.43 C ATOM 633 CD GLN A 499 -0.608 -12.625 -1.183 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.946 -13.183 -0.139 1.00 2.63 O ATOM 635 NE2 GLN A 499 -1.028 -13.033 -2.367 1.00 2.58 N ATOM 0 H GLN A 499 -1.380 -7.920 -0.543 1.00 0.54 H new ATOM 0 HA GLN A 499 1.054 -9.166 0.154 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.208 -10.209 -0.297 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.942 -9.920 -2.005 1.00 0.77 H new ATOM 0 HG2 GLN A 499 0.926 -11.423 -2.071 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.009 -11.515 -0.323 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.727 -12.546 -3.211 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -1.654 -13.835 -2.437 1.00 2.58 H new ATOM 644 N MET A 500 0.951 -7.672 -2.734 1.00 0.54 N ATOM 645 CA MET A 500 1.742 -7.261 -3.881 1.00 0.63 C ATOM 646 C MET A 500 3.081 -6.682 -3.441 1.00 0.57 C ATOM 647 O MET A 500 4.142 -7.207 -3.790 1.00 0.58 O ATOM 648 CB MET A 500 0.985 -6.235 -4.730 1.00 0.80 C ATOM 649 CG MET A 500 1.691 -5.864 -6.026 1.00 1.26 C ATOM 650 SD MET A 500 0.750 -4.684 -7.014 1.00 1.91 S ATOM 651 CE MET A 500 1.818 -4.515 -8.442 1.00 2.52 C ATOM 0 H MET A 500 0.044 -7.211 -2.663 1.00 0.54 H new ATOM 0 HA MET A 500 1.927 -8.148 -4.487 1.00 0.63 H new ATOM 0 HB2 MET A 500 -0.002 -6.632 -4.967 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.832 -5.332 -4.140 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.669 -5.441 -5.795 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.865 -6.766 -6.612 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.372 -3.815 -9.149 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.792 -4.141 -8.126 1.00 2.52 H new ATOM 0 HE3 MET A 500 1.941 -5.486 -8.922 1.00 2.52 H new ATOM 661 N LEU A 501 3.040 -5.613 -2.657 1.00 0.59 N ATOM 662 CA LEU A 501 4.267 -4.945 -2.259 1.00 0.65 C ATOM 663 C LEU A 501 4.969 -5.664 -1.115 1.00 0.56 C ATOM 664 O LEU A 501 6.190 -5.629 -1.030 1.00 0.62 O ATOM 665 CB LEU A 501 4.043 -3.482 -1.883 1.00 0.85 C ATOM 666 CG LEU A 501 3.759 -2.522 -3.048 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.364 -2.733 -3.615 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.936 -1.081 -2.597 1.00 1.91 C ATOM 0 H LEU A 501 2.184 -5.197 -2.290 1.00 0.59 H new ATOM 0 HA LEU A 501 4.911 -4.977 -3.138 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.208 -3.431 -1.185 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.925 -3.125 -1.351 1.00 0.85 H new ATOM 0 HG LEU A 501 4.475 -2.736 -3.841 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.196 -2.038 -4.437 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.270 -3.756 -3.980 1.00 2.09 H new ATOM 0 HD13 LEU A 501 1.624 -2.557 -2.835 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.732 -0.411 -3.432 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.244 -0.867 -1.782 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.959 -0.931 -2.253 1.00 1.91 H new ATOM 680 N VAL A 502 4.228 -6.327 -0.237 1.00 0.53 N ATOM 681 CA VAL A 502 4.879 -7.061 0.840 1.00 0.64 C ATOM 682 C VAL A 502 5.642 -8.248 0.252 1.00 0.61 C ATOM 683 O VAL A 502 6.633 -8.705 0.814 1.00 0.73 O ATOM 684 CB VAL A 502 3.892 -7.526 1.945 1.00 0.86 C ATOM 685 CG1 VAL A 502 2.995 -8.655 1.467 1.00 1.11 C ATOM 686 CG2 VAL A 502 4.649 -7.931 3.205 1.00 1.02 C ATOM 0 H VAL A 502 3.209 -6.373 -0.246 1.00 0.53 H new ATOM 0 HA VAL A 502 5.574 -6.380 1.331 1.00 0.64 H new ATOM 0 HB VAL A 502 3.247 -6.681 2.183 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.321 -8.949 2.271 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.412 -8.318 0.610 1.00 1.11 H new ATOM 0 HG13 VAL A 502 3.608 -9.508 1.177 1.00 1.11 H new ATOM 0 HG21 VAL A 502 3.940 -8.254 3.967 1.00 1.02 H new ATOM 0 HG22 VAL A 502 5.330 -8.750 2.973 1.00 1.02 H new ATOM 0 HG23 VAL A 502 5.219 -7.079 3.577 1.00 1.02 H new ATOM 696 N LYS A 503 5.190 -8.715 -0.909 1.00 0.58 N ATOM 697 CA LYS A 503 5.896 -9.749 -1.652 1.00 0.71 C ATOM 698 C LYS A 503 7.002 -9.143 -2.521 1.00 0.69 C ATOM 699 O LYS A 503 8.036 -9.776 -2.747 1.00 0.84 O ATOM 700 CB LYS A 503 4.897 -10.553 -2.496 1.00 0.88 C ATOM 701 CG LYS A 503 5.510 -11.343 -3.636 1.00 1.35 C ATOM 702 CD LYS A 503 4.522 -12.345 -4.221 1.00 1.44 C ATOM 703 CE LYS A 503 4.338 -13.544 -3.299 1.00 2.04 C ATOM 704 NZ LYS A 503 5.633 -14.212 -2.997 1.00 2.54 N ATOM 0 H LYS A 503 4.333 -8.390 -1.356 1.00 0.58 H new ATOM 0 HA LYS A 503 6.377 -10.426 -0.946 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.364 -11.243 -1.841 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.156 -9.867 -2.907 1.00 0.88 H new ATOM 0 HG2 LYS A 503 5.840 -10.658 -4.417 1.00 1.35 H new ATOM 0 HG3 LYS A 503 6.395 -11.870 -3.279 1.00 1.35 H new ATOM 0 HD2 LYS A 503 3.561 -11.858 -4.384 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.877 -12.683 -5.194 1.00 1.44 H new ATOM 0 HE2 LYS A 503 3.871 -13.219 -2.369 1.00 2.04 H new ATOM 0 HE3 LYS A 503 3.660 -14.259 -3.764 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 5.458 -15.198 -2.717 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 6.238 -14.195 -3.843 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 6.109 -13.711 -2.220 1.00 2.54 H new ATOM 718 N ILE A 504 6.799 -7.911 -2.999 1.00 0.62 N ATOM 719 CA ILE A 504 7.821 -7.242 -3.806 1.00 0.73 C ATOM 720 C ILE A 504 8.978 -6.756 -2.928 1.00 0.73 C ATOM 721 O ILE A 504 10.072 -6.474 -3.419 1.00 0.85 O ATOM 722 CB ILE A 504 7.254 -6.063 -4.645 1.00 0.87 C ATOM 723 CG1 ILE A 504 8.143 -5.793 -5.863 1.00 1.30 C ATOM 724 CG2 ILE A 504 7.131 -4.794 -3.814 1.00 1.34 C ATOM 725 CD1 ILE A 504 8.261 -6.971 -6.804 1.00 1.75 C ATOM 0 H ILE A 504 5.951 -7.366 -2.844 1.00 0.62 H new ATOM 0 HA ILE A 504 8.191 -7.987 -4.510 1.00 0.73 H new ATOM 0 HB ILE A 504 6.258 -6.353 -4.980 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.743 -4.940 -6.411 1.00 1.30 H new ATOM 0 HG13 ILE A 504 9.139 -5.513 -5.520 1.00 1.30 H new ATOM 0 HG21 ILE A 504 6.731 -3.991 -4.433 1.00 1.34 H new ATOM 0 HG22 ILE A 504 6.460 -4.973 -2.974 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.114 -4.508 -3.439 1.00 1.34 H new ATOM 0 HD11 ILE A 504 8.906 -6.704 -7.642 1.00 1.75 H new ATOM 0 HD12 ILE A 504 8.690 -7.820 -6.272 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.273 -7.239 -7.178 1.00 1.75 H new ATOM 737 N ILE A 505 8.725 -6.658 -1.628 1.00 0.71 N ATOM 738 CA ILE A 505 9.758 -6.292 -0.669 1.00 0.85 C ATOM 739 C ILE A 505 10.304 -7.540 0.012 1.00 0.97 C ATOM 740 O ILE A 505 11.452 -7.929 -0.206 1.00 1.20 O ATOM 741 CB ILE A 505 9.225 -5.321 0.410 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.683 -4.044 -0.233 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.325 -4.983 1.408 1.00 1.83 C ATOM 744 CD1 ILE A 505 7.995 -3.119 0.748 1.00 2.19 C ATOM 745 OXT ILE A 505 9.530 -8.171 0.771 1.00 1.58 O ATOM 0 H ILE A 505 7.809 -6.828 -1.213 1.00 0.71 H new ATOM 0 HA ILE A 505 10.550 -5.788 -1.223 1.00 0.85 H new ATOM 0 HB ILE A 505 8.409 -5.812 0.940 1.00 1.10 H new ATOM 0 HG12 ILE A 505 9.505 -3.509 -0.709 1.00 1.49 H new ATOM 0 HG13 ILE A 505 7.979 -4.314 -1.021 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.935 -4.299 2.161 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.671 -5.897 1.892 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.158 -4.512 0.886 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.636 -2.234 0.223 1.00 2.19 H new ATOM 0 HD12 ILE A 505 7.152 -3.636 1.206 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.701 -2.820 1.522 1.00 2.19 H new