USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 861 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 80 THR OG1 : rot -39:sc= 0.632 USER MOD Set 1.2: A 83 THR OG1 : rot 94:sc= 0.551 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0808 (180deg=-0.425) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -150:sc= -0.0926 (180deg=-0.863) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 SER OG : rot 180:sc= -0.125 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.517 (180deg=-1.86!) USER MOD Single : A 20 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.8) USER MOD Single : A 24 TYR OH : rot 45:sc= 0.341 USER MOD Single : A 28 HIS : +bothHN:sc= -1.77 X(o=-1.8,f=-2) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 0.455 (180deg=0.163) USER MOD Single : A 39 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.5!) USER MOD Single : A 47 SER OG : rot -1:sc= 0.496 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.9!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.39) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc=-0.00069 (180deg=-0.0733) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0.601 (180deg=0.598) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -93:sc= 1.05 USER MOD Single : A 106 GLN : amide:sc=-0.00307 X(o=-0.0031,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.424 13.703 -1.666 1.00 0.00 N ATOM 2 CA LEU A 1 21.807 12.726 -0.611 1.00 0.00 C ATOM 3 C LEU A 1 21.378 11.313 -1.065 1.00 0.00 C ATOM 4 O LEU A 1 22.214 10.526 -1.527 1.00 0.00 O ATOM 5 CB LEU A 1 21.178 13.165 0.764 1.00 0.00 C ATOM 6 CG LEU A 1 21.662 12.449 2.086 1.00 0.00 C ATOM 7 CD1 LEU A 1 21.036 11.047 2.283 1.00 0.00 C ATOM 8 CD2 LEU A 1 23.208 12.394 2.162 1.00 0.00 C ATOM 0 H1 LEU A 1 21.707 14.660 -1.373 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.902 13.458 -2.556 1.00 0.00 H new ATOM 0 H3 LEU A 1 20.394 13.675 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 1 22.886 12.702 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 1 21.358 14.234 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 1 20.099 13.029 0.691 1.00 0.00 H new ATOM 0 HG LEU A 1 21.302 13.060 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 1 21.409 10.609 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 1 19.951 11.137 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.307 10.406 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.509 11.895 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 1 23.595 11.840 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 1 23.609 13.407 2.150 1.00 0.00 H new ATOM 22 N ALA A 2 20.066 11.020 -0.962 1.00 0.00 N ATOM 23 CA ALA A 2 19.466 9.741 -1.389 1.00 0.00 C ATOM 24 C ALA A 2 17.934 9.835 -1.293 1.00 0.00 C ATOM 25 O ALA A 2 17.400 10.244 -0.257 1.00 0.00 O ATOM 26 CB ALA A 2 19.978 8.553 -0.545 1.00 0.00 C ATOM 0 H ALA A 2 19.385 11.674 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 2 19.763 9.559 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.511 7.632 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 2 21.060 8.473 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.725 8.715 0.503 1.00 0.00 H new ATOM 32 N GLY A 3 17.243 9.462 -2.378 1.00 0.00 N ATOM 33 CA GLY A 3 15.782 9.473 -2.426 1.00 0.00 C ATOM 34 C GLY A 3 15.279 9.053 -3.795 1.00 0.00 C ATOM 35 O GLY A 3 14.713 9.867 -4.530 1.00 0.00 O ATOM 0 H GLY A 3 17.683 9.146 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.385 8.800 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.414 10.472 -2.190 1.00 0.00 H new ATOM 39 N GLY A 4 15.506 7.772 -4.139 1.00 0.00 N ATOM 40 CA GLY A 4 15.101 7.209 -5.430 1.00 0.00 C ATOM 41 C GLY A 4 14.935 5.694 -5.367 1.00 0.00 C ATOM 42 O GLY A 4 15.791 5.000 -4.810 1.00 0.00 O ATOM 0 H GLY A 4 15.975 7.103 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.162 7.664 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.846 7.461 -6.185 1.00 0.00 H new ATOM 46 N LYS A 5 13.820 5.188 -5.934 1.00 0.00 N ATOM 47 CA LYS A 5 13.469 3.753 -5.938 1.00 0.00 C ATOM 48 C LYS A 5 13.246 3.268 -7.379 1.00 0.00 C ATOM 49 O LYS A 5 13.965 2.398 -7.867 1.00 0.00 O ATOM 50 CB LYS A 5 12.187 3.503 -5.093 1.00 0.00 C ATOM 51 CG LYS A 5 12.323 3.880 -3.608 1.00 0.00 C ATOM 52 CD LYS A 5 11.055 3.561 -2.787 1.00 0.00 C ATOM 53 CE LYS A 5 11.270 3.786 -1.286 1.00 0.00 C ATOM 54 NZ LYS A 5 12.381 2.947 -0.755 1.00 0.00 N ATOM 0 H LYS A 5 13.130 5.772 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 5 14.294 3.195 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.364 4.072 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.919 2.449 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.171 3.346 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.543 4.944 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.232 4.187 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.762 2.525 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.490 4.838 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.351 3.555 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.306 2.887 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.320 1.992 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.293 3.376 -1.012 1.00 0.00 H new ATOM 68 N SER A 6 12.237 3.848 -8.055 1.00 0.00 N ATOM 69 CA SER A 6 11.838 3.444 -9.419 1.00 0.00 C ATOM 70 C SER A 6 11.692 4.689 -10.307 1.00 0.00 C ATOM 71 O SER A 6 12.401 4.841 -11.311 1.00 0.00 O ATOM 72 CB SER A 6 10.521 2.633 -9.360 1.00 0.00 C ATOM 73 OG SER A 6 10.119 2.166 -10.636 1.00 0.00 O ATOM 0 H SER A 6 11.675 4.609 -7.673 1.00 0.00 H new ATOM 0 HA SER A 6 12.607 2.807 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.650 1.784 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.732 3.256 -8.938 1.00 0.00 H new ATOM 0 HG SER A 6 9.285 1.658 -10.551 1.00 0.00 H new ATOM 79 N MET A 7 10.767 5.584 -9.929 1.00 0.00 N ATOM 80 CA MET A 7 10.566 6.865 -10.626 1.00 0.00 C ATOM 81 C MET A 7 11.437 7.946 -9.962 1.00 0.00 C ATOM 82 O MET A 7 11.678 7.889 -8.751 1.00 0.00 O ATOM 83 CB MET A 7 9.062 7.254 -10.605 1.00 0.00 C ATOM 84 CG MET A 7 8.708 8.493 -11.443 1.00 0.00 C ATOM 85 SD MET A 7 6.941 8.867 -11.457 1.00 0.00 S ATOM 86 CE MET A 7 6.250 7.394 -12.217 1.00 0.00 C ATOM 0 H MET A 7 10.140 5.442 -9.137 1.00 0.00 H new ATOM 0 HA MET A 7 10.868 6.771 -11.669 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.477 6.408 -10.966 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.761 7.432 -9.573 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.251 9.354 -11.053 1.00 0.00 H new ATOM 0 HG3 MET A 7 9.048 8.339 -12.467 1.00 0.00 H new ATOM 0 HE1 MET A 7 5.343 7.657 -12.761 1.00 0.00 H new ATOM 0 HE2 MET A 7 6.976 6.966 -12.908 1.00 0.00 H new ATOM 0 HE3 MET A 7 6.011 6.664 -11.444 1.00 0.00 H new ATOM 96 N ASN A 8 11.931 8.911 -10.763 1.00 0.00 N ATOM 97 CA ASN A 8 12.734 10.039 -10.250 1.00 0.00 C ATOM 98 C ASN A 8 11.829 11.058 -9.535 1.00 0.00 C ATOM 99 O ASN A 8 11.474 12.111 -10.082 1.00 0.00 O ATOM 100 CB ASN A 8 13.558 10.693 -11.391 1.00 0.00 C ATOM 101 CG ASN A 8 14.636 9.765 -11.967 1.00 0.00 C ATOM 102 OD1 ASN A 8 15.203 8.935 -11.256 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.931 9.901 -13.250 1.00 0.00 N ATOM 0 H ASN A 8 11.787 8.931 -11.773 1.00 0.00 H new ATOM 0 HA ASN A 8 13.446 9.660 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.882 10.995 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.032 11.600 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.645 9.309 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.444 10.598 -13.814 1.00 0.00 H new ATOM 110 N VAL A 9 11.446 10.703 -8.298 1.00 0.00 N ATOM 111 CA VAL A 9 10.544 11.503 -7.465 1.00 0.00 C ATOM 112 C VAL A 9 11.297 12.699 -6.842 1.00 0.00 C ATOM 113 O VAL A 9 10.690 13.722 -6.547 1.00 0.00 O ATOM 114 CB VAL A 9 9.878 10.624 -6.337 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.883 11.440 -5.496 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.173 9.383 -6.915 1.00 0.00 C ATOM 0 H VAL A 9 11.759 9.843 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 9 9.750 11.886 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 9 10.690 10.289 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.445 10.801 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.404 12.271 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.094 11.827 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.728 8.806 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.392 9.698 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.899 8.765 -7.444 1.00 0.00 H new ATOM 126 N GLU A 10 12.628 12.554 -6.661 1.00 0.00 N ATOM 127 CA GLU A 10 13.494 13.618 -6.098 1.00 0.00 C ATOM 128 C GLU A 10 13.584 14.821 -7.066 1.00 0.00 C ATOM 129 O GLU A 10 13.681 15.981 -6.637 1.00 0.00 O ATOM 130 CB GLU A 10 14.904 13.058 -5.772 1.00 0.00 C ATOM 131 CG GLU A 10 15.857 14.054 -5.069 1.00 0.00 C ATOM 132 CD GLU A 10 17.206 13.429 -4.671 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.291 12.803 -3.584 1.00 0.00 O ATOM 134 OE2 GLU A 10 18.194 13.578 -5.427 1.00 0.00 O ATOM 0 H GLU A 10 13.133 11.700 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 10 13.047 13.969 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.791 12.178 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.370 12.726 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.038 14.901 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.368 14.445 -4.177 1.00 0.00 H new ATOM 141 N SER A 11 13.539 14.514 -8.374 1.00 0.00 N ATOM 142 CA SER A 11 13.459 15.522 -9.444 1.00 0.00 C ATOM 143 C SER A 11 12.159 16.341 -9.314 1.00 0.00 C ATOM 144 O SER A 11 12.161 17.578 -9.435 1.00 0.00 O ATOM 145 CB SER A 11 13.513 14.808 -10.815 1.00 0.00 C ATOM 146 OG SER A 11 14.652 13.971 -10.903 1.00 0.00 O ATOM 0 H SER A 11 13.557 13.555 -8.720 1.00 0.00 H new ATOM 0 HA SER A 11 14.301 16.209 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.609 14.215 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.538 15.548 -11.615 1.00 0.00 H new ATOM 0 HG SER A 11 14.666 13.528 -11.777 1.00 0.00 H new ATOM 152 N TYR A 12 11.058 15.618 -9.041 1.00 0.00 N ATOM 153 CA TYR A 12 9.735 16.215 -8.825 1.00 0.00 C ATOM 154 C TYR A 12 9.710 17.013 -7.511 1.00 0.00 C ATOM 155 O TYR A 12 9.133 18.084 -7.454 1.00 0.00 O ATOM 156 CB TYR A 12 8.636 15.120 -8.822 1.00 0.00 C ATOM 157 CG TYR A 12 8.554 14.305 -10.124 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.686 14.921 -11.370 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.342 12.925 -10.107 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.615 14.197 -12.534 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.269 12.199 -11.274 1.00 0.00 C ATOM 162 CZ TYR A 12 8.404 12.834 -12.483 1.00 0.00 C ATOM 163 OH TYR A 12 8.332 12.107 -13.651 1.00 0.00 O ATOM 0 H TYR A 12 11.065 14.601 -8.965 1.00 0.00 H new ATOM 0 HA TYR A 12 9.530 16.902 -9.646 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.820 14.439 -7.991 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.670 15.591 -8.640 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.847 15.988 -11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.233 12.418 -9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.724 14.693 -13.487 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.106 11.132 -11.238 1.00 0.00 H new ATOM 0 HH TYR A 12 8.181 11.162 -13.439 1.00 0.00 H new ATOM 173 N GLU A 13 10.394 16.482 -6.490 1.00 0.00 N ATOM 174 CA GLU A 13 10.426 17.018 -5.120 1.00 0.00 C ATOM 175 C GLU A 13 10.908 18.492 -5.130 1.00 0.00 C ATOM 176 O GLU A 13 10.198 19.407 -4.673 1.00 0.00 O ATOM 177 CB GLU A 13 11.369 16.095 -4.272 1.00 0.00 C ATOM 178 CG GLU A 13 10.947 15.830 -2.823 1.00 0.00 C ATOM 179 CD GLU A 13 11.048 17.044 -1.903 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.158 17.605 -1.777 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.041 17.417 -1.262 1.00 0.00 O ATOM 0 H GLU A 13 10.960 15.640 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 13 9.430 17.021 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.456 15.136 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.363 16.542 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.918 15.470 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.567 15.030 -2.418 1.00 0.00 H new ATOM 188 N LYS A 14 12.099 18.700 -5.724 1.00 0.00 N ATOM 189 CA LYS A 14 12.711 20.031 -5.823 1.00 0.00 C ATOM 190 C LYS A 14 11.903 20.966 -6.749 1.00 0.00 C ATOM 191 O LYS A 14 11.666 22.114 -6.380 1.00 0.00 O ATOM 192 CB LYS A 14 14.191 19.959 -6.302 1.00 0.00 C ATOM 193 CG LYS A 14 14.425 19.228 -7.647 1.00 0.00 C ATOM 194 CD LYS A 14 15.793 19.555 -8.309 1.00 0.00 C ATOM 195 CE LYS A 14 15.804 20.896 -9.093 1.00 0.00 C ATOM 196 NZ LYS A 14 15.538 22.094 -8.247 1.00 0.00 N ATOM 0 H LYS A 14 12.656 17.956 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 14 12.699 20.447 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.575 20.975 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.780 19.461 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.360 18.153 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.625 19.493 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.561 19.590 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.061 18.745 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.773 21.014 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.056 20.849 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.930 22.939 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.512 22.211 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.986 21.969 -7.317 1.00 0.00 H new ATOM 210 N ILE A 15 11.468 20.469 -7.943 1.00 0.00 N ATOM 211 CA ILE A 15 10.792 21.330 -8.955 1.00 0.00 C ATOM 212 C ILE A 15 9.435 21.847 -8.420 1.00 0.00 C ATOM 213 O ILE A 15 9.014 22.962 -8.735 1.00 0.00 O ATOM 214 CB ILE A 15 10.620 20.606 -10.355 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.336 21.638 -11.501 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.509 19.531 -10.320 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.247 21.026 -12.896 1.00 0.00 C ATOM 0 H ILE A 15 11.571 19.494 -8.224 1.00 0.00 H new ATOM 0 HA ILE A 15 11.443 22.187 -9.128 1.00 0.00 H new ATOM 0 HB ILE A 15 11.565 20.105 -10.564 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.401 22.154 -11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.124 22.391 -11.498 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.426 19.061 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.757 18.775 -9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.559 19.998 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.049 21.811 -13.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.189 20.535 -13.139 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.439 20.294 -12.922 1.00 0.00 H new ATOM 229 N LEU A 16 8.788 21.025 -7.574 1.00 0.00 N ATOM 230 CA LEU A 16 7.545 21.392 -6.875 1.00 0.00 C ATOM 231 C LEU A 16 7.799 22.550 -5.903 1.00 0.00 C ATOM 232 O LEU A 16 7.014 23.504 -5.848 1.00 0.00 O ATOM 233 CB LEU A 16 6.974 20.160 -6.121 1.00 0.00 C ATOM 234 CG LEU A 16 6.287 19.079 -7.011 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.974 17.795 -6.217 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.027 19.645 -7.679 1.00 0.00 C ATOM 0 H LEU A 16 9.115 20.084 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 16 6.811 21.720 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.786 19.687 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.251 20.511 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 16 6.991 18.802 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.496 17.068 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.900 17.375 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.304 18.032 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.564 18.874 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.323 19.968 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.298 20.495 -8.305 1.00 0.00 H new ATOM 248 N ARG A 17 8.910 22.450 -5.153 1.00 0.00 N ATOM 249 CA ARG A 17 9.334 23.497 -4.212 1.00 0.00 C ATOM 250 C ARG A 17 9.664 24.811 -4.946 1.00 0.00 C ATOM 251 O ARG A 17 9.303 25.879 -4.475 1.00 0.00 O ATOM 252 CB ARG A 17 10.548 23.027 -3.375 1.00 0.00 C ATOM 253 CG ARG A 17 10.252 21.808 -2.480 1.00 0.00 C ATOM 254 CD ARG A 17 11.466 21.351 -1.667 1.00 0.00 C ATOM 255 NE ARG A 17 11.125 20.192 -0.834 1.00 0.00 N ATOM 256 CZ ARG A 17 11.440 20.029 0.456 1.00 0.00 C ATOM 257 NH1 ARG A 17 12.104 20.956 1.117 1.00 0.00 N ATOM 258 NH2 ARG A 17 11.085 18.918 1.077 1.00 0.00 N ATOM 0 H ARG A 17 9.535 21.645 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 17 8.500 23.688 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.368 22.780 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.887 23.852 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.438 22.054 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.908 20.982 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.284 21.094 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.816 22.168 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 17 10.599 19.441 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.386 21.815 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.335 20.814 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.575 18.193 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.321 18.786 2.060 1.00 0.00 H new ATOM 272 N ASP A 18 10.314 24.708 -6.116 1.00 0.00 N ATOM 273 CA ASP A 18 10.735 25.884 -6.907 1.00 0.00 C ATOM 274 C ASP A 18 9.502 26.654 -7.428 1.00 0.00 C ATOM 275 O ASP A 18 9.444 27.886 -7.338 1.00 0.00 O ATOM 276 CB ASP A 18 11.637 25.462 -8.096 1.00 0.00 C ATOM 277 CG ASP A 18 12.906 24.683 -7.697 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.591 25.081 -6.723 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.230 23.668 -8.351 1.00 0.00 O ATOM 0 H ASP A 18 10.563 23.815 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 18 11.312 26.538 -6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.050 24.848 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.933 26.356 -8.645 1.00 0.00 H new ATOM 284 N ARG A 19 8.512 25.888 -7.941 1.00 0.00 N ATOM 285 CA ARG A 19 7.237 26.433 -8.456 1.00 0.00 C ATOM 286 C ARG A 19 6.411 27.051 -7.325 1.00 0.00 C ATOM 287 O ARG A 19 5.852 28.129 -7.481 1.00 0.00 O ATOM 288 CB ARG A 19 6.409 25.338 -9.211 1.00 0.00 C ATOM 289 CG ARG A 19 6.696 25.193 -10.730 1.00 0.00 C ATOM 290 CD ARG A 19 8.180 24.948 -11.070 1.00 0.00 C ATOM 291 NE ARG A 19 8.983 26.187 -11.122 1.00 0.00 N ATOM 292 CZ ARG A 19 10.315 26.234 -11.282 1.00 0.00 C ATOM 293 NH1 ARG A 19 11.026 25.119 -11.385 1.00 0.00 N ATOM 294 NH2 ARG A 19 10.930 27.405 -11.314 1.00 0.00 N ATOM 0 H ARG A 19 8.576 24.872 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 19 7.481 27.218 -9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.595 24.376 -8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.349 25.558 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.103 24.367 -11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.362 26.097 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.609 24.277 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.245 24.441 -12.033 1.00 0.00 H new ATOM 0 HE ARG A 19 8.488 27.074 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.561 24.212 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.038 25.169 -11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.392 28.266 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.942 27.446 -11.435 1.00 0.00 H new ATOM 308 N GLN A 20 6.338 26.364 -6.178 1.00 0.00 N ATOM 309 CA GLN A 20 5.532 26.849 -5.042 1.00 0.00 C ATOM 310 C GLN A 20 6.176 28.095 -4.411 1.00 0.00 C ATOM 311 O GLN A 20 5.459 28.919 -3.898 1.00 0.00 O ATOM 312 CB GLN A 20 5.277 25.748 -3.964 1.00 0.00 C ATOM 313 CG GLN A 20 6.412 25.529 -2.937 1.00 0.00 C ATOM 314 CD GLN A 20 6.157 24.412 -1.912 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.098 23.782 -1.432 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.896 24.180 -1.540 1.00 0.00 N ATOM 0 H GLN A 20 6.820 25.481 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 20 4.556 27.121 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.367 26.003 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.089 24.804 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.331 25.302 -3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.580 26.462 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.135 24.718 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.694 23.465 -0.841 1.00 0.00 H new ATOM 325 N ARG A 21 7.527 28.215 -4.485 1.00 0.00 N ATOM 326 CA ARG A 21 8.291 29.342 -3.881 1.00 0.00 C ATOM 327 C ARG A 21 8.144 30.645 -4.694 1.00 0.00 C ATOM 328 O ARG A 21 7.968 31.724 -4.108 1.00 0.00 O ATOM 329 CB ARG A 21 9.798 28.988 -3.733 1.00 0.00 C ATOM 330 CG ARG A 21 10.156 28.139 -2.493 1.00 0.00 C ATOM 331 CD ARG A 21 11.648 27.776 -2.462 1.00 0.00 C ATOM 332 NE ARG A 21 12.073 27.203 -1.176 1.00 0.00 N ATOM 333 CZ ARG A 21 13.347 26.937 -0.850 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.323 27.088 -1.746 1.00 0.00 N ATOM 335 NH2 ARG A 21 13.640 26.493 0.360 1.00 0.00 N ATOM 0 H ARG A 21 8.118 27.535 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 21 7.865 29.507 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.118 28.451 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.371 29.915 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.897 28.689 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.560 27.227 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.859 27.063 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.238 28.669 -2.668 1.00 0.00 H new ATOM 0 HE ARG A 21 11.351 26.994 -0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.104 27.408 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.288 26.883 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.898 26.353 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.608 26.291 0.608 1.00 0.00 H new ATOM 349 N GLU A 22 8.254 30.540 -6.031 1.00 0.00 N ATOM 350 CA GLU A 22 8.088 31.698 -6.934 1.00 0.00 C ATOM 351 C GLU A 22 6.650 32.255 -6.809 1.00 0.00 C ATOM 352 O GLU A 22 6.436 33.475 -6.689 1.00 0.00 O ATOM 353 CB GLU A 22 8.428 31.317 -8.407 1.00 0.00 C ATOM 354 CG GLU A 22 7.591 30.167 -8.995 1.00 0.00 C ATOM 355 CD GLU A 22 7.808 29.948 -10.493 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.742 29.216 -10.871 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.048 30.510 -11.303 1.00 0.00 O ATOM 0 H GLU A 22 8.457 29.664 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 22 8.788 32.479 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.296 32.199 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.482 31.043 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.832 29.246 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.535 30.370 -8.816 1.00 0.00 H new ATOM 364 N LEU A 23 5.682 31.322 -6.774 1.00 0.00 N ATOM 365 CA LEU A 23 4.269 31.644 -6.584 1.00 0.00 C ATOM 366 C LEU A 23 4.016 32.116 -5.145 1.00 0.00 C ATOM 367 O LEU A 23 3.191 32.994 -4.942 1.00 0.00 O ATOM 368 CB LEU A 23 3.377 30.424 -6.934 1.00 0.00 C ATOM 369 CG LEU A 23 3.476 29.894 -8.404 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.540 28.679 -8.633 1.00 0.00 C ATOM 371 CD2 LEU A 23 3.216 31.019 -9.430 1.00 0.00 C ATOM 0 H LEU A 23 5.865 30.324 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 23 4.005 32.457 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.632 29.608 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.339 30.690 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 23 4.498 29.547 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.634 28.337 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.819 27.872 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.508 28.973 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.293 30.615 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.217 31.427 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.955 31.810 -9.298 1.00 0.00 H new ATOM 383 N TYR A 24 4.767 31.551 -4.167 1.00 0.00 N ATOM 384 CA TYR A 24 4.605 31.873 -2.726 1.00 0.00 C ATOM 385 C TYR A 24 4.855 33.364 -2.503 1.00 0.00 C ATOM 386 O TYR A 24 3.990 34.052 -2.005 1.00 0.00 O ATOM 387 CB TYR A 24 5.572 31.040 -1.815 1.00 0.00 C ATOM 388 CG TYR A 24 4.897 30.307 -0.637 1.00 0.00 C ATOM 389 CD1 TYR A 24 4.642 30.959 0.574 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.532 28.960 -0.738 1.00 0.00 C ATOM 391 CE1 TYR A 24 4.048 30.294 1.631 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.937 28.298 0.316 1.00 0.00 C ATOM 393 CZ TYR A 24 3.700 28.967 1.498 1.00 0.00 C ATOM 394 OH TYR A 24 3.124 28.298 2.554 1.00 0.00 O ATOM 0 H TYR A 24 5.497 30.864 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 24 3.584 31.612 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.084 30.304 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.335 31.708 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.913 31.998 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.720 28.428 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.857 30.813 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.658 27.260 0.216 1.00 0.00 H new ATOM 0 HH TYR A 24 2.425 28.857 2.953 1.00 0.00 H new ATOM 404 N ARG A 25 6.049 33.834 -2.915 1.00 0.00 N ATOM 405 CA ARG A 25 6.469 35.241 -2.727 1.00 0.00 C ATOM 406 C ARG A 25 5.565 36.199 -3.536 1.00 0.00 C ATOM 407 O ARG A 25 5.360 37.351 -3.136 1.00 0.00 O ATOM 408 CB ARG A 25 7.966 35.445 -3.111 1.00 0.00 C ATOM 409 CG ARG A 25 8.272 35.319 -4.617 1.00 0.00 C ATOM 410 CD ARG A 25 9.723 35.670 -4.973 1.00 0.00 C ATOM 411 NE ARG A 25 9.915 35.733 -6.436 1.00 0.00 N ATOM 412 CZ ARG A 25 10.784 36.541 -7.075 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.576 37.356 -6.406 1.00 0.00 N ATOM 414 NH2 ARG A 25 10.855 36.531 -8.393 1.00 0.00 N ATOM 0 H ARG A 25 6.746 33.256 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 25 6.361 35.477 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.282 36.432 -2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.568 34.714 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.063 34.299 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.600 35.973 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.987 36.629 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.395 34.925 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 25 9.343 35.114 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.537 37.382 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.227 37.960 -6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.251 35.910 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.514 37.144 -8.873 1.00 0.00 H new ATOM 428 N ARG A 26 5.041 35.697 -4.686 1.00 0.00 N ATOM 429 CA ARG A 26 4.080 36.437 -5.521 1.00 0.00 C ATOM 430 C ARG A 26 2.803 36.802 -4.723 1.00 0.00 C ATOM 431 O ARG A 26 2.453 37.980 -4.594 1.00 0.00 O ATOM 432 CB ARG A 26 3.714 35.607 -6.784 1.00 0.00 C ATOM 433 CG ARG A 26 2.633 36.246 -7.677 1.00 0.00 C ATOM 434 CD ARG A 26 2.214 35.371 -8.862 1.00 0.00 C ATOM 435 NE ARG A 26 1.102 35.987 -9.609 1.00 0.00 N ATOM 436 CZ ARG A 26 0.554 35.500 -10.728 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.025 34.395 -11.292 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.469 36.130 -11.287 1.00 0.00 N ATOM 0 H ARG A 26 5.276 34.774 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 26 4.553 37.368 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.615 35.456 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.371 34.621 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.755 36.463 -7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.003 37.199 -8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.065 35.222 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.914 34.386 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 26 0.718 36.858 -9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.815 33.905 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.597 34.036 -12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.836 36.983 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.890 35.762 -12.140 1.00 0.00 H new ATOM 452 N LEU A 27 2.122 35.781 -4.178 1.00 0.00 N ATOM 453 CA LEU A 27 0.827 35.970 -3.494 1.00 0.00 C ATOM 454 C LEU A 27 1.009 36.394 -2.020 1.00 0.00 C ATOM 455 O LEU A 27 0.152 37.088 -1.465 1.00 0.00 O ATOM 456 CB LEU A 27 -0.085 34.710 -3.678 1.00 0.00 C ATOM 457 CG LEU A 27 0.546 33.292 -3.464 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.827 32.956 -2.001 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.297 32.188 -4.110 1.00 0.00 C ATOM 0 H LEU A 27 2.445 34.814 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 27 0.305 36.802 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.925 34.806 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.494 34.742 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 27 1.512 33.337 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.263 31.959 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.524 33.685 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.105 32.983 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.176 31.221 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.294 32.187 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.373 32.369 -5.182 1.00 0.00 H new ATOM 471 N HIS A 28 2.166 36.038 -1.415 1.00 0.00 N ATOM 472 CA HIS A 28 2.519 36.408 -0.012 1.00 0.00 C ATOM 473 C HIS A 28 3.246 37.763 -0.004 1.00 0.00 C ATOM 474 O HIS A 28 4.261 37.943 0.668 1.00 0.00 O ATOM 475 CB HIS A 28 3.372 35.303 0.706 1.00 0.00 C ATOM 476 CG HIS A 28 2.580 34.332 1.524 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.426 34.457 2.882 1.00 0.00 N ATOM 478 CD2 HIS A 28 1.890 33.225 1.185 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.688 33.476 3.328 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.346 32.718 2.317 1.00 0.00 N ATOM 0 H HIS A 28 2.886 35.486 -1.881 1.00 0.00 H new ATOM 0 HA HIS A 28 1.592 36.492 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.932 34.750 -0.048 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.102 35.790 1.352 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.826 35.201 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.789 32.816 0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.407 33.317 4.359 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.765 31.882 2.373 1.00 0.00 H new ATOM 489 N LYS A 29 2.652 38.711 -0.716 1.00 0.00 N ATOM 490 CA LYS A 29 3.130 40.099 -0.841 1.00 0.00 C ATOM 491 C LYS A 29 3.080 40.849 0.516 1.00 0.00 C ATOM 492 O LYS A 29 3.819 41.810 0.723 1.00 0.00 O ATOM 493 CB LYS A 29 2.247 40.796 -1.901 1.00 0.00 C ATOM 494 CG LYS A 29 0.732 40.830 -1.530 1.00 0.00 C ATOM 495 CD LYS A 29 -0.217 40.938 -2.743 1.00 0.00 C ATOM 496 CE LYS A 29 -0.141 39.719 -3.673 1.00 0.00 C ATOM 497 NZ LYS A 29 -1.269 39.679 -4.643 1.00 0.00 N ATOM 0 H LYS A 29 1.796 38.539 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 29 4.175 40.108 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.601 41.817 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.367 40.283 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.487 39.927 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.551 41.675 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.241 41.054 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.027 41.837 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.803 39.738 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.146 38.808 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.973 39.166 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.081 39.193 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.542 40.650 -4.898 1.00 0.00 H new ATOM 511 N ILE A 30 2.200 40.366 1.423 1.00 0.00 N ATOM 512 CA ILE A 30 2.025 40.918 2.786 1.00 0.00 C ATOM 513 C ILE A 30 3.307 40.786 3.640 1.00 0.00 C ATOM 514 O ILE A 30 3.610 41.667 4.453 1.00 0.00 O ATOM 515 CB ILE A 30 0.802 40.272 3.568 1.00 0.00 C ATOM 516 CG1 ILE A 30 0.913 38.701 3.732 1.00 0.00 C ATOM 517 CG2 ILE A 30 -0.534 40.673 2.912 1.00 0.00 C ATOM 518 CD1 ILE A 30 0.396 37.857 2.566 1.00 0.00 C ATOM 0 H ILE A 30 1.586 39.575 1.227 1.00 0.00 H new ATOM 0 HA ILE A 30 1.808 41.975 2.634 1.00 0.00 H new ATOM 0 HB ILE A 30 0.835 40.676 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.960 38.448 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.368 38.412 4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.359 40.221 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.637 41.758 2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.552 40.324 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.526 36.800 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.662 38.066 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.955 38.103 1.663 1.00 0.00 H new ATOM 530 N GLU A 31 4.039 39.675 3.459 1.00 0.00 N ATOM 531 CA GLU A 31 5.306 39.420 4.175 1.00 0.00 C ATOM 532 C GLU A 31 6.513 39.712 3.259 1.00 0.00 C ATOM 533 O GLU A 31 7.602 40.041 3.745 1.00 0.00 O ATOM 534 CB GLU A 31 5.368 37.954 4.691 1.00 0.00 C ATOM 535 CG GLU A 31 5.307 36.875 3.591 1.00 0.00 C ATOM 536 CD GLU A 31 5.663 35.471 4.096 1.00 0.00 C ATOM 537 OE1 GLU A 31 4.747 34.734 4.534 1.00 0.00 O ATOM 538 OE2 GLU A 31 6.866 35.110 4.070 1.00 0.00 O ATOM 0 H GLU A 31 3.773 38.929 2.816 1.00 0.00 H new ATOM 0 HA GLU A 31 5.347 40.089 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.290 37.822 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.542 37.793 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.304 36.857 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.990 37.148 2.786 1.00 0.00 H new ATOM 545 N ALA A 32 6.302 39.584 1.935 1.00 0.00 N ATOM 546 CA ALA A 32 7.362 39.678 0.918 1.00 0.00 C ATOM 547 C ALA A 32 7.003 40.738 -0.127 1.00 0.00 C ATOM 548 O ALA A 32 6.298 40.453 -1.106 1.00 0.00 O ATOM 549 CB ALA A 32 7.587 38.314 0.245 1.00 0.00 C ATOM 0 H ALA A 32 5.378 39.410 1.539 1.00 0.00 H new ATOM 0 HA ALA A 32 8.288 39.975 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.374 38.403 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.882 37.582 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.664 37.989 -0.236 1.00 0.00 H new ATOM 555 N ASP A 33 7.459 41.970 0.116 1.00 0.00 N ATOM 556 CA ASP A 33 7.394 43.054 -0.882 1.00 0.00 C ATOM 557 C ASP A 33 8.399 42.741 -2.010 1.00 0.00 C ATOM 558 O ASP A 33 9.524 42.307 -1.726 1.00 0.00 O ATOM 559 CB ASP A 33 7.681 44.433 -0.215 1.00 0.00 C ATOM 560 CG ASP A 33 7.583 45.620 -1.192 1.00 0.00 C ATOM 561 OD1 ASP A 33 6.467 45.899 -1.688 1.00 0.00 O ATOM 562 OD2 ASP A 33 8.610 46.277 -1.472 1.00 0.00 O ATOM 0 H ASP A 33 7.882 42.248 1.002 1.00 0.00 H new ATOM 0 HA ASP A 33 6.392 43.114 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.976 44.586 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.679 44.415 0.224 1.00 0.00 H new ATOM 567 N PHE A 34 7.956 42.897 -3.277 1.00 0.00 N ATOM 568 CA PHE A 34 8.780 42.616 -4.471 1.00 0.00 C ATOM 569 C PHE A 34 9.958 43.607 -4.554 1.00 0.00 C ATOM 570 O PHE A 34 9.861 44.672 -5.171 1.00 0.00 O ATOM 571 CB PHE A 34 7.926 42.684 -5.765 1.00 0.00 C ATOM 572 CG PHE A 34 6.727 41.738 -5.790 1.00 0.00 C ATOM 573 CD1 PHE A 34 5.509 42.102 -5.202 1.00 0.00 C ATOM 574 CD2 PHE A 34 6.814 40.491 -6.407 1.00 0.00 C ATOM 575 CE1 PHE A 34 4.425 41.250 -5.234 1.00 0.00 C ATOM 576 CE2 PHE A 34 5.725 39.644 -6.439 1.00 0.00 C ATOM 577 CZ PHE A 34 4.534 40.024 -5.852 1.00 0.00 C ATOM 0 H PHE A 34 7.015 43.222 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 34 9.176 41.605 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.568 43.705 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.566 42.460 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.417 43.063 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.743 40.185 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.492 41.544 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.804 38.682 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.685 39.357 -5.878 1.00 0.00 H new ATOM 587 N GLU A 35 11.037 43.266 -3.853 1.00 0.00 N ATOM 588 CA GLU A 35 12.273 44.062 -3.809 1.00 0.00 C ATOM 589 C GLU A 35 13.332 43.449 -4.736 1.00 0.00 C ATOM 590 O GLU A 35 14.318 44.109 -5.101 1.00 0.00 O ATOM 591 CB GLU A 35 12.769 44.125 -2.347 1.00 0.00 C ATOM 592 CG GLU A 35 11.788 44.845 -1.395 1.00 0.00 C ATOM 593 CD GLU A 35 12.139 44.672 0.087 1.00 0.00 C ATOM 594 OE1 GLU A 35 12.960 45.452 0.614 1.00 0.00 O ATOM 595 OE2 GLU A 35 11.596 43.755 0.736 1.00 0.00 O ATOM 0 H GLU A 35 11.083 42.417 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 35 12.081 45.076 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.937 43.111 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.731 44.637 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.774 45.908 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.781 44.466 -1.569 1.00 0.00 H new ATOM 602 N GLU A 36 13.099 42.184 -5.115 1.00 0.00 N ATOM 603 CA GLU A 36 13.968 41.432 -6.024 1.00 0.00 C ATOM 604 C GLU A 36 13.777 41.949 -7.471 1.00 0.00 C ATOM 605 O GLU A 36 12.639 42.224 -7.872 1.00 0.00 O ATOM 606 CB GLU A 36 13.658 39.899 -5.957 1.00 0.00 C ATOM 607 CG GLU A 36 13.716 39.252 -4.550 1.00 0.00 C ATOM 608 CD GLU A 36 12.423 39.425 -3.713 1.00 0.00 C ATOM 609 OE1 GLU A 36 12.304 40.422 -2.972 1.00 0.00 O ATOM 610 OE2 GLU A 36 11.528 38.552 -3.791 1.00 0.00 O ATOM 0 H GLU A 36 12.291 41.650 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 36 15.003 41.582 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.663 39.732 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.364 39.378 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.923 38.188 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.552 39.683 -3.999 1.00 0.00 H new ATOM 617 N PRO A 37 14.886 42.112 -8.273 1.00 0.00 N ATOM 618 CA PRO A 37 14.799 42.501 -9.705 1.00 0.00 C ATOM 619 C PRO A 37 14.021 41.468 -10.552 1.00 0.00 C ATOM 620 O PRO A 37 13.865 40.308 -10.146 1.00 0.00 O ATOM 621 CB PRO A 37 16.287 42.578 -10.162 1.00 0.00 C ATOM 622 CG PRO A 37 17.060 42.750 -8.892 1.00 0.00 C ATOM 623 CD PRO A 37 16.303 41.956 -7.853 1.00 0.00 C ATOM 0 HA PRO A 37 14.257 43.437 -9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.587 41.673 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.451 43.414 -10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.081 42.383 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.127 43.801 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.608 40.910 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 37 16.470 42.344 -6.848 1.00 0.00 H new ATOM 631 N ARG A 38 13.545 41.907 -11.732 1.00 0.00 N ATOM 632 CA ARG A 38 12.863 41.033 -12.712 1.00 0.00 C ATOM 633 C ARG A 38 13.861 40.090 -13.408 1.00 0.00 C ATOM 634 O ARG A 38 13.461 39.088 -14.007 1.00 0.00 O ATOM 635 CB ARG A 38 12.090 41.888 -13.749 1.00 0.00 C ATOM 636 CG ARG A 38 10.910 42.690 -13.158 1.00 0.00 C ATOM 637 CD ARG A 38 9.804 41.784 -12.590 1.00 0.00 C ATOM 638 NE ARG A 38 9.205 40.920 -13.627 1.00 0.00 N ATOM 639 CZ ARG A 38 7.978 40.379 -13.574 1.00 0.00 C ATOM 640 NH1 ARG A 38 7.180 40.577 -12.527 1.00 0.00 N ATOM 641 NH2 ARG A 38 7.549 39.635 -14.580 1.00 0.00 N ATOM 0 H ARG A 38 13.621 42.878 -12.035 1.00 0.00 H new ATOM 0 HA ARG A 38 12.147 40.412 -12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.785 42.582 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.712 41.232 -14.533 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.280 43.344 -12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.488 43.331 -13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.218 41.162 -11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.026 42.401 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 38 9.770 40.718 -14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.498 41.149 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.251 40.156 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.150 39.476 -15.389 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.618 39.220 -14.547 1.00 0.00 H new ATOM 655 N ASN A 39 15.154 40.446 -13.339 1.00 0.00 N ATOM 656 CA ASN A 39 16.265 39.559 -13.734 1.00 0.00 C ATOM 657 C ASN A 39 16.390 38.395 -12.716 1.00 0.00 C ATOM 658 O ASN A 39 15.983 38.560 -11.559 1.00 0.00 O ATOM 659 CB ASN A 39 17.602 40.364 -13.796 1.00 0.00 C ATOM 660 CG ASN A 39 17.606 41.496 -14.834 1.00 0.00 C ATOM 661 OD1 ASN A 39 16.577 42.088 -15.140 1.00 0.00 O ATOM 662 ND2 ASN A 39 18.771 41.815 -15.379 1.00 0.00 N ATOM 0 H ASN A 39 15.461 41.360 -13.007 1.00 0.00 H new ATOM 0 HA ASN A 39 16.060 39.149 -14.723 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.804 40.787 -12.812 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.417 39.676 -14.021 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.823 42.566 -16.067 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.615 41.310 -15.110 1.00 0.00 H new ATOM 669 N PRO A 40 16.928 37.195 -13.123 1.00 0.00 N ATOM 670 CA PRO A 40 17.170 36.063 -12.188 1.00 0.00 C ATOM 671 C PRO A 40 18.281 36.392 -11.158 1.00 0.00 C ATOM 672 O PRO A 40 19.433 35.980 -11.295 1.00 0.00 O ATOM 673 CB PRO A 40 17.565 34.892 -13.129 1.00 0.00 C ATOM 674 CG PRO A 40 18.120 35.566 -14.348 1.00 0.00 C ATOM 675 CD PRO A 40 17.308 36.832 -14.516 1.00 0.00 C ATOM 0 HA PRO A 40 16.300 35.827 -11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.304 34.240 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.703 34.272 -13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.179 35.793 -14.223 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.033 34.925 -15.225 1.00 0.00 H new ATOM 0 HD2 PRO A 40 17.891 37.621 -14.991 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.430 36.665 -15.140 1.00 0.00 H new ATOM 683 N ASP A 41 17.900 37.175 -10.139 1.00 0.00 N ATOM 684 CA ASP A 41 18.806 37.655 -9.071 1.00 0.00 C ATOM 685 C ASP A 41 18.427 36.945 -7.753 1.00 0.00 C ATOM 686 O ASP A 41 18.493 37.513 -6.653 1.00 0.00 O ATOM 687 CB ASP A 41 18.697 39.209 -8.979 1.00 0.00 C ATOM 688 CG ASP A 41 19.775 39.866 -8.087 1.00 0.00 C ATOM 689 OD1 ASP A 41 20.944 39.965 -8.527 1.00 0.00 O ATOM 690 OD2 ASP A 41 19.461 40.301 -6.951 1.00 0.00 O ATOM 0 H ASP A 41 16.940 37.501 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 41 19.848 37.417 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.767 39.627 -9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.712 39.471 -8.593 1.00 0.00 H new ATOM 695 N ASP A 42 18.022 35.665 -7.900 1.00 0.00 N ATOM 696 CA ASP A 42 17.637 34.789 -6.786 1.00 0.00 C ATOM 697 C ASP A 42 18.904 34.325 -6.048 1.00 0.00 C ATOM 698 O ASP A 42 19.446 33.238 -6.301 1.00 0.00 O ATOM 699 CB ASP A 42 16.806 33.583 -7.313 1.00 0.00 C ATOM 700 CG ASP A 42 15.560 34.014 -8.108 1.00 0.00 C ATOM 701 OD1 ASP A 42 15.697 34.355 -9.310 1.00 0.00 O ATOM 702 OD2 ASP A 42 14.438 34.014 -7.547 1.00 0.00 O ATOM 0 H ASP A 42 17.954 35.210 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 42 17.008 35.336 -6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.439 32.962 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.497 32.965 -6.470 1.00 0.00 H new ATOM 707 N GLU A 43 19.412 35.217 -5.189 1.00 0.00 N ATOM 708 CA GLU A 43 20.626 34.989 -4.402 1.00 0.00 C ATOM 709 C GLU A 43 20.293 34.176 -3.154 1.00 0.00 C ATOM 710 O GLU A 43 20.921 33.142 -2.880 1.00 0.00 O ATOM 711 CB GLU A 43 21.273 36.345 -4.031 1.00 0.00 C ATOM 712 CG GLU A 43 21.772 37.159 -5.240 1.00 0.00 C ATOM 713 CD GLU A 43 22.807 36.392 -6.076 1.00 0.00 C ATOM 714 OE1 GLU A 43 23.925 36.142 -5.564 1.00 0.00 O ATOM 715 OE2 GLU A 43 22.517 36.024 -7.237 1.00 0.00 O ATOM 0 H GLU A 43 18.985 36.128 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 43 21.343 34.420 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.547 36.942 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.112 36.163 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.924 37.424 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 43 22.212 38.092 -4.889 1.00 0.00 H new ATOM 722 N ASP A 44 19.285 34.660 -2.421 1.00 0.00 N ATOM 723 CA ASP A 44 18.750 33.987 -1.233 1.00 0.00 C ATOM 724 C ASP A 44 17.384 34.588 -0.873 1.00 0.00 C ATOM 725 O ASP A 44 17.256 35.806 -0.684 1.00 0.00 O ATOM 726 CB ASP A 44 19.729 34.093 -0.025 1.00 0.00 C ATOM 727 CG ASP A 44 19.187 33.440 1.263 1.00 0.00 C ATOM 728 OD1 ASP A 44 18.789 32.254 1.215 1.00 0.00 O ATOM 729 OD2 ASP A 44 19.157 34.100 2.324 1.00 0.00 O ATOM 0 H ASP A 44 18.813 35.538 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 44 18.631 32.928 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 44 20.675 33.622 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.940 35.144 0.171 1.00 0.00 H new ATOM 734 N ARG A 45 16.368 33.721 -0.810 1.00 0.00 N ATOM 735 CA ARG A 45 15.010 34.068 -0.383 1.00 0.00 C ATOM 736 C ARG A 45 14.540 32.931 0.536 1.00 0.00 C ATOM 737 O ARG A 45 14.186 31.843 0.057 1.00 0.00 O ATOM 738 CB ARG A 45 14.077 34.258 -1.625 1.00 0.00 C ATOM 739 CG ARG A 45 12.829 35.149 -1.384 1.00 0.00 C ATOM 740 CD ARG A 45 13.203 36.578 -0.916 1.00 0.00 C ATOM 741 NE ARG A 45 12.068 37.521 -1.028 1.00 0.00 N ATOM 742 CZ ARG A 45 11.793 38.519 -0.174 1.00 0.00 C ATOM 743 NH1 ARG A 45 12.426 38.621 0.992 1.00 0.00 N ATOM 744 NH2 ARG A 45 10.853 39.399 -0.488 1.00 0.00 N ATOM 0 H ARG A 45 16.470 32.737 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 45 14.983 35.015 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.662 34.692 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.743 33.277 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.248 35.212 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.191 34.680 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.541 36.542 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.038 36.946 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 45 11.440 37.402 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.134 37.933 1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.203 39.387 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.348 39.313 -1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.634 40.162 0.152 1.00 0.00 H new ATOM 758 N ALA A 46 14.600 33.193 1.858 1.00 0.00 N ATOM 759 CA ALA A 46 14.483 32.167 2.920 1.00 0.00 C ATOM 760 C ALA A 46 13.187 31.337 2.844 1.00 0.00 C ATOM 761 O ALA A 46 13.195 30.159 3.228 1.00 0.00 O ATOM 762 CB ALA A 46 14.595 32.831 4.308 1.00 0.00 C ATOM 0 H ALA A 46 14.733 34.135 2.225 1.00 0.00 H new ATOM 0 HA ALA A 46 15.306 31.470 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.508 32.070 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.560 33.330 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.796 33.563 4.427 1.00 0.00 H new ATOM 768 N SER A 47 12.092 31.976 2.347 1.00 0.00 N ATOM 769 CA SER A 47 10.709 31.424 2.335 1.00 0.00 C ATOM 770 C SER A 47 10.321 30.846 3.718 1.00 0.00 C ATOM 771 O SER A 47 9.592 29.850 3.827 1.00 0.00 O ATOM 772 CB SER A 47 10.512 30.404 1.165 1.00 0.00 C ATOM 773 OG SER A 47 11.404 29.304 1.231 1.00 0.00 O ATOM 0 H SER A 47 12.148 32.908 1.936 1.00 0.00 H new ATOM 0 HA SER A 47 10.017 32.244 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.487 30.034 1.182 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.650 30.919 0.214 1.00 0.00 H new ATOM 0 HG SER A 47 11.993 29.407 2.007 1.00 0.00 H new ATOM 779 N GLU A 48 10.803 31.549 4.774 1.00 0.00 N ATOM 780 CA GLU A 48 10.631 31.157 6.190 1.00 0.00 C ATOM 781 C GLU A 48 9.158 31.290 6.619 1.00 0.00 C ATOM 782 O GLU A 48 8.729 30.634 7.576 1.00 0.00 O ATOM 783 CB GLU A 48 11.560 32.028 7.093 1.00 0.00 C ATOM 784 CG GLU A 48 11.562 31.635 8.592 1.00 0.00 C ATOM 785 CD GLU A 48 12.547 32.459 9.434 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.769 32.210 9.333 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.117 33.345 10.206 1.00 0.00 O ATOM 0 H GLU A 48 11.329 32.416 4.661 1.00 0.00 H new ATOM 0 HA GLU A 48 10.913 30.110 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.579 31.961 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.255 33.071 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.557 31.760 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.812 30.578 8.683 1.00 0.00 H new ATOM 794 N ARG A 49 8.410 32.140 5.876 1.00 0.00 N ATOM 795 CA ARG A 49 6.965 32.400 6.059 1.00 0.00 C ATOM 796 C ARG A 49 6.673 33.266 7.304 1.00 0.00 C ATOM 797 O ARG A 49 7.512 33.404 8.202 1.00 0.00 O ATOM 798 CB ARG A 49 6.135 31.079 6.083 1.00 0.00 C ATOM 799 CG ARG A 49 6.151 30.282 4.754 1.00 0.00 C ATOM 800 CD ARG A 49 5.661 28.829 4.920 1.00 0.00 C ATOM 801 NE ARG A 49 4.383 28.743 5.646 1.00 0.00 N ATOM 802 CZ ARG A 49 3.663 27.625 5.817 1.00 0.00 C ATOM 803 NH1 ARG A 49 4.009 26.479 5.233 1.00 0.00 N ATOM 804 NH2 ARG A 49 2.586 27.668 6.584 1.00 0.00 N ATOM 0 H ARG A 49 8.810 32.680 5.109 1.00 0.00 H new ATOM 0 HA ARG A 49 6.647 32.975 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.517 30.440 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.102 31.319 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.522 30.791 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.164 30.275 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.548 28.373 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.417 28.253 5.453 1.00 0.00 H new ATOM 0 HE ARG A 49 4.016 29.604 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.838 26.439 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.445 25.642 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.315 28.542 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.026 26.827 6.725 1.00 0.00 H new ATOM 818 N SER A 50 5.467 33.861 7.315 1.00 0.00 N ATOM 819 CA SER A 50 4.943 34.647 8.441 1.00 0.00 C ATOM 820 C SER A 50 3.470 34.227 8.667 1.00 0.00 C ATOM 821 O SER A 50 3.223 33.078 9.054 1.00 0.00 O ATOM 822 CB SER A 50 5.119 36.159 8.147 1.00 0.00 C ATOM 823 OG SER A 50 4.690 36.962 9.236 1.00 0.00 O ATOM 0 H SER A 50 4.820 33.807 6.528 1.00 0.00 H new ATOM 0 HA SER A 50 5.491 34.454 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.167 36.368 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.552 36.424 7.255 1.00 0.00 H new ATOM 0 HG SER A 50 4.818 37.908 9.015 1.00 0.00 H new ATOM 829 N ASN A 51 2.485 35.118 8.406 1.00 0.00 N ATOM 830 CA ASN A 51 1.065 34.733 8.428 1.00 0.00 C ATOM 831 C ASN A 51 0.728 33.967 7.140 1.00 0.00 C ATOM 832 O ASN A 51 0.843 34.521 6.040 1.00 0.00 O ATOM 833 CB ASN A 51 0.130 35.959 8.552 1.00 0.00 C ATOM 834 CG ASN A 51 -1.347 35.554 8.638 1.00 0.00 C ATOM 835 OD1 ASN A 51 -1.695 34.567 9.287 1.00 0.00 O ATOM 836 ND2 ASN A 51 -2.225 36.276 7.959 1.00 0.00 N ATOM 0 H ASN A 51 2.651 36.099 8.180 1.00 0.00 H new ATOM 0 HA ASN A 51 0.905 34.104 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.400 36.532 9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.276 36.614 7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.212 36.018 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.914 37.090 7.428 1.00 0.00 H new ATOM 843 N ASP A 52 0.307 32.702 7.293 1.00 0.00 N ATOM 844 CA ASP A 52 -0.050 31.827 6.167 1.00 0.00 C ATOM 845 C ASP A 52 -1.466 31.288 6.368 1.00 0.00 C ATOM 846 O ASP A 52 -1.678 30.238 6.988 1.00 0.00 O ATOM 847 CB ASP A 52 0.981 30.679 6.004 1.00 0.00 C ATOM 848 CG ASP A 52 0.701 29.773 4.785 1.00 0.00 C ATOM 849 OD1 ASP A 52 0.987 30.191 3.649 1.00 0.00 O ATOM 850 OD2 ASP A 52 0.182 28.651 4.961 1.00 0.00 O ATOM 0 H ASP A 52 0.204 32.256 8.205 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.028 32.406 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.979 31.107 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.982 30.070 6.908 1.00 0.00 H new ATOM 855 N GLU A 53 -2.435 32.078 5.904 1.00 0.00 N ATOM 856 CA GLU A 53 -3.864 31.711 5.881 1.00 0.00 C ATOM 857 C GLU A 53 -4.371 31.709 4.424 1.00 0.00 C ATOM 858 O GLU A 53 -3.557 31.794 3.489 1.00 0.00 O ATOM 859 CB GLU A 53 -4.671 32.700 6.768 1.00 0.00 C ATOM 860 CG GLU A 53 -4.198 32.752 8.237 1.00 0.00 C ATOM 861 CD GLU A 53 -5.042 33.681 9.127 1.00 0.00 C ATOM 862 OE1 GLU A 53 -4.824 34.914 9.099 1.00 0.00 O ATOM 863 OE2 GLU A 53 -5.931 33.183 9.859 1.00 0.00 O ATOM 0 H GLU A 53 -2.253 33.008 5.526 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.001 30.709 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.600 33.699 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.723 32.417 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.222 31.745 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.160 33.083 8.263 1.00 0.00 H new ATOM 870 N VAL A 54 -5.708 31.589 4.244 1.00 0.00 N ATOM 871 CA VAL A 54 -6.362 31.655 2.917 1.00 0.00 C ATOM 872 C VAL A 54 -6.032 32.997 2.231 1.00 0.00 C ATOM 873 O VAL A 54 -5.462 33.006 1.154 1.00 0.00 O ATOM 874 CB VAL A 54 -7.928 31.474 3.032 1.00 0.00 C ATOM 875 CG1 VAL A 54 -8.637 31.656 1.662 1.00 0.00 C ATOM 876 CG2 VAL A 54 -8.281 30.103 3.660 1.00 0.00 C ATOM 0 H VAL A 54 -6.362 31.444 5.014 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.975 30.835 2.312 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.296 32.259 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.712 31.523 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.438 32.657 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.260 30.916 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.364 30.002 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.881 29.303 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.847 30.037 4.658 1.00 0.00 H new ATOM 886 N LEU A 55 -6.415 34.102 2.905 1.00 0.00 N ATOM 887 CA LEU A 55 -6.081 35.502 2.539 1.00 0.00 C ATOM 888 C LEU A 55 -6.554 35.918 1.127 1.00 0.00 C ATOM 889 O LEU A 55 -6.173 35.317 0.121 1.00 0.00 O ATOM 890 CB LEU A 55 -4.560 35.776 2.708 1.00 0.00 C ATOM 891 CG LEU A 55 -4.000 35.690 4.162 1.00 0.00 C ATOM 892 CD1 LEU A 55 -2.459 35.792 4.178 1.00 0.00 C ATOM 893 CD2 LEU A 55 -4.634 36.767 5.078 1.00 0.00 C ATOM 0 H LEU A 55 -6.985 34.046 3.749 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.641 36.124 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.013 35.065 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.346 36.771 2.317 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.275 34.712 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.101 35.729 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.034 34.975 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.153 36.744 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.222 36.678 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.413 37.758 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.714 36.623 5.115 1.00 0.00 H new ATOM 905 N ASP A 56 -7.339 37.009 1.070 1.00 0.00 N ATOM 906 CA ASP A 56 -7.769 37.640 -0.205 1.00 0.00 C ATOM 907 C ASP A 56 -6.557 38.216 -0.964 1.00 0.00 C ATOM 908 O ASP A 56 -6.617 38.456 -2.175 1.00 0.00 O ATOM 909 CB ASP A 56 -8.799 38.769 0.053 1.00 0.00 C ATOM 910 CG ASP A 56 -10.079 38.282 0.747 1.00 0.00 C ATOM 911 OD1 ASP A 56 -10.124 38.267 1.993 1.00 0.00 O ATOM 912 OD2 ASP A 56 -11.048 37.902 0.053 1.00 0.00 O ATOM 0 H ASP A 56 -7.696 37.482 1.900 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.238 36.866 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.334 39.541 0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.064 39.233 -0.897 1.00 0.00 H new ATOM 917 N GLU A 57 -5.467 38.436 -0.201 1.00 0.00 N ATOM 918 CA GLU A 57 -4.165 38.905 -0.703 1.00 0.00 C ATOM 919 C GLU A 57 -3.530 37.871 -1.653 1.00 0.00 C ATOM 920 O GLU A 57 -2.785 38.234 -2.571 1.00 0.00 O ATOM 921 CB GLU A 57 -3.214 39.174 0.502 1.00 0.00 C ATOM 922 CG GLU A 57 -3.842 39.993 1.652 1.00 0.00 C ATOM 923 CD GLU A 57 -4.479 41.320 1.199 1.00 0.00 C ATOM 924 OE1 GLU A 57 -3.738 42.271 0.879 1.00 0.00 O ATOM 925 OE2 GLU A 57 -5.726 41.421 1.184 1.00 0.00 O ATOM 0 H GLU A 57 -5.471 38.288 0.808 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.320 39.826 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.874 38.218 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.331 39.701 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.602 39.386 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.073 40.206 2.395 1.00 0.00 H new ATOM 932 N LEU A 58 -3.829 36.577 -1.413 1.00 0.00 N ATOM 933 CA LEU A 58 -3.310 35.486 -2.248 1.00 0.00 C ATOM 934 C LEU A 58 -4.166 35.352 -3.520 1.00 0.00 C ATOM 935 O LEU A 58 -5.392 35.514 -3.459 1.00 0.00 O ATOM 936 CB LEU A 58 -3.262 34.125 -1.489 1.00 0.00 C ATOM 937 CG LEU A 58 -2.671 34.089 -0.034 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.355 32.639 0.406 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.448 35.005 0.165 1.00 0.00 C ATOM 0 H LEU A 58 -4.427 36.268 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.284 35.739 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.280 33.738 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.684 33.429 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.453 34.491 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.947 32.646 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.269 32.046 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.625 32.203 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.097 34.925 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.652 34.701 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.729 36.037 -0.044 1.00 0.00 H new ATOM 951 N GLY A 59 -3.511 35.070 -4.665 1.00 0.00 N ATOM 952 CA GLY A 59 -4.212 34.871 -5.938 1.00 0.00 C ATOM 953 C GLY A 59 -4.787 33.463 -6.061 1.00 0.00 C ATOM 954 O GLY A 59 -4.137 32.509 -5.639 1.00 0.00 O ATOM 0 H GLY A 59 -2.497 34.976 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.017 35.600 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.524 35.055 -6.763 1.00 0.00 H new ATOM 958 N GLN A 60 -5.986 33.344 -6.670 1.00 0.00 N ATOM 959 CA GLN A 60 -6.748 32.074 -6.780 1.00 0.00 C ATOM 960 C GLN A 60 -5.915 30.955 -7.439 1.00 0.00 C ATOM 961 O GLN A 60 -5.744 29.881 -6.859 1.00 0.00 O ATOM 962 CB GLN A 60 -8.045 32.302 -7.608 1.00 0.00 C ATOM 963 CG GLN A 60 -8.966 33.407 -7.071 1.00 0.00 C ATOM 964 CD GLN A 60 -10.149 33.696 -7.994 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.069 34.543 -8.887 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.252 32.998 -7.788 1.00 0.00 N ATOM 0 H GLN A 60 -6.461 34.135 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.999 31.758 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.767 32.547 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.605 31.368 -7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.340 33.116 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.387 34.320 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.285 32.305 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.071 33.152 -8.377 1.00 0.00 H new ATOM 975 N VAL A 61 -5.390 31.251 -8.650 1.00 0.00 N ATOM 976 CA VAL A 61 -4.530 30.325 -9.421 1.00 0.00 C ATOM 977 C VAL A 61 -3.338 29.828 -8.579 1.00 0.00 C ATOM 978 O VAL A 61 -3.019 28.638 -8.593 1.00 0.00 O ATOM 979 CB VAL A 61 -4.029 30.993 -10.768 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.377 32.376 -10.524 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.076 30.054 -11.554 1.00 0.00 C ATOM 0 H VAL A 61 -5.552 32.141 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.138 29.458 -9.681 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.913 31.157 -11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.049 32.796 -11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.104 33.045 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.519 32.262 -9.862 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.754 30.547 -12.471 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.205 29.824 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.599 29.131 -11.803 1.00 0.00 H new ATOM 991 N GLY A 62 -2.741 30.751 -7.810 1.00 0.00 N ATOM 992 CA GLY A 62 -1.605 30.439 -6.958 1.00 0.00 C ATOM 993 C GLY A 62 -1.965 29.521 -5.796 1.00 0.00 C ATOM 994 O GLY A 62 -1.223 28.606 -5.498 1.00 0.00 O ATOM 0 H GLY A 62 -3.037 31.726 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.827 29.968 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.187 31.366 -6.565 1.00 0.00 H new ATOM 998 N GLN A 63 -3.124 29.767 -5.158 1.00 0.00 N ATOM 999 CA GLN A 63 -3.591 28.981 -3.990 1.00 0.00 C ATOM 1000 C GLN A 63 -3.921 27.535 -4.395 1.00 0.00 C ATOM 1001 O GLN A 63 -3.523 26.590 -3.715 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.843 29.642 -3.372 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.604 31.038 -2.785 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.890 31.711 -2.317 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.563 32.397 -3.088 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.240 31.523 -1.051 1.00 0.00 N ATOM 0 H GLN A 63 -3.764 30.512 -5.432 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.787 28.961 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.616 29.712 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.230 28.993 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.914 30.961 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.124 31.665 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.658 30.949 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.091 31.953 -0.688 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.660 27.398 -5.511 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.050 26.091 -6.086 1.00 0.00 C ATOM 1017 C ASP A 64 -3.813 25.297 -6.529 1.00 0.00 C ATOM 1018 O ASP A 64 -3.765 24.066 -6.380 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.013 26.293 -7.294 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.448 26.676 -6.885 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.666 27.802 -6.395 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.378 25.853 -7.068 1.00 0.00 O ATOM 0 H ASP A 64 -5.007 28.195 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.567 25.523 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.610 27.071 -7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.045 25.374 -7.880 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.819 26.029 -7.069 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.566 25.441 -7.565 1.00 0.00 C ATOM 1029 C GLU A 65 -0.705 24.959 -6.387 1.00 0.00 C ATOM 1030 O GLU A 65 -0.188 23.848 -6.405 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.780 26.461 -8.449 1.00 0.00 C ATOM 1032 CG GLU A 65 0.101 25.816 -9.537 1.00 0.00 C ATOM 1033 CD GLU A 65 -0.717 25.199 -10.697 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -1.393 24.158 -10.497 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -0.699 25.761 -11.812 1.00 0.00 O ATOM 0 H GLU A 65 -2.865 27.043 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.811 24.582 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.493 27.133 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.149 27.072 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.779 26.568 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.718 25.040 -9.083 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.609 25.820 -5.355 1.00 0.00 N ATOM 1043 CA LEU A 66 0.112 25.539 -4.088 1.00 0.00 C ATOM 1044 C LEU A 66 -0.521 24.349 -3.348 1.00 0.00 C ATOM 1045 O LEU A 66 0.177 23.611 -2.664 1.00 0.00 O ATOM 1046 CB LEU A 66 0.116 26.808 -3.166 1.00 0.00 C ATOM 1047 CG LEU A 66 1.367 27.750 -3.249 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.758 28.078 -4.704 1.00 0.00 C ATOM 1049 CD2 LEU A 66 1.127 29.048 -2.434 1.00 0.00 C ATOM 0 H LEU A 66 -1.035 26.746 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 66 1.142 25.281 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.769 27.400 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.011 26.476 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 66 2.207 27.211 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.629 28.733 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.995 27.155 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.926 28.578 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.006 29.689 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.261 29.575 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.945 28.794 -1.390 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.852 24.213 -3.480 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.622 23.098 -2.897 1.00 0.00 C ATOM 1063 C ARG A 67 -2.262 21.777 -3.596 1.00 0.00 C ATOM 1064 O ARG A 67 -2.083 20.749 -2.944 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.141 23.376 -3.032 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.065 22.289 -2.445 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.548 22.604 -2.667 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.430 21.602 -2.051 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.735 21.448 -2.328 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.327 22.168 -3.277 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.450 20.567 -1.653 1.00 0.00 N ATOM 0 H ARG A 67 -2.428 24.877 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.370 23.012 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.365 24.323 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.378 23.500 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.828 21.328 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.873 22.190 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.774 23.587 -2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.750 22.654 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.019 20.975 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.789 22.852 -3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.319 22.036 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.011 20.006 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.441 20.448 -1.861 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.166 21.839 -4.933 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.816 20.686 -5.784 1.00 0.00 C ATOM 1087 C ALA A 68 -0.355 20.244 -5.555 1.00 0.00 C ATOM 1088 O ALA A 68 -0.053 19.044 -5.541 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.053 21.046 -7.258 1.00 0.00 C ATOM 0 H ALA A 68 -2.330 22.697 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.455 19.846 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.794 20.194 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.102 21.301 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.431 21.899 -7.529 1.00 0.00 H new ATOM 1095 N ILE A 69 0.529 21.243 -5.368 1.00 0.00 N ATOM 1096 CA ILE A 69 1.957 21.031 -5.071 1.00 0.00 C ATOM 1097 C ILE A 69 2.122 20.452 -3.652 1.00 0.00 C ATOM 1098 O ILE A 69 2.923 19.548 -3.443 1.00 0.00 O ATOM 1099 CB ILE A 69 2.770 22.382 -5.222 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.774 22.866 -6.716 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.213 22.246 -4.684 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.372 24.247 -6.962 1.00 0.00 C ATOM 0 H ILE A 69 0.269 22.228 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 69 2.358 20.316 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 69 2.266 23.136 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.326 22.140 -7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.747 22.864 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.738 23.194 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.184 21.980 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.737 21.468 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.324 24.480 -8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.809 24.993 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.412 24.257 -6.635 1.00 0.00 H new ATOM 1114 N ASP A 70 1.339 20.988 -2.701 1.00 0.00 N ATOM 1115 CA ASP A 70 1.329 20.532 -1.293 1.00 0.00 C ATOM 1116 C ASP A 70 0.843 19.079 -1.195 1.00 0.00 C ATOM 1117 O ASP A 70 1.363 18.297 -0.404 1.00 0.00 O ATOM 1118 CB ASP A 70 0.420 21.460 -0.444 1.00 0.00 C ATOM 1119 CG ASP A 70 0.252 21.017 1.022 1.00 0.00 C ATOM 1120 OD1 ASP A 70 1.207 21.182 1.811 1.00 0.00 O ATOM 1121 OD2 ASP A 70 -0.834 20.506 1.384 1.00 0.00 O ATOM 0 H ASP A 70 0.691 21.754 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 70 2.347 20.578 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.834 22.468 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.564 21.511 -0.911 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.157 18.751 -2.026 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.736 17.401 -2.120 1.00 0.00 C ATOM 1128 C ALA A 71 0.311 16.395 -2.625 1.00 0.00 C ATOM 1129 O ALA A 71 0.431 15.279 -2.103 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.952 17.437 -3.050 1.00 0.00 C ATOM 0 H ALA A 71 -0.592 19.422 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.054 17.076 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.384 16.439 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.696 18.126 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.643 17.771 -4.040 1.00 0.00 H new ATOM 1136 N ALA A 72 1.069 16.831 -3.640 1.00 0.00 N ATOM 1137 CA ALA A 72 2.138 16.040 -4.258 1.00 0.00 C ATOM 1138 C ALA A 72 3.295 15.796 -3.264 1.00 0.00 C ATOM 1139 O ALA A 72 3.687 14.651 -3.045 1.00 0.00 O ATOM 1140 CB ALA A 72 2.627 16.755 -5.521 1.00 0.00 C ATOM 0 H ALA A 72 0.955 17.754 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 72 1.747 15.061 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.422 16.171 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.799 16.862 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.008 17.741 -5.256 1.00 0.00 H new ATOM 1146 N LEU A 73 3.787 16.890 -2.644 1.00 0.00 N ATOM 1147 CA LEU A 73 4.908 16.870 -1.668 1.00 0.00 C ATOM 1148 C LEU A 73 4.563 16.046 -0.415 1.00 0.00 C ATOM 1149 O LEU A 73 5.429 15.367 0.142 1.00 0.00 O ATOM 1150 CB LEU A 73 5.295 18.319 -1.259 1.00 0.00 C ATOM 1151 CG LEU A 73 5.998 19.173 -2.361 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.221 20.624 -1.886 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.328 18.526 -2.808 1.00 0.00 C ATOM 0 H LEU A 73 3.415 17.826 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 73 5.757 16.393 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.391 18.841 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.953 18.268 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 73 5.335 19.203 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.712 21.194 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.260 21.082 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.849 20.623 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.793 19.144 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.998 18.444 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.132 17.533 -3.212 1.00 0.00 H new ATOM 1165 N ALA A 74 3.290 16.130 0.012 1.00 0.00 N ATOM 1166 CA ALA A 74 2.757 15.344 1.141 1.00 0.00 C ATOM 1167 C ALA A 74 2.867 13.844 0.842 1.00 0.00 C ATOM 1168 O ALA A 74 3.287 13.058 1.696 1.00 0.00 O ATOM 1169 CB ALA A 74 1.293 15.723 1.431 1.00 0.00 C ATOM 0 H ALA A 74 2.600 16.746 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 74 3.351 15.572 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.922 15.130 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.234 16.782 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.684 15.526 0.549 1.00 0.00 H new ATOM 1175 N ARG A 75 2.503 13.479 -0.398 1.00 0.00 N ATOM 1176 CA ARG A 75 2.552 12.087 -0.873 1.00 0.00 C ATOM 1177 C ARG A 75 3.995 11.609 -1.134 1.00 0.00 C ATOM 1178 O ARG A 75 4.252 10.415 -1.052 1.00 0.00 O ATOM 1179 CB ARG A 75 1.661 11.919 -2.132 1.00 0.00 C ATOM 1180 CG ARG A 75 0.151 12.076 -1.842 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.733 11.929 -3.092 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.170 11.984 -2.740 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.976 13.060 -2.864 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.525 14.203 -3.367 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.241 12.987 -2.467 1.00 0.00 N ATOM 0 H ARG A 75 2.167 14.140 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 75 2.157 11.451 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.958 12.655 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.840 10.935 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.149 11.331 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.025 13.055 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.499 12.723 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.513 10.983 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.589 11.131 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.553 14.280 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.150 15.004 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.602 12.120 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.852 13.798 -2.559 1.00 0.00 H new ATOM 1199 N ILE A 76 4.931 12.529 -1.442 1.00 0.00 N ATOM 1200 CA ILE A 76 6.368 12.170 -1.593 1.00 0.00 C ATOM 1201 C ILE A 76 6.955 11.808 -0.218 1.00 0.00 C ATOM 1202 O ILE A 76 7.627 10.782 -0.063 1.00 0.00 O ATOM 1203 CB ILE A 76 7.223 13.324 -2.240 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.665 13.692 -3.646 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.720 12.922 -2.331 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.305 14.898 -4.313 1.00 0.00 C ATOM 0 H ILE A 76 4.728 13.517 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 76 6.415 11.316 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 76 7.150 14.203 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.786 12.830 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.594 13.875 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.289 13.736 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.104 12.721 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.820 12.027 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.842 15.064 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.161 15.779 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.372 14.717 -4.445 1.00 0.00 H new ATOM 1218 N ALA A 77 6.652 12.665 0.770 1.00 0.00 N ATOM 1219 CA ALA A 77 7.071 12.492 2.168 1.00 0.00 C ATOM 1220 C ALA A 77 6.461 11.208 2.770 1.00 0.00 C ATOM 1221 O ALA A 77 7.112 10.497 3.540 1.00 0.00 O ATOM 1222 CB ALA A 77 6.679 13.738 2.985 1.00 0.00 C ATOM 0 H ALA A 77 6.101 13.510 0.617 1.00 0.00 H new ATOM 0 HA ALA A 77 8.155 12.382 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.991 13.607 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.170 14.617 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.598 13.873 2.946 1.00 0.00 H new ATOM 1228 N SER A 78 5.212 10.914 2.371 1.00 0.00 N ATOM 1229 CA SER A 78 4.483 9.705 2.790 1.00 0.00 C ATOM 1230 C SER A 78 4.903 8.471 1.951 1.00 0.00 C ATOM 1231 O SER A 78 4.662 7.330 2.357 1.00 0.00 O ATOM 1232 CB SER A 78 2.963 9.957 2.684 1.00 0.00 C ATOM 1233 OG SER A 78 2.203 8.865 3.180 1.00 0.00 O ATOM 0 H SER A 78 4.676 11.513 1.744 1.00 0.00 H new ATOM 0 HA SER A 78 4.736 9.487 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.706 10.859 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.698 10.139 1.642 1.00 0.00 H new ATOM 0 HG SER A 78 1.248 9.066 3.096 1.00 0.00 H new ATOM 1239 N GLY A 79 5.535 8.720 0.784 1.00 0.00 N ATOM 1240 CA GLY A 79 6.025 7.656 -0.112 1.00 0.00 C ATOM 1241 C GLY A 79 4.945 7.063 -1.018 1.00 0.00 C ATOM 1242 O GLY A 79 5.172 6.045 -1.681 1.00 0.00 O ATOM 0 H GLY A 79 5.718 9.662 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.826 8.057 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.458 6.858 0.491 1.00 0.00 H new ATOM 1246 N THR A 80 3.772 7.711 -1.043 1.00 0.00 N ATOM 1247 CA THR A 80 2.607 7.297 -1.850 1.00 0.00 C ATOM 1248 C THR A 80 2.418 8.258 -3.053 1.00 0.00 C ATOM 1249 O THR A 80 1.326 8.349 -3.630 1.00 0.00 O ATOM 1250 CB THR A 80 1.324 7.244 -0.936 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.174 6.779 -1.670 1.00 0.00 O ATOM 1252 CG2 THR A 80 1.006 8.608 -0.293 1.00 0.00 C ATOM 0 H THR A 80 3.599 8.553 -0.494 1.00 0.00 H new ATOM 0 HA THR A 80 2.776 6.299 -2.254 1.00 0.00 H new ATOM 0 HB THR A 80 1.550 6.536 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.187 7.159 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.114 8.519 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.847 8.924 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.832 9.347 -1.075 1.00 0.00 H new ATOM 1260 N PHE A 81 3.502 8.976 -3.439 1.00 0.00 N ATOM 1261 CA PHE A 81 3.509 9.810 -4.650 1.00 0.00 C ATOM 1262 C PHE A 81 3.273 8.943 -5.897 1.00 0.00 C ATOM 1263 O PHE A 81 3.771 7.808 -5.985 1.00 0.00 O ATOM 1264 CB PHE A 81 4.835 10.596 -4.782 1.00 0.00 C ATOM 1265 CG PHE A 81 4.869 11.561 -5.979 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.175 12.772 -5.937 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.585 11.256 -7.139 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.197 13.641 -7.010 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.601 12.127 -8.208 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.912 13.320 -8.142 1.00 0.00 C ATOM 0 H PHE A 81 4.381 8.989 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 81 2.698 10.533 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.003 11.162 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.658 9.888 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.613 13.033 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.133 10.327 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.653 14.573 -6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.155 11.874 -9.100 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.933 14.003 -8.979 1.00 0.00 H new ATOM 1280 N GLY A 82 2.525 9.505 -6.850 1.00 0.00 N ATOM 1281 CA GLY A 82 2.122 8.789 -8.045 1.00 0.00 C ATOM 1282 C GLY A 82 0.897 7.919 -7.817 1.00 0.00 C ATOM 1283 O GLY A 82 0.657 6.992 -8.570 1.00 0.00 O ATOM 0 H GLY A 82 2.187 10.466 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.913 9.505 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.948 8.165 -8.387 1.00 0.00 H new ATOM 1287 N THR A 83 0.107 8.218 -6.765 1.00 0.00 N ATOM 1288 CA THR A 83 -1.163 7.523 -6.500 1.00 0.00 C ATOM 1289 C THR A 83 -2.343 8.500 -6.686 1.00 0.00 C ATOM 1290 O THR A 83 -2.509 9.462 -5.919 1.00 0.00 O ATOM 1291 CB THR A 83 -1.201 6.901 -5.065 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.023 6.104 -4.865 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.462 6.029 -4.851 1.00 0.00 C ATOM 0 H THR A 83 0.332 8.942 -6.083 1.00 0.00 H new ATOM 0 HA THR A 83 -1.249 6.704 -7.214 1.00 0.00 H new ATOM 0 HB THR A 83 -1.235 7.716 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.668 6.645 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.451 5.615 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.354 6.641 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.470 5.216 -5.577 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.115 8.256 -7.751 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.376 8.945 -8.036 1.00 0.00 C ATOM 1303 C CYS A 84 -5.466 8.453 -7.078 1.00 0.00 C ATOM 1304 O CYS A 84 -6.117 7.433 -7.336 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.805 8.693 -9.494 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.324 9.553 -9.988 1.00 0.00 S ATOM 0 H CYS A 84 -2.874 7.558 -8.454 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.231 10.016 -7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.996 9.001 -10.156 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.945 7.622 -9.639 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.633 9.185 -5.972 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.578 8.849 -4.885 1.00 0.00 C ATOM 1313 C VAL A 85 -8.057 8.876 -5.347 1.00 0.00 C ATOM 1314 O VAL A 85 -8.909 8.222 -4.741 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.374 9.819 -3.664 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.939 9.691 -3.094 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.698 11.288 -4.050 1.00 0.00 C ATOM 0 H VAL A 85 -5.110 10.043 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.357 7.826 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.074 9.525 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.821 10.371 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.770 8.667 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.216 9.945 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.547 11.933 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.039 11.605 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.735 11.358 -4.378 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.336 9.612 -6.445 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.703 9.760 -6.978 1.00 0.00 C ATOM 1329 C LYS A 86 -10.220 8.436 -7.598 1.00 0.00 C ATOM 1330 O LYS A 86 -11.427 8.215 -7.683 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.769 10.922 -8.005 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.210 11.388 -8.318 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.295 12.519 -9.367 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.732 13.038 -9.547 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.679 11.954 -9.933 1.00 0.00 N ATOM 0 H LYS A 86 -7.627 10.114 -6.980 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.360 10.005 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.197 11.767 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.289 10.606 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.787 10.534 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.679 11.728 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.648 13.343 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.920 12.154 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.069 13.498 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.742 13.816 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.611 12.365 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.320 11.464 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.768 11.275 -9.150 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.292 7.561 -8.031 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.639 6.198 -8.515 1.00 0.00 C ATOM 1351 C CYS A 87 -8.803 5.125 -7.784 1.00 0.00 C ATOM 1352 O CYS A 87 -8.813 3.957 -8.179 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.480 6.093 -10.054 1.00 0.00 C ATOM 1354 SG CYS A 87 -7.800 6.366 -10.694 1.00 0.00 S ATOM 0 H CYS A 87 -8.294 7.768 -8.058 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.688 6.014 -8.283 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.812 5.104 -10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.149 6.817 -10.520 1.00 0.00 H new ATOM 1359 N GLY A 88 -8.098 5.547 -6.700 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.306 4.652 -5.835 1.00 0.00 C ATOM 1361 C GLY A 88 -6.233 3.838 -6.560 1.00 0.00 C ATOM 1362 O GLY A 88 -5.866 2.756 -6.104 1.00 0.00 O ATOM 0 H GLY A 88 -8.068 6.523 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.826 5.250 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.985 3.964 -5.331 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.732 4.369 -7.688 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.776 3.671 -8.578 1.00 0.00 C ATOM 1368 C LYS A 89 -3.655 4.626 -9.005 1.00 0.00 C ATOM 1369 O LYS A 89 -3.621 5.765 -8.567 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.526 3.072 -9.809 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.324 1.774 -9.500 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.170 1.266 -10.694 1.00 0.00 C ATOM 1373 CE LYS A 89 -8.305 2.231 -11.064 1.00 0.00 C ATOM 1374 NZ LYS A 89 -9.180 1.689 -12.138 1.00 0.00 N ATOM 0 H LYS A 89 -5.979 5.303 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.317 2.845 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.212 3.822 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.801 2.861 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.627 0.991 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.982 1.956 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.522 1.123 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.592 0.292 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.906 2.438 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.880 3.180 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.931 2.375 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.614 1.516 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.608 0.796 -11.820 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.756 4.141 -9.869 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.516 4.839 -10.270 1.00 0.00 C ATOM 1390 C ARG A 90 -1.792 6.103 -11.131 1.00 0.00 C ATOM 1391 O ARG A 90 -2.841 6.220 -11.780 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.630 3.809 -11.042 1.00 0.00 C ATOM 1393 CG ARG A 90 0.821 4.235 -11.380 1.00 0.00 C ATOM 1394 CD ARG A 90 1.699 4.513 -10.145 1.00 0.00 C ATOM 1395 NE ARG A 90 1.631 3.436 -9.141 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.453 3.292 -8.089 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.504 4.089 -7.911 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.220 2.329 -7.215 1.00 0.00 N ATOM 0 H ARG A 90 -2.867 3.234 -10.322 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.002 5.203 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.584 2.894 -10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.135 3.562 -11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.289 3.451 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.790 5.131 -12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.734 4.643 -10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.386 5.451 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 90 0.895 2.739 -9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.701 4.831 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.112 3.958 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.423 1.705 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.837 2.209 -6.412 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.863 7.076 -11.052 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.762 8.203 -12.000 1.00 0.00 C ATOM 1414 C ILE A 91 0.218 7.789 -13.123 1.00 0.00 C ATOM 1415 O ILE A 91 1.200 7.088 -12.848 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.199 9.524 -11.327 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.984 9.950 -10.036 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.189 10.683 -12.354 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.183 10.851 -10.258 1.00 0.00 C ATOM 0 H ILE A 91 -0.154 7.102 -10.320 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.764 8.419 -12.371 1.00 0.00 H new ATOM 0 HB ILE A 91 0.819 9.300 -11.009 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.321 9.048 -9.525 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.292 10.457 -9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.199 11.585 -11.881 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.445 10.415 -13.199 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.204 10.866 -12.706 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.648 11.081 -9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.860 11.776 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.905 10.345 -10.899 1.00 0.00 H new ATOM 1431 N SER A 92 -0.032 8.238 -14.365 1.00 0.00 N ATOM 1432 CA SER A 92 0.882 7.977 -15.497 1.00 0.00 C ATOM 1433 C SER A 92 2.219 8.717 -15.295 1.00 0.00 C ATOM 1434 O SER A 92 2.243 9.820 -14.736 1.00 0.00 O ATOM 1435 CB SER A 92 0.226 8.399 -16.835 1.00 0.00 C ATOM 1436 OG SER A 92 -0.961 7.661 -17.072 1.00 0.00 O ATOM 0 H SER A 92 -0.858 8.783 -14.613 1.00 0.00 H new ATOM 0 HA SER A 92 1.083 6.906 -15.535 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.002 9.465 -16.812 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.927 8.240 -17.654 1.00 0.00 H new ATOM 0 HG SER A 92 -1.359 7.945 -17.921 1.00 0.00 H new ATOM 1442 N GLU A 93 3.324 8.095 -15.744 1.00 0.00 N ATOM 1443 CA GLU A 93 4.671 8.691 -15.677 1.00 0.00 C ATOM 1444 C GLU A 93 4.725 9.993 -16.502 1.00 0.00 C ATOM 1445 O GLU A 93 5.331 10.977 -16.078 1.00 0.00 O ATOM 1446 CB GLU A 93 5.733 7.684 -16.193 1.00 0.00 C ATOM 1447 CG GLU A 93 7.193 8.166 -16.042 1.00 0.00 C ATOM 1448 CD GLU A 93 8.219 7.216 -16.681 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.454 7.323 -17.905 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.783 6.355 -15.970 1.00 0.00 O ATOM 0 H GLU A 93 3.309 7.165 -16.163 1.00 0.00 H new ATOM 0 HA GLU A 93 4.892 8.929 -14.637 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.616 6.743 -15.655 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.538 7.476 -17.245 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.291 9.152 -16.495 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.423 8.278 -14.982 1.00 0.00 H new ATOM 1457 N ASP A 94 4.059 9.968 -17.679 1.00 0.00 N ATOM 1458 CA ASP A 94 3.960 11.128 -18.597 1.00 0.00 C ATOM 1459 C ASP A 94 3.171 12.276 -17.960 1.00 0.00 C ATOM 1460 O ASP A 94 3.490 13.457 -18.167 1.00 0.00 O ATOM 1461 CB ASP A 94 3.321 10.712 -19.944 1.00 0.00 C ATOM 1462 CG ASP A 94 4.130 9.617 -20.653 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.115 9.944 -21.351 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.818 8.422 -20.472 1.00 0.00 O ATOM 0 H ASP A 94 3.573 9.139 -18.021 1.00 0.00 H new ATOM 0 HA ASP A 94 4.972 11.483 -18.791 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.306 10.356 -19.769 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.245 11.584 -20.593 1.00 0.00 H new ATOM 1469 N ARG A 95 2.150 11.903 -17.176 1.00 0.00 N ATOM 1470 CA ARG A 95 1.329 12.850 -16.414 1.00 0.00 C ATOM 1471 C ARG A 95 2.196 13.572 -15.355 1.00 0.00 C ATOM 1472 O ARG A 95 2.126 14.788 -15.235 1.00 0.00 O ATOM 1473 CB ARG A 95 0.141 12.097 -15.747 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.887 12.974 -14.978 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.992 13.585 -15.855 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.479 14.574 -16.818 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.863 15.855 -16.895 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.809 16.342 -16.103 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -1.295 16.653 -17.786 1.00 0.00 N ATOM 0 H ARG A 95 1.870 10.930 -17.053 1.00 0.00 H new ATOM 0 HA ARG A 95 0.923 13.604 -17.089 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.392 11.545 -16.521 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.549 11.361 -15.054 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.352 12.368 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.353 13.781 -14.476 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.501 12.788 -16.397 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.735 14.060 -15.215 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.772 14.257 -17.482 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.261 15.737 -15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.085 17.321 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.571 16.291 -18.407 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.581 17.630 -17.852 1.00 0.00 H new ATOM 1493 N LEU A 96 3.053 12.801 -14.644 1.00 0.00 N ATOM 1494 CA LEU A 96 3.907 13.326 -13.548 1.00 0.00 C ATOM 1495 C LEU A 96 5.110 14.134 -14.073 1.00 0.00 C ATOM 1496 O LEU A 96 5.511 15.120 -13.455 1.00 0.00 O ATOM 1497 CB LEU A 96 4.412 12.171 -12.637 1.00 0.00 C ATOM 1498 CG LEU A 96 3.309 11.412 -11.840 1.00 0.00 C ATOM 1499 CD1 LEU A 96 3.875 10.190 -11.089 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.560 12.367 -10.875 1.00 0.00 C ATOM 0 H LEU A 96 3.173 11.802 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 96 3.280 14.002 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.948 11.452 -13.256 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.132 12.580 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 96 2.590 11.035 -12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.071 9.691 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.316 9.496 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.639 10.518 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.796 11.810 -10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.268 12.797 -10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.089 13.166 -11.447 1.00 0.00 H new ATOM 1512 N LYS A 97 5.695 13.707 -15.204 1.00 0.00 N ATOM 1513 CA LYS A 97 6.905 14.358 -15.758 1.00 0.00 C ATOM 1514 C LYS A 97 6.554 15.718 -16.379 1.00 0.00 C ATOM 1515 O LYS A 97 7.392 16.626 -16.417 1.00 0.00 O ATOM 1516 CB LYS A 97 7.635 13.444 -16.782 1.00 0.00 C ATOM 1517 CG LYS A 97 6.928 13.272 -18.145 1.00 0.00 C ATOM 1518 CD LYS A 97 7.660 12.281 -19.082 1.00 0.00 C ATOM 1519 CE LYS A 97 7.800 10.878 -18.480 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.515 9.940 -19.380 1.00 0.00 N ATOM 0 H LYS A 97 5.356 12.918 -15.754 1.00 0.00 H new ATOM 0 HA LYS A 97 7.595 14.528 -14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.631 13.849 -16.958 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.766 12.459 -16.334 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.909 12.922 -17.979 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.855 14.242 -18.636 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.117 12.213 -20.025 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.651 12.672 -19.312 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.334 10.945 -17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.809 10.481 -18.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.538 8.994 -18.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.021 9.891 -20.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.488 10.276 -19.530 1.00 0.00 H new ATOM 1534 N ALA A 98 5.308 15.828 -16.865 1.00 0.00 N ATOM 1535 CA ALA A 98 4.753 17.077 -17.396 1.00 0.00 C ATOM 1536 C ALA A 98 4.280 17.985 -16.243 1.00 0.00 C ATOM 1537 O ALA A 98 4.620 19.173 -16.182 1.00 0.00 O ATOM 1538 CB ALA A 98 3.606 16.749 -18.360 1.00 0.00 C ATOM 0 H ALA A 98 4.655 15.045 -16.900 1.00 0.00 H new ATOM 0 HA ALA A 98 5.523 17.620 -17.944 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.189 17.674 -18.758 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.983 16.139 -19.180 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.829 16.201 -17.828 1.00 0.00 H new ATOM 1544 N VAL A 99 3.510 17.389 -15.318 1.00 0.00 N ATOM 1545 CA VAL A 99 2.933 18.078 -14.152 1.00 0.00 C ATOM 1546 C VAL A 99 2.911 17.105 -12.939 1.00 0.00 C ATOM 1547 O VAL A 99 2.063 16.217 -12.857 1.00 0.00 O ATOM 1548 CB VAL A 99 1.491 18.659 -14.474 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.593 17.634 -15.197 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.794 19.201 -13.204 1.00 0.00 C ATOM 0 H VAL A 99 3.267 16.399 -15.360 1.00 0.00 H new ATOM 0 HA VAL A 99 3.558 18.935 -13.899 1.00 0.00 H new ATOM 0 HB VAL A 99 1.644 19.495 -15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.382 18.080 -15.395 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.057 17.344 -16.140 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.468 16.752 -14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.190 19.590 -13.467 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.684 18.396 -12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.396 20.000 -12.771 1.00 0.00 H new ATOM 1560 N PRO A 100 3.899 17.214 -11.992 1.00 0.00 N ATOM 1561 CA PRO A 100 3.949 16.350 -10.790 1.00 0.00 C ATOM 1562 C PRO A 100 2.965 16.790 -9.691 1.00 0.00 C ATOM 1563 O PRO A 100 2.804 16.097 -8.684 1.00 0.00 O ATOM 1564 CB PRO A 100 5.422 16.469 -10.331 1.00 0.00 C ATOM 1565 CG PRO A 100 5.886 17.812 -10.817 1.00 0.00 C ATOM 1566 CD PRO A 100 5.052 18.154 -12.039 1.00 0.00 C ATOM 0 HA PRO A 100 3.647 15.325 -11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.502 16.395 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.030 15.668 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.761 18.567 -10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.946 17.786 -11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.717 19.191 -12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.626 18.029 -12.957 1.00 0.00 H new ATOM 1574 N TYR A 101 2.295 17.935 -9.910 1.00 0.00 N ATOM 1575 CA TYR A 101 1.322 18.504 -8.967 1.00 0.00 C ATOM 1576 C TYR A 101 -0.103 18.285 -9.487 1.00 0.00 C ATOM 1577 O TYR A 101 -0.891 19.225 -9.639 1.00 0.00 O ATOM 1578 CB TYR A 101 1.637 20.003 -8.683 1.00 0.00 C ATOM 1579 CG TYR A 101 1.907 20.906 -9.905 1.00 0.00 C ATOM 1580 CD1 TYR A 101 3.189 21.016 -10.461 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.885 21.635 -10.504 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.438 21.848 -11.536 1.00 0.00 C ATOM 1583 CE2 TYR A 101 1.134 22.459 -11.582 1.00 0.00 C ATOM 1584 CZ TYR A 101 2.400 22.550 -12.105 1.00 0.00 C ATOM 1585 OH TYR A 101 2.636 23.384 -13.175 1.00 0.00 O ATOM 0 H TYR A 101 2.416 18.495 -10.754 1.00 0.00 H new ATOM 0 HA TYR A 101 1.400 17.987 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.800 20.426 -8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.508 20.048 -8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.999 20.439 -10.041 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.121 21.555 -10.119 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.440 21.947 -11.927 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.330 23.035 -12.016 1.00 0.00 H new ATOM 0 HH TYR A 101 1.795 23.802 -13.456 1.00 0.00 H new ATOM 1595 N THR A 102 -0.429 17.020 -9.777 1.00 0.00 N ATOM 1596 CA THR A 102 -1.791 16.612 -10.126 1.00 0.00 C ATOM 1597 C THR A 102 -2.158 15.310 -9.362 1.00 0.00 C ATOM 1598 O THR A 102 -1.681 14.219 -9.695 1.00 0.00 O ATOM 1599 CB THR A 102 -1.985 16.486 -11.682 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.343 16.126 -11.987 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.008 15.492 -12.346 1.00 0.00 C ATOM 0 H THR A 102 0.244 16.253 -9.776 1.00 0.00 H new ATOM 0 HA THR A 102 -2.486 17.390 -9.811 1.00 0.00 H new ATOM 0 HB THR A 102 -1.758 17.467 -12.100 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.415 15.151 -12.056 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.199 15.456 -13.419 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.017 15.818 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.152 14.500 -11.918 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.960 15.426 -8.243 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.514 14.250 -7.507 1.00 0.00 C ATOM 1611 C PRO A 103 -4.416 13.351 -8.389 1.00 0.00 C ATOM 1612 O PRO A 103 -4.685 12.187 -8.049 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.341 14.897 -6.357 1.00 0.00 C ATOM 1614 CG PRO A 103 -3.786 16.283 -6.203 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.333 16.710 -7.580 1.00 0.00 C ATOM 0 HA PRO A 103 -2.722 13.586 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.403 14.923 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.241 14.328 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.542 16.964 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.954 16.293 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.127 17.224 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.487 17.395 -7.529 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.894 13.912 -9.512 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.801 13.231 -10.444 1.00 0.00 C ATOM 1625 C PHE A 104 -5.028 12.793 -11.699 1.00 0.00 C ATOM 1626 O PHE A 104 -4.358 13.602 -12.337 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.968 14.181 -10.833 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.647 14.876 -9.639 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.040 14.156 -8.505 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.879 16.252 -9.650 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.646 14.789 -7.429 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.484 16.882 -8.577 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.868 16.153 -7.467 1.00 0.00 C ATOM 0 H PHE A 104 -4.657 14.862 -9.799 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.215 12.346 -9.961 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.588 14.943 -11.514 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.718 13.610 -11.380 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.869 13.090 -8.467 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.582 16.834 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.944 14.217 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.657 17.948 -8.607 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.340 16.648 -6.631 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.113 11.499 -12.038 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.579 10.974 -13.309 1.00 0.00 C ATOM 1645 C CYS A 105 -5.444 11.506 -14.467 1.00 0.00 C ATOM 1646 O CYS A 105 -6.588 11.881 -14.232 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.542 9.428 -13.295 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.158 8.590 -13.433 1.00 0.00 S ATOM 0 H CYS A 105 -5.549 10.790 -11.448 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.552 11.314 -13.445 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.909 9.092 -14.116 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.064 9.104 -12.371 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.896 11.515 -15.702 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.501 12.192 -16.881 1.00 0.00 C ATOM 1655 C GLN A 106 -7.008 11.881 -17.086 1.00 0.00 C ATOM 1656 O GLN A 106 -7.772 12.787 -17.414 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.695 11.860 -18.172 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.193 12.580 -19.448 1.00 0.00 C ATOM 1659 CD GLN A 106 -5.153 14.110 -19.348 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.265 14.690 -18.724 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -6.149 14.763 -19.912 1.00 0.00 N ATOM 0 H GLN A 106 -4.014 11.050 -15.915 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.443 13.261 -16.674 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.649 12.121 -18.008 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.732 10.784 -18.341 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.583 12.264 -20.294 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.215 12.265 -19.657 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.869 14.252 -20.422 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.199 15.779 -19.838 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.428 10.619 -16.867 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.853 10.224 -17.024 1.00 0.00 C ATOM 1672 C GLU A 107 -9.749 10.846 -15.922 1.00 0.00 C ATOM 1673 O GLU A 107 -10.897 11.195 -16.180 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.999 8.671 -17.112 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.411 7.842 -15.934 1.00 0.00 C ATOM 1676 CD GLU A 107 -9.314 7.704 -14.680 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -10.554 7.742 -14.805 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -8.781 7.545 -13.562 1.00 0.00 O ATOM 0 H GLU A 107 -6.811 9.858 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.210 10.631 -17.970 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.059 8.434 -17.198 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.522 8.337 -18.033 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.178 6.842 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.469 8.298 -15.630 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.195 10.996 -14.708 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.873 11.687 -13.581 1.00 0.00 C ATOM 1687 C CYS A 108 -9.926 13.211 -13.806 1.00 0.00 C ATOM 1688 O CYS A 108 -10.930 13.850 -13.490 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.175 11.357 -12.243 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.403 9.651 -11.716 1.00 0.00 S ATOM 0 H CYS A 108 -8.267 10.645 -14.473 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.899 11.323 -13.536 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.108 11.560 -12.339 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.558 12.022 -11.469 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.828 13.765 -14.360 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.724 15.188 -14.728 1.00 0.00 C ATOM 1697 C ALA A 109 -9.704 15.538 -15.866 1.00 0.00 C ATOM 1698 O ALA A 109 -10.238 16.647 -15.922 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.273 15.516 -15.126 1.00 0.00 C ATOM 0 H ALA A 109 -7.983 13.231 -14.565 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.997 15.796 -13.865 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.199 16.569 -15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.610 15.311 -14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.981 14.901 -15.977 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.927 14.559 -16.755 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.875 14.664 -17.873 1.00 0.00 C ATOM 1707 C ALA A 110 -12.330 14.520 -17.381 1.00 0.00 C ATOM 1708 O ALA A 110 -13.251 15.107 -17.962 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.546 13.590 -18.921 1.00 0.00 C ATOM 0 H ALA A 110 -9.447 13.660 -16.717 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.779 15.650 -18.327 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.248 13.665 -19.752 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.531 13.739 -19.289 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.626 12.602 -18.467 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.512 13.724 -16.309 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.833 13.436 -15.717 1.00 0.00 C ATOM 1717 C ALA A 111 -14.325 14.578 -14.798 1.00 0.00 C ATOM 1718 O ALA A 111 -15.488 14.565 -14.381 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.788 12.102 -14.950 1.00 0.00 C ATOM 0 H ALA A 111 -11.742 13.260 -15.827 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.550 13.357 -16.535 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.767 11.898 -14.517 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.520 11.298 -15.635 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.045 12.164 -14.155 1.00 0.00 H new ATOM 1725 N LEU A 112 -13.435 15.546 -14.480 1.00 0.00 N ATOM 1726 CA LEU A 112 -13.782 16.731 -13.660 1.00 0.00 C ATOM 1727 C LEU A 112 -14.849 17.593 -14.387 1.00 0.00 C ATOM 1728 O LEU A 112 -14.522 18.198 -15.433 1.00 0.00 O ATOM 1729 CB LEU A 112 -12.516 17.585 -13.348 1.00 0.00 C ATOM 1730 CG LEU A 112 -11.425 16.918 -12.458 1.00 0.00 C ATOM 1731 CD1 LEU A 112 -10.183 17.829 -12.301 1.00 0.00 C ATOM 1732 CD2 LEU A 112 -11.995 16.503 -11.080 1.00 0.00 C ATOM 1733 OXT LEU A 112 -16.012 17.646 -13.924 1.00 0.00 O ATOM 0 H LEU A 112 -12.461 15.529 -14.782 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.195 16.381 -12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.056 17.870 -14.294 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.838 18.505 -12.860 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.102 16.010 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.443 17.331 -11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.752 18.029 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.478 18.770 -11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.207 16.041 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.372 17.385 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.808 15.791 -11.222 1.00 0.00 H new TER 1745 LEU A 112 HETATM 1746 ZN ZN A 113 -7.455 8.489 -11.522 1.00 0.00 ZN