USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.936 (180deg=-0.395!) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0427) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -90:sc= 0.593 USER MOD Single : A 13 SER OG : rot 170:sc= -0.249 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0.843 (180deg=0.743) USER MOD Single : A 16 ASN : amide:sc= -1.6! C(o=-1.6!,f=-3.4!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 18 HIS : no HE2:sc= -0.0844 X(o=-0.084,f=-0.095) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0911 F(o=-0.86,f=-0.091) USER MOD Single : A 20 ASN : amide:sc= -2.66! C(o=-2.7!,f=-6.3!) USER MOD Single : A 22 MET CE :methyl 140:sc= 0 (180deg=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0176 (180deg=-0.145) USER MOD Single : A 30 ASN : amide:sc= -0.115 K(o=-0.12,f=-3.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0.612 (180deg=0.408) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 150:sc= -0.206 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -111:sc= 1.24 (180deg=-0.0741) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc=-0.00875 (180deg=-0.128) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HE2:sc= 0.198 K(o=0.2,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.676 3.100 -0.276 1.00 4.25 N ATOM 2 CA MET A 1 -15.643 4.144 -0.416 1.00 51.41 C ATOM 3 C MET A 1 -14.258 3.604 0.035 1.00 53.12 C ATOM 4 O MET A 1 -13.950 3.531 1.229 1.00 73.50 O ATOM 5 CB MET A 1 -16.062 5.448 0.336 1.00 72.55 C ATOM 6 CG MET A 1 -16.332 5.295 1.849 1.00 35.15 C ATOM 7 SD MET A 1 -17.663 4.123 2.216 1.00 54.13 S ATOM 8 CE MET A 1 -17.597 4.086 4.009 1.00 13.40 C ATOM 0 H1 MET A 1 -17.448 3.283 -0.949 1.00 4.25 H new ATOM 0 H2 MET A 1 -16.257 2.169 -0.474 1.00 4.25 H new ATOM 0 H3 MET A 1 -17.052 3.112 0.694 1.00 4.25 H new ATOM 0 HA MET A 1 -15.550 4.412 -1.468 1.00 51.41 H new ATOM 0 HB2 MET A 1 -15.277 6.192 0.200 1.00 72.55 H new ATOM 0 HB3 MET A 1 -16.961 5.844 -0.136 1.00 72.55 H new ATOM 0 HG2 MET A 1 -15.418 4.965 2.344 1.00 35.15 H new ATOM 0 HG3 MET A 1 -16.587 6.269 2.267 1.00 35.15 H new ATOM 0 HE1 MET A 1 -18.360 3.405 4.387 1.00 13.40 H new ATOM 0 HE2 MET A 1 -16.613 3.743 4.330 1.00 13.40 H new ATOM 0 HE3 MET A 1 -17.778 5.087 4.400 1.00 13.40 H new ATOM 20 N ARG A 2 -13.445 3.165 -0.948 1.00 62.52 N ATOM 21 CA ARG A 2 -12.055 2.704 -0.723 1.00 2.40 C ATOM 22 C ARG A 2 -11.121 3.347 -1.755 1.00 21.15 C ATOM 23 O ARG A 2 -11.577 4.006 -2.703 1.00 70.23 O ATOM 24 CB ARG A 2 -11.939 1.148 -0.810 1.00 4.13 C ATOM 25 CG ARG A 2 -12.740 0.373 0.256 1.00 11.01 C ATOM 26 CD ARG A 2 -12.525 -1.150 0.180 1.00 24.21 C ATOM 27 NE ARG A 2 -12.910 -1.730 -1.123 1.00 35.22 N ATOM 28 CZ ARG A 2 -14.123 -2.228 -1.433 1.00 32.54 C ATOM 29 NH1 ARG A 2 -15.115 -2.229 -0.542 1.00 73.01 N ATOM 30 NH2 ARG A 2 -14.319 -2.765 -2.630 1.00 24.54 N ATOM 0 H ARG A 2 -13.734 3.119 -1.925 1.00 62.52 H new ATOM 0 HA ARG A 2 -11.764 3.007 0.283 1.00 2.40 H new ATOM 0 HB2 ARG A 2 -12.273 0.829 -1.797 1.00 4.13 H new ATOM 0 HB3 ARG A 2 -10.888 0.872 -0.725 1.00 4.13 H new ATOM 0 HG2 ARG A 2 -12.453 0.726 1.246 1.00 11.01 H new ATOM 0 HG3 ARG A 2 -13.801 0.591 0.135 1.00 11.01 H new ATOM 0 HD2 ARG A 2 -11.475 -1.372 0.373 1.00 24.21 H new ATOM 0 HD3 ARG A 2 -13.103 -1.631 0.969 1.00 24.21 H new ATOM 0 HE ARG A 2 -12.196 -1.756 -1.851 1.00 35.22 H new ATOM 0 HH11 ARG A 2 -14.962 -1.849 0.392 1.00 73.01 H new ATOM 0 HH12 ARG A 2 -16.027 -2.610 -0.794 1.00 73.01 H new ATOM 0 HH21 ARG A 2 -13.555 -2.798 -3.305 1.00 24.54 H new ATOM 0 HH22 ARG A 2 -15.233 -3.145 -2.875 1.00 24.54 H new ATOM 44 N ILE A 3 -9.815 3.156 -1.542 1.00 20.30 N ATOM 45 CA ILE A 3 -8.746 3.611 -2.450 1.00 34.13 C ATOM 46 C ILE A 3 -8.014 2.357 -2.973 1.00 43.20 C ATOM 47 O ILE A 3 -7.556 1.546 -2.169 1.00 0.34 O ATOM 48 CB ILE A 3 -7.735 4.553 -1.688 1.00 53.21 C ATOM 49 CG1 ILE A 3 -8.506 5.698 -0.954 1.00 21.31 C ATOM 50 CG2 ILE A 3 -6.645 5.123 -2.634 1.00 14.14 C ATOM 51 CD1 ILE A 3 -7.662 6.505 0.015 1.00 21.31 C ATOM 0 H ILE A 3 -9.460 2.671 -0.718 1.00 20.30 H new ATOM 0 HA ILE A 3 -9.170 4.181 -3.276 1.00 34.13 H new ATOM 0 HB ILE A 3 -7.218 3.950 -0.941 1.00 53.21 H new ATOM 0 HG12 ILE A 3 -8.925 6.373 -1.700 1.00 21.31 H new ATOM 0 HG13 ILE A 3 -9.345 5.263 -0.410 1.00 21.31 H new ATOM 0 HG21 ILE A 3 -5.971 5.766 -2.067 1.00 14.14 H new ATOM 0 HG22 ILE A 3 -6.079 4.302 -3.074 1.00 14.14 H new ATOM 0 HG23 ILE A 3 -7.118 5.703 -3.427 1.00 14.14 H new ATOM 0 HD11 ILE A 3 -8.277 7.276 0.478 1.00 21.31 H new ATOM 0 HD12 ILE A 3 -7.264 5.846 0.787 1.00 21.31 H new ATOM 0 HD13 ILE A 3 -6.838 6.973 -0.523 1.00 21.31 H new ATOM 63 N LYS A 4 -7.922 2.178 -4.300 1.00 31.04 N ATOM 64 CA LYS A 4 -7.208 1.020 -4.889 1.00 41.43 C ATOM 65 C LYS A 4 -5.736 1.369 -5.082 1.00 41.35 C ATOM 66 O LYS A 4 -5.415 2.487 -5.477 1.00 72.44 O ATOM 67 CB LYS A 4 -7.828 0.598 -6.243 1.00 71.43 C ATOM 68 CG LYS A 4 -9.240 0.011 -6.113 1.00 74.43 C ATOM 69 CD LYS A 4 -9.819 -0.451 -7.464 1.00 73.52 C ATOM 70 CE LYS A 4 -11.181 -1.146 -7.307 1.00 70.33 C ATOM 71 NZ LYS A 4 -12.193 -0.273 -6.650 1.00 53.30 N ATOM 0 H LYS A 4 -8.328 2.813 -4.987 1.00 31.04 H new ATOM 0 HA LYS A 4 -7.303 0.180 -4.201 1.00 41.43 H new ATOM 0 HB2 LYS A 4 -7.863 1.464 -6.904 1.00 71.43 H new ATOM 0 HB3 LYS A 4 -7.179 -0.138 -6.717 1.00 71.43 H new ATOM 0 HG2 LYS A 4 -9.216 -0.834 -5.425 1.00 74.43 H new ATOM 0 HG3 LYS A 4 -9.901 0.759 -5.676 1.00 74.43 H new ATOM 0 HD2 LYS A 4 -9.927 0.410 -8.124 1.00 73.52 H new ATOM 0 HD3 LYS A 4 -9.118 -1.134 -7.943 1.00 73.52 H new ATOM 0 HE2 LYS A 4 -11.547 -1.447 -8.289 1.00 70.33 H new ATOM 0 HE3 LYS A 4 -11.056 -2.056 -6.721 1.00 70.33 H new ATOM 0 HZ1 LYS A 4 -13.115 -0.754 -6.643 1.00 53.30 H new ATOM 0 HZ2 LYS A 4 -11.899 -0.075 -5.672 1.00 53.30 H new ATOM 0 HZ3 LYS A 4 -12.273 0.621 -7.175 1.00 53.30 H new ATOM 85 N GLY A 5 -4.847 0.407 -4.802 1.00 71.44 N ATOM 86 CA GLY A 5 -3.408 0.618 -4.946 1.00 45.32 C ATOM 87 C GLY A 5 -2.708 -0.604 -5.513 1.00 0.21 C ATOM 88 O GLY A 5 -2.953 -1.714 -5.076 1.00 23.34 O ATOM 0 H GLY A 5 -5.103 -0.524 -4.474 1.00 71.44 H new ATOM 0 HA2 GLY A 5 -3.230 1.473 -5.599 1.00 45.32 H new ATOM 0 HA3 GLY A 5 -2.979 0.864 -3.975 1.00 45.32 H new ATOM 92 N VAL A 6 -1.803 -0.390 -6.463 1.00 21.41 N ATOM 93 CA VAL A 6 -1.077 -1.462 -7.136 1.00 41.24 C ATOM 94 C VAL A 6 0.230 -1.742 -6.379 1.00 44.22 C ATOM 95 O VAL A 6 1.080 -0.854 -6.251 1.00 44.14 O ATOM 96 CB VAL A 6 -0.790 -1.069 -8.627 1.00 3.11 C ATOM 97 CG1 VAL A 6 0.083 -2.127 -9.341 1.00 0.41 C ATOM 98 CG2 VAL A 6 -2.123 -0.832 -9.383 1.00 35.51 C ATOM 0 H VAL A 6 -1.550 0.542 -6.791 1.00 21.41 H new ATOM 0 HA VAL A 6 -1.682 -2.368 -7.140 1.00 41.24 H new ATOM 0 HB VAL A 6 -0.221 -0.139 -8.629 1.00 3.11 H new ATOM 0 HG11 VAL A 6 0.259 -1.818 -10.371 1.00 0.41 H new ATOM 0 HG12 VAL A 6 1.037 -2.222 -8.822 1.00 0.41 H new ATOM 0 HG13 VAL A 6 -0.431 -3.088 -9.333 1.00 0.41 H new ATOM 0 HG21 VAL A 6 -1.911 -0.560 -10.417 1.00 35.51 H new ATOM 0 HG22 VAL A 6 -2.720 -1.744 -9.363 1.00 35.51 H new ATOM 0 HG23 VAL A 6 -2.676 -0.026 -8.901 1.00 35.51 H new ATOM 108 N VAL A 7 0.329 -2.972 -5.847 1.00 32.23 N ATOM 109 CA VAL A 7 1.523 -3.492 -5.161 1.00 0.23 C ATOM 110 C VAL A 7 2.764 -3.377 -6.077 1.00 45.13 C ATOM 111 O VAL A 7 2.913 -4.140 -7.032 1.00 42.34 O ATOM 112 CB VAL A 7 1.297 -4.996 -4.732 1.00 25.11 C ATOM 113 CG1 VAL A 7 2.568 -5.620 -4.108 1.00 75.40 C ATOM 114 CG2 VAL A 7 0.081 -5.132 -3.779 1.00 33.52 C ATOM 0 H VAL A 7 -0.435 -3.646 -5.883 1.00 32.23 H new ATOM 0 HA VAL A 7 1.696 -2.895 -4.265 1.00 0.23 H new ATOM 0 HB VAL A 7 1.077 -5.557 -5.640 1.00 25.11 H new ATOM 0 HG11 VAL A 7 2.366 -6.654 -3.828 1.00 75.40 H new ATOM 0 HG12 VAL A 7 3.381 -5.593 -4.834 1.00 75.40 H new ATOM 0 HG13 VAL A 7 2.854 -5.054 -3.222 1.00 75.40 H new ATOM 0 HG21 VAL A 7 -0.049 -6.178 -3.502 1.00 33.52 H new ATOM 0 HG22 VAL A 7 0.254 -4.537 -2.882 1.00 33.52 H new ATOM 0 HG23 VAL A 7 -0.818 -4.776 -4.283 1.00 33.52 H new ATOM 124 N LEU A 8 3.619 -2.386 -5.797 1.00 23.21 N ATOM 125 CA LEU A 8 4.837 -2.137 -6.582 1.00 12.44 C ATOM 126 C LEU A 8 5.908 -3.184 -6.246 1.00 33.42 C ATOM 127 O LEU A 8 6.380 -3.916 -7.133 1.00 43.14 O ATOM 128 CB LEU A 8 5.361 -0.701 -6.314 1.00 44.02 C ATOM 129 CG LEU A 8 4.394 0.457 -6.715 1.00 14.01 C ATOM 130 CD1 LEU A 8 4.996 1.840 -6.378 1.00 42.33 C ATOM 131 CD2 LEU A 8 3.988 0.355 -8.209 1.00 70.14 C ATOM 0 H LEU A 8 3.488 -1.735 -5.023 1.00 23.21 H new ATOM 0 HA LEU A 8 4.600 -2.222 -7.643 1.00 12.44 H new ATOM 0 HB2 LEU A 8 5.588 -0.609 -5.252 1.00 44.02 H new ATOM 0 HB3 LEU A 8 6.299 -0.570 -6.853 1.00 44.02 H new ATOM 0 HG LEU A 8 3.486 0.351 -6.122 1.00 14.01 H new ATOM 0 HD11 LEU A 8 4.296 2.623 -6.671 1.00 42.33 H new ATOM 0 HD12 LEU A 8 5.184 1.904 -5.306 1.00 42.33 H new ATOM 0 HD13 LEU A 8 5.933 1.971 -6.919 1.00 42.33 H new ATOM 0 HD21 LEU A 8 3.314 1.174 -8.460 1.00 70.14 H new ATOM 0 HD22 LEU A 8 4.880 0.414 -8.833 1.00 70.14 H new ATOM 0 HD23 LEU A 8 3.484 -0.596 -8.385 1.00 70.14 H new ATOM 143 N SER A 9 6.251 -3.261 -4.954 1.00 33.43 N ATOM 144 CA SER A 9 7.280 -4.185 -4.443 1.00 62.14 C ATOM 145 C SER A 9 7.162 -4.322 -2.919 1.00 25.51 C ATOM 146 O SER A 9 6.491 -3.515 -2.271 1.00 43.14 O ATOM 147 CB SER A 9 8.689 -3.681 -4.834 1.00 64.20 C ATOM 148 OG SER A 9 8.930 -2.370 -4.341 1.00 61.04 O ATOM 0 H SER A 9 5.824 -2.684 -4.229 1.00 33.43 H new ATOM 0 HA SER A 9 7.125 -5.167 -4.891 1.00 62.14 H new ATOM 0 HB2 SER A 9 9.443 -4.363 -4.440 1.00 64.20 H new ATOM 0 HB3 SER A 9 8.790 -3.687 -5.919 1.00 64.20 H new ATOM 0 HG SER A 9 9.829 -2.082 -4.604 1.00 61.04 H new ATOM 154 N TYR A 10 7.802 -5.364 -2.360 1.00 54.20 N ATOM 155 CA TYR A 10 7.995 -5.498 -0.907 1.00 71.11 C ATOM 156 C TYR A 10 9.326 -4.849 -0.515 1.00 15.31 C ATOM 157 O TYR A 10 10.338 -5.024 -1.206 1.00 74.25 O ATOM 158 CB TYR A 10 8.000 -6.988 -0.467 1.00 60.43 C ATOM 159 CG TYR A 10 6.640 -7.692 -0.601 1.00 52.03 C ATOM 160 CD1 TYR A 10 5.622 -7.464 0.328 1.00 41.23 C ATOM 161 CD2 TYR A 10 6.376 -8.580 -1.646 1.00 32.14 C ATOM 162 CE1 TYR A 10 4.399 -8.093 0.215 1.00 11.11 C ATOM 163 CE2 TYR A 10 5.154 -9.211 -1.763 1.00 20.13 C ATOM 164 CZ TYR A 10 4.172 -8.964 -0.830 1.00 44.13 C ATOM 165 OH TYR A 10 2.954 -9.593 -0.944 1.00 21.43 O ATOM 0 H TYR A 10 8.198 -6.133 -2.900 1.00 54.20 H new ATOM 0 HA TYR A 10 7.165 -5.000 -0.405 1.00 71.11 H new ATOM 0 HB2 TYR A 10 8.736 -7.528 -1.063 1.00 60.43 H new ATOM 0 HB3 TYR A 10 8.326 -7.047 0.572 1.00 60.43 H new ATOM 0 HD1 TYR A 10 5.795 -6.784 1.149 1.00 41.23 H new ATOM 0 HD2 TYR A 10 7.145 -8.777 -2.379 1.00 32.14 H new ATOM 0 HE1 TYR A 10 3.623 -7.904 0.942 1.00 11.11 H new ATOM 0 HE2 TYR A 10 4.970 -9.893 -2.580 1.00 20.13 H new ATOM 0 HH TYR A 10 2.979 -10.444 -0.459 1.00 21.43 H new ATOM 175 N ARG A 11 9.297 -4.067 0.566 1.00 24.14 N ATOM 176 CA ARG A 11 10.499 -3.610 1.264 1.00 20.24 C ATOM 177 C ARG A 11 10.663 -4.560 2.460 1.00 13.31 C ATOM 178 O ARG A 11 9.893 -4.476 3.430 1.00 42.15 O ATOM 179 CB ARG A 11 10.324 -2.101 1.672 1.00 24.23 C ATOM 180 CG ARG A 11 11.536 -1.420 2.387 1.00 0.53 C ATOM 181 CD ARG A 11 11.638 -1.735 3.899 1.00 52.45 C ATOM 182 NE ARG A 11 12.818 -1.145 4.527 1.00 73.02 N ATOM 183 CZ ARG A 11 13.345 -1.546 5.693 1.00 12.30 C ATOM 184 NH1 ARG A 11 12.817 -2.551 6.386 1.00 55.31 N ATOM 185 NH2 ARG A 11 14.406 -0.923 6.169 1.00 54.45 N ATOM 0 H ARG A 11 8.430 -3.730 0.985 1.00 24.14 H new ATOM 0 HA ARG A 11 11.400 -3.641 0.652 1.00 20.24 H new ATOM 0 HB2 ARG A 11 10.096 -1.530 0.772 1.00 24.23 H new ATOM 0 HB3 ARG A 11 9.456 -2.024 2.327 1.00 24.23 H new ATOM 0 HG2 ARG A 11 12.457 -1.737 1.898 1.00 0.53 H new ATOM 0 HG3 ARG A 11 11.461 -0.340 2.256 1.00 0.53 H new ATOM 0 HD2 ARG A 11 10.744 -1.368 4.402 1.00 52.45 H new ATOM 0 HD3 ARG A 11 11.661 -2.816 4.039 1.00 52.45 H new ATOM 0 HE ARG A 11 13.274 -0.372 4.043 1.00 73.02 H new ATOM 0 HH11 ARG A 11 11.992 -3.036 6.033 1.00 55.31 H new ATOM 0 HH12 ARG A 11 13.237 -2.837 7.270 1.00 55.31 H new ATOM 0 HH21 ARG A 11 14.816 -0.146 5.651 1.00 54.45 H new ATOM 0 HH22 ARG A 11 14.816 -1.219 7.055 1.00 54.45 H new ATOM 199 N ARG A 12 11.661 -5.468 2.388 1.00 53.42 N ATOM 200 CA ARG A 12 11.794 -6.550 3.379 1.00 61.31 C ATOM 201 C ARG A 12 12.431 -6.021 4.675 1.00 1.31 C ATOM 202 O ARG A 12 13.366 -5.206 4.642 1.00 13.45 O ATOM 203 CB ARG A 12 12.538 -7.793 2.809 1.00 43.31 C ATOM 204 CG ARG A 12 14.061 -7.659 2.609 1.00 12.12 C ATOM 205 CD ARG A 12 14.675 -8.920 1.962 1.00 3.33 C ATOM 206 NE ARG A 12 14.338 -10.163 2.704 1.00 42.12 N ATOM 207 CZ ARG A 12 13.714 -11.242 2.175 1.00 15.22 C ATOM 208 NH1 ARG A 12 13.329 -11.257 0.901 1.00 74.23 N ATOM 209 NH2 ARG A 12 13.482 -12.304 2.929 1.00 73.42 N ATOM 0 H ARG A 12 12.377 -5.471 1.662 1.00 53.42 H new ATOM 0 HA ARG A 12 10.791 -6.900 3.624 1.00 61.31 H new ATOM 0 HB2 ARG A 12 12.356 -8.634 3.477 1.00 43.31 H new ATOM 0 HB3 ARG A 12 12.090 -8.046 1.848 1.00 43.31 H new ATOM 0 HG2 ARG A 12 14.269 -6.792 1.982 1.00 12.12 H new ATOM 0 HG3 ARG A 12 14.538 -7.477 3.572 1.00 12.12 H new ATOM 0 HD2 ARG A 12 14.320 -9.007 0.935 1.00 3.33 H new ATOM 0 HD3 ARG A 12 15.759 -8.810 1.917 1.00 3.33 H new ATOM 0 HE ARG A 12 14.597 -10.207 3.690 1.00 42.12 H new ATOM 0 HH11 ARG A 12 13.503 -10.447 0.306 1.00 74.23 H new ATOM 0 HH12 ARG A 12 12.860 -12.079 0.520 1.00 74.23 H new ATOM 0 HH21 ARG A 12 13.773 -12.309 3.907 1.00 73.42 H new ATOM 0 HH22 ARG A 12 13.012 -13.118 2.533 1.00 73.42 H new ATOM 223 N SER A 13 11.849 -6.442 5.807 1.00 4.14 N ATOM 224 CA SER A 13 12.358 -6.140 7.148 1.00 32.23 C ATOM 225 C SER A 13 13.706 -6.857 7.384 1.00 22.31 C ATOM 226 O SER A 13 13.990 -7.885 6.744 1.00 44.22 O ATOM 227 CB SER A 13 11.300 -6.553 8.199 1.00 10.23 C ATOM 228 OG SER A 13 10.064 -5.902 7.949 1.00 53.54 O ATOM 0 H SER A 13 11.001 -7.009 5.815 1.00 4.14 H new ATOM 0 HA SER A 13 12.539 -5.069 7.243 1.00 32.23 H new ATOM 0 HB2 SER A 13 11.159 -7.634 8.175 1.00 10.23 H new ATOM 0 HB3 SER A 13 11.655 -6.300 9.198 1.00 10.23 H new ATOM 0 HG SER A 13 9.368 -6.292 8.518 1.00 53.54 H new ATOM 234 N LYS A 14 14.530 -6.296 8.297 1.00 54.04 N ATOM 235 CA LYS A 14 15.883 -6.813 8.608 1.00 65.10 C ATOM 236 C LYS A 14 15.805 -8.270 9.101 1.00 74.42 C ATOM 237 O LYS A 14 16.601 -9.125 8.700 1.00 54.13 O ATOM 238 CB LYS A 14 16.578 -5.908 9.669 1.00 20.42 C ATOM 239 CG LYS A 14 18.072 -6.242 9.934 1.00 51.42 C ATOM 240 CD LYS A 14 18.724 -5.320 10.999 1.00 54.41 C ATOM 241 CE LYS A 14 18.215 -5.577 12.432 1.00 40.21 C ATOM 242 NZ LYS A 14 18.604 -6.921 12.926 1.00 22.21 N ATOM 0 H LYS A 14 14.276 -5.471 8.840 1.00 54.04 H new ATOM 0 HA LYS A 14 16.480 -6.794 7.696 1.00 65.10 H new ATOM 0 HB2 LYS A 14 16.505 -4.870 9.344 1.00 20.42 H new ATOM 0 HB3 LYS A 14 16.031 -5.988 10.608 1.00 20.42 H new ATOM 0 HG2 LYS A 14 18.154 -7.279 10.261 1.00 51.42 H new ATOM 0 HG3 LYS A 14 18.628 -6.158 9.000 1.00 51.42 H new ATOM 0 HD2 LYS A 14 19.805 -5.459 10.976 1.00 54.41 H new ATOM 0 HD3 LYS A 14 18.531 -4.280 10.735 1.00 54.41 H new ATOM 0 HE2 LYS A 14 18.615 -4.815 13.101 1.00 40.21 H new ATOM 0 HE3 LYS A 14 17.129 -5.483 12.454 1.00 40.21 H new ATOM 0 HZ1 LYS A 14 18.363 -7.004 13.934 1.00 22.21 H new ATOM 0 HZ2 LYS A 14 18.094 -7.650 12.387 1.00 22.21 H new ATOM 0 HZ3 LYS A 14 19.628 -7.053 12.803 1.00 22.21 H new ATOM 256 N GLU A 15 14.808 -8.525 9.957 1.00 41.01 N ATOM 257 CA GLU A 15 14.502 -9.851 10.485 1.00 11.22 C ATOM 258 C GLU A 15 13.285 -10.410 9.739 1.00 43.41 C ATOM 259 O GLU A 15 12.162 -9.910 9.902 1.00 24.23 O ATOM 260 CB GLU A 15 14.231 -9.761 12.009 1.00 25.20 C ATOM 261 CG GLU A 15 15.376 -9.112 12.824 1.00 33.24 C ATOM 262 CD GLU A 15 16.731 -9.830 12.655 1.00 21.44 C ATOM 263 OE1 GLU A 15 16.965 -10.848 13.336 1.00 72.41 O ATOM 264 OE2 GLU A 15 17.568 -9.382 11.835 1.00 71.23 O ATOM 0 H GLU A 15 14.182 -7.799 10.306 1.00 41.01 H new ATOM 0 HA GLU A 15 15.348 -10.522 10.335 1.00 11.22 H new ATOM 0 HB2 GLU A 15 13.317 -9.189 12.170 1.00 25.20 H new ATOM 0 HB3 GLU A 15 14.051 -10.765 12.394 1.00 25.20 H new ATOM 0 HG2 GLU A 15 15.484 -8.071 12.519 1.00 33.24 H new ATOM 0 HG3 GLU A 15 15.104 -9.109 13.880 1.00 33.24 H new ATOM 271 N ASN A 16 13.541 -11.419 8.892 1.00 11.33 N ATOM 272 CA ASN A 16 12.519 -12.119 8.105 1.00 1.12 C ATOM 273 C ASN A 16 11.629 -12.957 9.044 1.00 53.44 C ATOM 274 O ASN A 16 11.953 -14.101 9.364 1.00 71.44 O ATOM 275 CB ASN A 16 13.200 -13.031 7.042 1.00 33.04 C ATOM 276 CG ASN A 16 14.171 -12.284 6.122 1.00 74.01 C ATOM 277 OD1 ASN A 16 13.974 -11.117 5.786 1.00 53.45 O ATOM 278 ND2 ASN A 16 15.223 -12.957 5.689 1.00 61.42 N ATOM 0 H ASN A 16 14.483 -11.777 8.733 1.00 11.33 H new ATOM 0 HA ASN A 16 11.897 -11.389 7.587 1.00 1.12 H new ATOM 0 HB2 ASN A 16 13.738 -13.830 7.552 1.00 33.04 H new ATOM 0 HB3 ASN A 16 12.429 -13.504 6.434 1.00 33.04 H new ATOM 0 HD21 ASN A 16 15.892 -12.510 5.063 1.00 61.42 H new ATOM 0 HD22 ASN A 16 15.366 -13.924 5.981 1.00 61.42 H new ATOM 285 N GLN A 17 10.566 -12.329 9.561 1.00 64.12 N ATOM 286 CA GLN A 17 9.550 -12.980 10.408 1.00 2.40 C ATOM 287 C GLN A 17 8.163 -12.541 9.915 1.00 0.51 C ATOM 288 O GLN A 17 7.494 -13.269 9.176 1.00 71.52 O ATOM 289 CB GLN A 17 9.759 -12.618 11.921 1.00 1.52 C ATOM 290 CG GLN A 17 10.999 -13.253 12.597 1.00 24.35 C ATOM 291 CD GLN A 17 10.873 -14.772 12.818 1.00 25.31 C ATOM 292 OE1 GLN A 17 9.777 -15.305 13.012 1.00 32.53 O ATOM 293 NE2 GLN A 17 11.993 -15.475 12.828 1.00 42.43 N ATOM 0 H GLN A 17 10.382 -11.338 9.402 1.00 64.12 H new ATOM 0 HA GLN A 17 9.641 -14.063 10.331 1.00 2.40 H new ATOM 0 HB2 GLN A 17 9.835 -11.534 12.009 1.00 1.52 H new ATOM 0 HB3 GLN A 17 8.871 -12.922 12.475 1.00 1.52 H new ATOM 0 HG2 GLN A 17 11.878 -13.056 11.983 1.00 24.35 H new ATOM 0 HG3 GLN A 17 11.166 -12.767 13.558 1.00 24.35 H new ATOM 0 HE21 GLN A 17 12.887 -15.012 12.665 1.00 42.43 H new ATOM 0 HE22 GLN A 17 11.963 -16.480 12.999 1.00 42.43 H new ATOM 302 N HIS A 18 7.787 -11.302 10.281 1.00 65.13 N ATOM 303 CA HIS A 18 6.512 -10.671 9.899 1.00 75.40 C ATOM 304 C HIS A 18 6.662 -9.151 10.040 1.00 43.41 C ATOM 305 O HIS A 18 7.778 -8.664 10.283 1.00 34.12 O ATOM 306 CB HIS A 18 5.324 -11.212 10.756 1.00 32.45 C ATOM 307 CG HIS A 18 5.409 -10.908 12.238 1.00 33.44 C ATOM 308 ND1 HIS A 18 4.514 -10.085 12.895 1.00 12.41 N ATOM 309 CD2 HIS A 18 6.274 -11.344 13.189 1.00 55.13 C ATOM 310 CE1 HIS A 18 4.831 -10.032 14.175 1.00 21.23 C ATOM 311 NE2 HIS A 18 5.890 -10.784 14.375 1.00 10.33 N ATOM 0 H HIS A 18 8.372 -10.701 10.861 1.00 65.13 H new ATOM 0 HA HIS A 18 6.279 -10.920 8.864 1.00 75.40 H new ATOM 0 HB2 HIS A 18 4.396 -10.793 10.368 1.00 32.45 H new ATOM 0 HB3 HIS A 18 5.265 -12.293 10.625 1.00 32.45 H new ATOM 0 HD1 HIS A 18 3.732 -9.596 12.459 1.00 12.41 H new ATOM 0 HD2 HIS A 18 7.111 -12.010 13.037 1.00 55.13 H new ATOM 0 HE1 HIS A 18 4.308 -9.466 14.931 1.00 21.23 H new ATOM 320 N ASN A 19 5.539 -8.415 9.871 1.00 13.43 N ATOM 321 CA ASN A 19 5.513 -6.935 9.913 1.00 25.22 C ATOM 322 C ASN A 19 6.360 -6.342 8.778 1.00 11.53 C ATOM 323 O ASN A 19 6.982 -5.284 8.926 1.00 0.14 O ATOM 324 CB ASN A 19 5.931 -6.389 11.311 1.00 42.51 C ATOM 325 CG ASN A 19 4.916 -6.696 12.414 1.00 53.24 C ATOM 326 OD1 ASN A 19 3.628 -6.607 12.107 1.00 53.04 O flip ATOM 327 ND2 ASN A 19 5.289 -6.959 13.561 1.00 65.25 N flip ATOM 0 H ASN A 19 4.624 -8.832 9.701 1.00 13.43 H new ATOM 0 HA ASN A 19 4.484 -6.612 9.754 1.00 25.22 H new ATOM 0 HB2 ASN A 19 6.895 -6.817 11.586 1.00 42.51 H new ATOM 0 HB3 ASN A 19 6.068 -5.310 11.245 1.00 42.51 H new ATOM 0 HD21 ASN A 19 6.285 -7.022 13.772 1.00 65.25 H new ATOM 0 HD22 ASN A 19 4.601 -7.114 14.298 1.00 65.25 H new ATOM 334 N ASN A 20 6.341 -7.050 7.641 1.00 13.23 N ATOM 335 CA ASN A 20 7.058 -6.663 6.426 1.00 71.55 C ATOM 336 C ASN A 20 6.383 -5.437 5.773 1.00 0.45 C ATOM 337 O ASN A 20 5.153 -5.251 5.878 1.00 65.44 O ATOM 338 CB ASN A 20 7.095 -7.862 5.441 1.00 61.41 C ATOM 339 CG ASN A 20 7.888 -7.586 4.164 1.00 31.24 C ATOM 340 OD1 ASN A 20 8.865 -6.877 4.192 1.00 12.34 O ATOM 341 ND2 ASN A 20 7.469 -8.137 3.041 1.00 2.32 N ATOM 0 H ASN A 20 5.818 -7.920 7.541 1.00 13.23 H new ATOM 0 HA ASN A 20 8.081 -6.388 6.683 1.00 71.55 H new ATOM 0 HB2 ASN A 20 7.529 -8.724 5.948 1.00 61.41 H new ATOM 0 HB3 ASN A 20 6.074 -8.131 5.172 1.00 61.41 H new ATOM 0 HD21 ASN A 20 7.973 -7.968 2.171 1.00 2.32 H new ATOM 0 HD22 ASN A 20 6.641 -8.732 3.043 1.00 2.32 H new ATOM 348 N VAL A 21 7.197 -4.615 5.096 1.00 4.34 N ATOM 349 CA VAL A 21 6.743 -3.392 4.439 1.00 32.35 C ATOM 350 C VAL A 21 6.419 -3.714 2.977 1.00 11.14 C ATOM 351 O VAL A 21 7.094 -4.548 2.360 1.00 74.54 O ATOM 352 CB VAL A 21 7.851 -2.281 4.505 1.00 33.45 C ATOM 353 CG1 VAL A 21 7.352 -0.942 3.929 1.00 74.23 C ATOM 354 CG2 VAL A 21 8.379 -2.113 5.944 1.00 70.13 C ATOM 0 H VAL A 21 8.197 -4.786 4.991 1.00 4.34 H new ATOM 0 HA VAL A 21 5.856 -3.017 4.949 1.00 32.35 H new ATOM 0 HB VAL A 21 8.682 -2.608 3.880 1.00 33.45 H new ATOM 0 HG11 VAL A 21 8.147 -0.199 3.993 1.00 74.23 H new ATOM 0 HG12 VAL A 21 7.066 -1.079 2.886 1.00 74.23 H new ATOM 0 HG13 VAL A 21 6.489 -0.599 4.500 1.00 74.23 H new ATOM 0 HG21 VAL A 21 9.145 -1.338 5.962 1.00 70.13 H new ATOM 0 HG22 VAL A 21 7.558 -1.827 6.602 1.00 70.13 H new ATOM 0 HG23 VAL A 21 8.808 -3.055 6.287 1.00 70.13 H new ATOM 364 N MET A 22 5.389 -3.072 2.429 1.00 31.20 N ATOM 365 CA MET A 22 5.045 -3.188 1.014 1.00 35.31 C ATOM 366 C MET A 22 4.784 -1.792 0.444 1.00 20.51 C ATOM 367 O MET A 22 3.950 -1.034 0.970 1.00 74.35 O ATOM 368 CB MET A 22 3.831 -4.131 0.831 1.00 61.42 C ATOM 369 CG MET A 22 3.368 -4.290 -0.625 1.00 70.43 C ATOM 370 SD MET A 22 2.368 -5.771 -0.906 1.00 71.21 S ATOM 371 CE MET A 22 0.857 -5.408 -0.030 1.00 65.54 C ATOM 0 H MET A 22 4.769 -2.456 2.955 1.00 31.20 H new ATOM 0 HA MET A 22 5.875 -3.629 0.462 1.00 35.31 H new ATOM 0 HB2 MET A 22 4.086 -5.114 1.228 1.00 61.42 H new ATOM 0 HB3 MET A 22 2.999 -3.753 1.425 1.00 61.42 H new ATOM 0 HG2 MET A 22 2.791 -3.411 -0.912 1.00 70.43 H new ATOM 0 HG3 MET A 22 4.243 -4.323 -1.275 1.00 70.43 H new ATOM 0 HE1 MET A 22 0.005 -5.759 -0.613 1.00 65.54 H new ATOM 0 HE2 MET A 22 0.867 -5.911 0.937 1.00 65.54 H new ATOM 0 HE3 MET A 22 0.774 -4.332 0.122 1.00 65.54 H new ATOM 381 N ILE A 23 5.568 -1.446 -0.590 1.00 33.23 N ATOM 382 CA ILE A 23 5.446 -0.198 -1.343 1.00 51.42 C ATOM 383 C ILE A 23 4.294 -0.338 -2.353 1.00 70.14 C ATOM 384 O ILE A 23 4.261 -1.290 -3.144 1.00 42.35 O ATOM 385 CB ILE A 23 6.790 0.153 -2.082 1.00 3.12 C ATOM 386 CG1 ILE A 23 7.994 0.156 -1.073 1.00 0.12 C ATOM 387 CG2 ILE A 23 6.680 1.506 -2.835 1.00 15.10 C ATOM 388 CD1 ILE A 23 7.900 1.183 0.048 1.00 32.15 C ATOM 0 H ILE A 23 6.321 -2.044 -0.930 1.00 33.23 H new ATOM 0 HA ILE A 23 5.233 0.617 -0.652 1.00 51.42 H new ATOM 0 HB ILE A 23 6.978 -0.620 -2.827 1.00 3.12 H new ATOM 0 HG12 ILE A 23 8.077 -0.836 -0.629 1.00 0.12 H new ATOM 0 HG13 ILE A 23 8.914 0.334 -1.630 1.00 0.12 H new ATOM 0 HG21 ILE A 23 7.624 1.722 -3.336 1.00 15.10 H new ATOM 0 HG22 ILE A 23 5.882 1.447 -3.575 1.00 15.10 H new ATOM 0 HG23 ILE A 23 6.457 2.301 -2.124 1.00 15.10 H new ATOM 0 HD11 ILE A 23 8.778 1.104 0.689 1.00 32.15 H new ATOM 0 HD12 ILE A 23 7.852 2.185 -0.379 1.00 32.15 H new ATOM 0 HD13 ILE A 23 7.003 0.997 0.638 1.00 32.15 H new ATOM 400 N ILE A 24 3.356 0.612 -2.304 1.00 62.44 N ATOM 401 CA ILE A 24 2.083 0.569 -3.044 1.00 25.13 C ATOM 402 C ILE A 24 1.924 1.860 -3.876 1.00 71.21 C ATOM 403 O ILE A 24 2.472 2.902 -3.514 1.00 74.10 O ATOM 404 CB ILE A 24 0.886 0.419 -2.020 1.00 40.14 C ATOM 405 CG1 ILE A 24 1.058 -0.861 -1.134 1.00 0.20 C ATOM 406 CG2 ILE A 24 -0.488 0.418 -2.728 1.00 72.21 C ATOM 407 CD1 ILE A 24 0.054 -0.979 0.000 1.00 23.32 C ATOM 0 H ILE A 24 3.459 1.453 -1.737 1.00 62.44 H new ATOM 0 HA ILE A 24 2.078 -0.285 -3.721 1.00 25.13 H new ATOM 0 HB ILE A 24 0.913 1.292 -1.368 1.00 40.14 H new ATOM 0 HG12 ILE A 24 0.974 -1.742 -1.770 1.00 0.20 H new ATOM 0 HG13 ILE A 24 2.064 -0.865 -0.714 1.00 0.20 H new ATOM 0 HG21 ILE A 24 -1.280 0.313 -1.986 1.00 72.21 H new ATOM 0 HG22 ILE A 24 -0.619 1.355 -3.269 1.00 72.21 H new ATOM 0 HG23 ILE A 24 -0.535 -0.415 -3.429 1.00 72.21 H new ATOM 0 HD11 ILE A 24 0.246 -1.893 0.562 1.00 23.32 H new ATOM 0 HD12 ILE A 24 0.151 -0.119 0.663 1.00 23.32 H new ATOM 0 HD13 ILE A 24 -0.956 -1.010 -0.410 1.00 23.32 H new ATOM 419 N LYS A 25 1.189 1.774 -4.997 1.00 65.34 N ATOM 420 CA LYS A 25 0.828 2.936 -5.832 1.00 14.34 C ATOM 421 C LYS A 25 -0.698 3.119 -5.825 1.00 63.44 C ATOM 422 O LYS A 25 -1.392 2.477 -6.631 1.00 4.34 O ATOM 423 CB LYS A 25 1.339 2.745 -7.287 1.00 71.11 C ATOM 424 CG LYS A 25 1.015 3.911 -8.261 1.00 50.02 C ATOM 425 CD LYS A 25 1.677 5.246 -7.854 1.00 25.11 C ATOM 426 CE LYS A 25 3.213 5.167 -7.870 1.00 62.44 C ATOM 427 NZ LYS A 25 3.741 4.792 -9.208 1.00 31.43 N ATOM 0 H LYS A 25 0.825 0.890 -5.354 1.00 65.34 H new ATOM 0 HA LYS A 25 1.301 3.828 -5.420 1.00 14.34 H new ATOM 0 HB2 LYS A 25 2.420 2.605 -7.260 1.00 71.11 H new ATOM 0 HB3 LYS A 25 0.909 1.827 -7.688 1.00 71.11 H new ATOM 0 HG2 LYS A 25 1.345 3.640 -9.264 1.00 50.02 H new ATOM 0 HG3 LYS A 25 -0.065 4.048 -8.307 1.00 50.02 H new ATOM 0 HD2 LYS A 25 1.349 6.033 -8.533 1.00 25.11 H new ATOM 0 HD3 LYS A 25 1.341 5.526 -6.856 1.00 25.11 H new ATOM 0 HE2 LYS A 25 3.628 6.131 -7.574 1.00 62.44 H new ATOM 0 HE3 LYS A 25 3.545 4.437 -7.132 1.00 62.44 H new ATOM 0 HZ1 LYS A 25 4.774 4.915 -9.221 1.00 31.43 H new ATOM 0 HZ2 LYS A 25 3.508 3.798 -9.407 1.00 31.43 H new ATOM 0 HZ3 LYS A 25 3.311 5.401 -9.934 1.00 31.43 H new ATOM 441 N PRO A 26 -1.265 3.957 -4.900 1.00 21.41 N ATOM 442 CA PRO A 26 -2.700 4.297 -4.947 1.00 43.14 C ATOM 443 C PRO A 26 -3.018 5.057 -6.257 1.00 2.04 C ATOM 444 O PRO A 26 -2.283 5.982 -6.620 1.00 1.13 O ATOM 445 CB PRO A 26 -2.924 5.163 -3.677 1.00 62.13 C ATOM 446 CG PRO A 26 -1.716 4.913 -2.809 1.00 1.13 C ATOM 447 CD PRO A 26 -0.580 4.639 -3.771 1.00 25.14 C ATOM 0 HA PRO A 26 -3.360 3.430 -4.950 1.00 43.14 H new ATOM 0 HB2 PRO A 26 -3.014 6.219 -3.931 1.00 62.13 H new ATOM 0 HB3 PRO A 26 -3.843 4.879 -3.164 1.00 62.13 H new ATOM 0 HG2 PRO A 26 -1.499 5.776 -2.180 1.00 1.13 H new ATOM 0 HG3 PRO A 26 -1.879 4.066 -2.143 1.00 1.13 H new ATOM 0 HD2 PRO A 26 -0.090 5.558 -4.091 1.00 25.14 H new ATOM 0 HD3 PRO A 26 0.187 4.008 -3.322 1.00 25.14 H new ATOM 455 N LEU A 27 -4.082 4.624 -6.964 1.00 24.14 N ATOM 456 CA LEU A 27 -4.421 5.117 -8.318 1.00 4.30 C ATOM 457 C LEU A 27 -4.774 6.612 -8.308 1.00 55.02 C ATOM 458 O LEU A 27 -4.523 7.313 -9.292 1.00 35.04 O ATOM 459 CB LEU A 27 -5.582 4.289 -8.926 1.00 63.21 C ATOM 460 CG LEU A 27 -5.301 2.768 -9.137 1.00 1.52 C ATOM 461 CD1 LEU A 27 -6.534 2.063 -9.734 1.00 13.10 C ATOM 462 CD2 LEU A 27 -4.038 2.538 -10.005 1.00 32.34 C ATOM 0 H LEU A 27 -4.733 3.921 -6.613 1.00 24.14 H new ATOM 0 HA LEU A 27 -3.536 4.992 -8.942 1.00 4.30 H new ATOM 0 HB2 LEU A 27 -6.453 4.391 -8.278 1.00 63.21 H new ATOM 0 HB3 LEU A 27 -5.848 4.726 -9.888 1.00 63.21 H new ATOM 0 HG LEU A 27 -5.102 2.325 -8.161 1.00 1.52 H new ATOM 0 HD11 LEU A 27 -6.316 1.004 -9.873 1.00 13.10 H new ATOM 0 HD12 LEU A 27 -7.380 2.173 -9.056 1.00 13.10 H new ATOM 0 HD13 LEU A 27 -6.779 2.512 -10.696 1.00 13.10 H new ATOM 0 HD21 LEU A 27 -3.873 1.468 -10.131 1.00 32.34 H new ATOM 0 HD22 LEU A 27 -4.179 3.001 -10.982 1.00 32.34 H new ATOM 0 HD23 LEU A 27 -3.173 2.983 -9.514 1.00 32.34 H new ATOM 474 N ASP A 28 -5.356 7.078 -7.192 1.00 3.14 N ATOM 475 CA ASP A 28 -5.702 8.496 -6.985 1.00 64.43 C ATOM 476 C ASP A 28 -4.431 9.366 -6.853 1.00 34.43 C ATOM 477 O ASP A 28 -4.416 10.536 -7.244 1.00 73.10 O ATOM 478 CB ASP A 28 -6.570 8.638 -5.699 1.00 72.34 C ATOM 479 CG ASP A 28 -6.930 10.106 -5.375 1.00 32.15 C ATOM 480 OD1 ASP A 28 -7.838 10.658 -6.028 1.00 42.23 O ATOM 481 OD2 ASP A 28 -6.296 10.710 -4.470 1.00 34.21 O ATOM 0 H ASP A 28 -5.602 6.480 -6.403 1.00 3.14 H new ATOM 0 HA ASP A 28 -6.264 8.843 -7.852 1.00 64.43 H new ATOM 0 HB2 ASP A 28 -7.488 8.063 -5.821 1.00 72.34 H new ATOM 0 HB3 ASP A 28 -6.033 8.206 -4.855 1.00 72.34 H new ATOM 486 N VAL A 29 -3.361 8.749 -6.360 1.00 61.35 N ATOM 487 CA VAL A 29 -2.146 9.444 -5.923 1.00 3.50 C ATOM 488 C VAL A 29 -1.063 9.454 -7.026 1.00 21.24 C ATOM 489 O VAL A 29 -0.921 8.488 -7.788 1.00 64.40 O ATOM 490 CB VAL A 29 -1.610 8.752 -4.620 1.00 3.13 C ATOM 491 CG1 VAL A 29 -0.271 9.341 -4.153 1.00 1.31 C ATOM 492 CG2 VAL A 29 -2.673 8.838 -3.498 1.00 42.42 C ATOM 0 H VAL A 29 -3.309 7.736 -6.250 1.00 61.35 H new ATOM 0 HA VAL A 29 -2.391 10.486 -5.715 1.00 3.50 H new ATOM 0 HB VAL A 29 -1.424 7.704 -4.857 1.00 3.13 H new ATOM 0 HG11 VAL A 29 0.056 8.828 -3.249 1.00 1.31 H new ATOM 0 HG12 VAL A 29 0.477 9.210 -4.935 1.00 1.31 H new ATOM 0 HG13 VAL A 29 -0.394 10.403 -3.943 1.00 1.31 H new ATOM 0 HG21 VAL A 29 -2.292 8.355 -2.598 1.00 42.42 H new ATOM 0 HG22 VAL A 29 -2.892 9.884 -3.284 1.00 42.42 H new ATOM 0 HG23 VAL A 29 -3.585 8.335 -3.821 1.00 42.42 H new ATOM 502 N ASN A 30 -0.317 10.579 -7.084 1.00 32.03 N ATOM 503 CA ASN A 30 0.795 10.796 -8.036 1.00 21.33 C ATOM 504 C ASN A 30 1.909 11.682 -7.420 1.00 61.12 C ATOM 505 O ASN A 30 3.066 11.603 -7.842 1.00 1.24 O ATOM 506 CB ASN A 30 0.267 11.442 -9.344 1.00 0.44 C ATOM 507 CG ASN A 30 -0.357 12.839 -9.156 1.00 23.42 C ATOM 508 OD1 ASN A 30 -0.908 13.167 -8.102 1.00 53.13 O ATOM 509 ND2 ASN A 30 -0.301 13.665 -10.187 1.00 1.05 N ATOM 0 H ASN A 30 -0.472 11.373 -6.462 1.00 32.03 H new ATOM 0 HA ASN A 30 1.228 9.822 -8.265 1.00 21.33 H new ATOM 0 HB2 ASN A 30 1.089 11.517 -10.056 1.00 0.44 H new ATOM 0 HB3 ASN A 30 -0.478 10.781 -9.787 1.00 0.44 H new ATOM 0 HD21 ASN A 30 -0.718 14.593 -10.120 1.00 1.05 H new ATOM 0 HD22 ASN A 30 0.159 13.374 -11.049 1.00 1.05 H new ATOM 516 N SER A 31 1.550 12.531 -6.438 1.00 41.13 N ATOM 517 CA SER A 31 2.496 13.454 -5.773 1.00 72.02 C ATOM 518 C SER A 31 2.767 13.022 -4.323 1.00 62.13 C ATOM 519 O SER A 31 2.081 12.133 -3.792 1.00 41.55 O ATOM 520 CB SER A 31 1.941 14.894 -5.831 1.00 73.41 C ATOM 521 OG SER A 31 1.592 15.239 -7.157 1.00 3.13 O ATOM 0 H SER A 31 0.597 12.598 -6.082 1.00 41.13 H new ATOM 0 HA SER A 31 3.449 13.422 -6.302 1.00 72.02 H new ATOM 0 HB2 SER A 31 1.067 14.979 -5.185 1.00 73.41 H new ATOM 0 HB3 SER A 31 2.687 15.593 -5.452 1.00 73.41 H new ATOM 0 HG SER A 31 1.241 16.154 -7.175 1.00 3.13 H new ATOM 527 N ARG A 32 3.776 13.670 -3.697 1.00 30.40 N ATOM 528 CA ARG A 32 4.221 13.370 -2.320 1.00 3.11 C ATOM 529 C ARG A 32 3.127 13.718 -1.297 1.00 74.21 C ATOM 530 O ARG A 32 2.887 12.950 -0.365 1.00 2.34 O ATOM 531 CB ARG A 32 5.526 14.155 -1.999 1.00 22.13 C ATOM 532 CG ARG A 32 6.116 13.911 -0.582 1.00 15.42 C ATOM 533 CD ARG A 32 7.412 14.707 -0.341 1.00 55.10 C ATOM 534 NE ARG A 32 7.914 14.587 1.042 1.00 32.14 N ATOM 535 CZ ARG A 32 8.942 15.296 1.545 1.00 11.53 C ATOM 536 NH1 ARG A 32 9.605 16.175 0.804 1.00 33.42 N ATOM 537 NH2 ARG A 32 9.282 15.138 2.811 1.00 40.20 N ATOM 0 H ARG A 32 4.307 14.421 -4.138 1.00 30.40 H new ATOM 0 HA ARG A 32 4.420 12.301 -2.251 1.00 3.11 H new ATOM 0 HB2 ARG A 32 6.281 13.891 -2.739 1.00 22.13 H new ATOM 0 HB3 ARG A 32 5.327 15.221 -2.113 1.00 22.13 H new ATOM 0 HG2 ARG A 32 5.377 14.189 0.169 1.00 15.42 H new ATOM 0 HG3 ARG A 32 6.317 12.847 -0.453 1.00 15.42 H new ATOM 0 HD2 ARG A 32 8.180 14.358 -1.032 1.00 55.10 H new ATOM 0 HD3 ARG A 32 7.233 15.758 -0.567 1.00 55.10 H new ATOM 0 HE ARG A 32 7.450 13.921 1.659 1.00 32.14 H new ATOM 0 HH11 ARG A 32 9.339 16.325 -0.169 1.00 33.42 H new ATOM 0 HH12 ARG A 32 10.381 16.700 1.208 1.00 33.42 H new ATOM 0 HH21 ARG A 32 8.767 14.483 3.399 1.00 40.20 H new ATOM 0 HH22 ARG A 32 10.060 15.671 3.201 1.00 40.20 H new ATOM 551 N GLU A 33 2.479 14.886 -1.494 1.00 72.35 N ATOM 552 CA GLU A 33 1.401 15.374 -0.610 1.00 34.01 C ATOM 553 C GLU A 33 0.109 14.584 -0.837 1.00 23.43 C ATOM 554 O GLU A 33 -0.673 14.392 0.101 1.00 72.44 O ATOM 555 CB GLU A 33 1.171 16.893 -0.813 1.00 50.41 C ATOM 556 CG GLU A 33 2.359 17.766 -0.358 1.00 54.44 C ATOM 557 CD GLU A 33 2.115 19.263 -0.594 1.00 20.11 C ATOM 558 OE1 GLU A 33 2.417 19.750 -1.705 1.00 4.44 O ATOM 559 OE2 GLU A 33 1.595 19.948 0.315 1.00 61.13 O ATOM 0 H GLU A 33 2.688 15.515 -2.269 1.00 72.35 H new ATOM 0 HA GLU A 33 1.710 15.216 0.423 1.00 34.01 H new ATOM 0 HB2 GLU A 33 0.974 17.084 -1.868 1.00 50.41 H new ATOM 0 HB3 GLU A 33 0.279 17.193 -0.263 1.00 50.41 H new ATOM 0 HG2 GLU A 33 2.546 17.595 0.702 1.00 54.44 H new ATOM 0 HG3 GLU A 33 3.257 17.459 -0.894 1.00 54.44 H new ATOM 566 N GLU A 34 -0.088 14.113 -2.085 1.00 54.30 N ATOM 567 CA GLU A 34 -1.209 13.223 -2.429 1.00 35.32 C ATOM 568 C GLU A 34 -1.057 11.866 -1.719 1.00 1.33 C ATOM 569 O GLU A 34 -2.044 11.205 -1.397 1.00 2.55 O ATOM 570 CB GLU A 34 -1.326 13.026 -3.969 1.00 44.42 C ATOM 571 CG GLU A 34 -1.497 14.331 -4.774 1.00 22.30 C ATOM 572 CD GLU A 34 -2.691 15.192 -4.315 1.00 3.43 C ATOM 573 OE1 GLU A 34 -3.838 14.888 -4.708 1.00 70.50 O ATOM 574 OE2 GLU A 34 -2.488 16.162 -3.555 1.00 64.12 O ATOM 0 H GLU A 34 0.520 14.337 -2.873 1.00 54.30 H new ATOM 0 HA GLU A 34 -2.129 13.696 -2.084 1.00 35.32 H new ATOM 0 HB2 GLU A 34 -0.434 12.510 -4.324 1.00 44.42 H new ATOM 0 HB3 GLU A 34 -2.175 12.374 -4.175 1.00 44.42 H new ATOM 0 HG2 GLU A 34 -0.583 14.920 -4.692 1.00 22.30 H new ATOM 0 HG3 GLU A 34 -1.623 14.083 -5.828 1.00 22.30 H new ATOM 581 N ALA A 35 0.204 11.463 -1.495 1.00 65.33 N ATOM 582 CA ALA A 35 0.553 10.250 -0.738 1.00 0.43 C ATOM 583 C ALA A 35 0.509 10.519 0.782 1.00 61.34 C ATOM 584 O ALA A 35 0.153 9.633 1.570 1.00 62.03 O ATOM 585 CB ALA A 35 1.942 9.766 -1.188 1.00 31.22 C ATOM 0 H ALA A 35 1.017 11.975 -1.837 1.00 65.33 H new ATOM 0 HA ALA A 35 -0.177 9.467 -0.941 1.00 0.43 H new ATOM 0 HB1 ALA A 35 2.211 8.867 -0.633 1.00 31.22 H new ATOM 0 HB2 ALA A 35 1.921 9.542 -2.255 1.00 31.22 H new ATOM 0 HB3 ALA A 35 2.679 10.546 -0.995 1.00 31.22 H new ATOM 591 N SER A 36 0.866 11.766 1.170 1.00 43.22 N ATOM 592 CA SER A 36 0.991 12.191 2.579 1.00 75.43 C ATOM 593 C SER A 36 -0.388 12.401 3.220 1.00 13.32 C ATOM 594 O SER A 36 -0.526 12.289 4.440 1.00 43.35 O ATOM 595 CB SER A 36 1.846 13.482 2.684 1.00 51.52 C ATOM 596 OG SER A 36 2.114 13.833 4.035 1.00 53.13 O ATOM 0 H SER A 36 1.077 12.510 0.505 1.00 43.22 H new ATOM 0 HA SER A 36 1.496 11.395 3.127 1.00 75.43 H new ATOM 0 HB2 SER A 36 2.787 13.338 2.153 1.00 51.52 H new ATOM 0 HB3 SER A 36 1.325 14.303 2.192 1.00 51.52 H new ATOM 0 HG SER A 36 2.655 14.649 4.060 1.00 53.13 H new ATOM 602 N LYS A 37 -1.416 12.692 2.397 1.00 3.22 N ATOM 603 CA LYS A 37 -2.804 12.802 2.882 1.00 42.53 C ATOM 604 C LYS A 37 -3.407 11.404 3.170 1.00 4.50 C ATOM 605 O LYS A 37 -4.549 11.299 3.632 1.00 74.01 O ATOM 606 CB LYS A 37 -3.695 13.611 1.891 1.00 32.11 C ATOM 607 CG LYS A 37 -3.854 12.986 0.488 1.00 65.31 C ATOM 608 CD LYS A 37 -4.771 13.821 -0.440 1.00 11.25 C ATOM 609 CE LYS A 37 -4.868 13.242 -1.867 1.00 43.44 C ATOM 610 NZ LYS A 37 -5.297 11.818 -1.880 1.00 51.55 N ATOM 0 H LYS A 37 -1.310 12.855 1.396 1.00 3.22 H new ATOM 0 HA LYS A 37 -2.781 13.354 3.821 1.00 42.53 H new ATOM 0 HB2 LYS A 37 -4.685 13.730 2.332 1.00 32.11 H new ATOM 0 HB3 LYS A 37 -3.273 14.610 1.780 1.00 32.11 H new ATOM 0 HG2 LYS A 37 -2.872 12.886 0.026 1.00 65.31 H new ATOM 0 HG3 LYS A 37 -4.264 11.981 0.587 1.00 65.31 H new ATOM 0 HD2 LYS A 37 -5.769 13.872 -0.005 1.00 11.25 H new ATOM 0 HD3 LYS A 37 -4.393 14.842 -0.492 1.00 11.25 H new ATOM 0 HE2 LYS A 37 -5.574 13.835 -2.448 1.00 43.44 H new ATOM 0 HE3 LYS A 37 -3.898 13.330 -2.357 1.00 43.44 H new ATOM 0 HZ1 LYS A 37 -5.606 11.557 -2.838 1.00 51.55 H new ATOM 0 HZ2 LYS A 37 -4.500 11.213 -1.597 1.00 51.55 H new ATOM 0 HZ3 LYS A 37 -6.085 11.687 -1.214 1.00 51.55 H new ATOM 624 N LEU A 38 -2.622 10.330 2.916 1.00 60.24 N ATOM 625 CA LEU A 38 -3.039 8.942 3.181 1.00 74.44 C ATOM 626 C LEU A 38 -2.283 8.315 4.367 1.00 44.50 C ATOM 627 O LEU A 38 -2.411 7.105 4.594 1.00 72.00 O ATOM 628 CB LEU A 38 -2.876 8.063 1.908 1.00 3.24 C ATOM 629 CG LEU A 38 -3.722 8.480 0.662 1.00 41.42 C ATOM 630 CD1 LEU A 38 -3.741 7.358 -0.398 1.00 72.35 C ATOM 631 CD2 LEU A 38 -5.154 8.903 1.066 1.00 43.21 C ATOM 0 H LEU A 38 -1.684 10.407 2.522 1.00 60.24 H new ATOM 0 HA LEU A 38 -4.093 8.978 3.455 1.00 74.44 H new ATOM 0 HB2 LEU A 38 -1.824 8.066 1.623 1.00 3.24 H new ATOM 0 HB3 LEU A 38 -3.133 7.036 2.167 1.00 3.24 H new ATOM 0 HG LEU A 38 -3.243 9.350 0.213 1.00 41.42 H new ATOM 0 HD11 LEU A 38 -4.337 7.676 -1.254 1.00 72.35 H new ATOM 0 HD12 LEU A 38 -2.722 7.148 -0.723 1.00 72.35 H new ATOM 0 HD13 LEU A 38 -4.177 6.457 0.033 1.00 72.35 H new ATOM 0 HD21 LEU A 38 -5.715 9.187 0.175 1.00 43.21 H new ATOM 0 HD22 LEU A 38 -5.654 8.070 1.559 1.00 43.21 H new ATOM 0 HD23 LEU A 38 -5.104 9.751 1.749 1.00 43.21 H new ATOM 643 N ILE A 39 -1.543 9.121 5.153 1.00 65.12 N ATOM 644 CA ILE A 39 -0.880 8.622 6.380 1.00 52.13 C ATOM 645 C ILE A 39 -1.954 8.287 7.446 1.00 10.34 C ATOM 646 O ILE A 39 -2.833 9.108 7.739 1.00 10.54 O ATOM 647 CB ILE A 39 0.171 9.652 6.963 1.00 13.42 C ATOM 648 CG1 ILE A 39 1.259 10.013 5.899 1.00 23.22 C ATOM 649 CG2 ILE A 39 0.842 9.118 8.265 1.00 14.30 C ATOM 650 CD1 ILE A 39 2.075 8.836 5.385 1.00 45.55 C ATOM 0 H ILE A 39 -1.388 10.112 4.965 1.00 65.12 H new ATOM 0 HA ILE A 39 -0.324 7.723 6.114 1.00 52.13 H new ATOM 0 HB ILE A 39 -0.378 10.559 7.217 1.00 13.42 H new ATOM 0 HG12 ILE A 39 0.771 10.494 5.052 1.00 23.22 H new ATOM 0 HG13 ILE A 39 1.940 10.745 6.332 1.00 23.22 H new ATOM 0 HG21 ILE A 39 1.557 9.854 8.634 1.00 14.30 H new ATOM 0 HG22 ILE A 39 0.078 8.943 9.022 1.00 14.30 H new ATOM 0 HG23 ILE A 39 1.361 8.184 8.050 1.00 14.30 H new ATOM 0 HD11 ILE A 39 2.801 9.189 4.653 1.00 45.55 H new ATOM 0 HD12 ILE A 39 2.598 8.365 6.217 1.00 45.55 H new ATOM 0 HD13 ILE A 39 1.411 8.110 4.916 1.00 45.55 H new ATOM 662 N GLY A 40 -1.906 7.045 7.969 1.00 11.51 N ATOM 663 CA GLY A 40 -2.853 6.568 8.981 1.00 53.25 C ATOM 664 C GLY A 40 -3.973 5.714 8.401 1.00 43.14 C ATOM 665 O GLY A 40 -4.800 5.185 9.159 1.00 23.10 O ATOM 0 H GLY A 40 -1.209 6.351 7.698 1.00 11.51 H new ATOM 0 HA2 GLY A 40 -2.313 5.988 9.729 1.00 53.25 H new ATOM 0 HA3 GLY A 40 -3.288 7.425 9.495 1.00 53.25 H new ATOM 669 N ARG A 41 -3.999 5.564 7.061 1.00 63.45 N ATOM 670 CA ARG A 41 -5.057 4.814 6.356 1.00 75.51 C ATOM 671 C ARG A 41 -4.785 3.307 6.437 1.00 25.40 C ATOM 672 O ARG A 41 -3.643 2.866 6.279 1.00 34.14 O ATOM 673 CB ARG A 41 -5.192 5.297 4.875 1.00 41.41 C ATOM 674 CG ARG A 41 -6.063 6.568 4.681 1.00 33.04 C ATOM 675 CD ARG A 41 -5.623 7.753 5.566 1.00 62.42 C ATOM 676 NE ARG A 41 -6.517 8.907 5.472 1.00 55.53 N ATOM 677 CZ ARG A 41 -6.444 9.993 6.258 1.00 64.21 C ATOM 678 NH1 ARG A 41 -5.518 10.107 7.207 1.00 15.33 N ATOM 679 NH2 ARG A 41 -7.318 10.957 6.104 1.00 21.13 N ATOM 0 H ARG A 41 -3.291 5.957 6.441 1.00 63.45 H new ATOM 0 HA ARG A 41 -6.010 5.010 6.848 1.00 75.51 H new ATOM 0 HB2 ARG A 41 -4.195 5.493 4.479 1.00 41.41 H new ATOM 0 HB3 ARG A 41 -5.617 4.488 4.281 1.00 41.41 H new ATOM 0 HG2 ARG A 41 -6.023 6.871 3.635 1.00 33.04 H new ATOM 0 HG3 ARG A 41 -7.102 6.325 4.903 1.00 33.04 H new ATOM 0 HD2 ARG A 41 -5.573 7.424 6.604 1.00 62.42 H new ATOM 0 HD3 ARG A 41 -4.616 8.057 5.280 1.00 62.42 H new ATOM 0 HE ARG A 41 -7.247 8.885 4.760 1.00 55.53 H new ATOM 0 HH11 ARG A 41 -4.841 9.358 7.351 1.00 15.33 H new ATOM 0 HH12 ARG A 41 -5.485 10.943 7.790 1.00 15.33 H new ATOM 0 HH21 ARG A 41 -8.045 10.878 5.392 1.00 21.13 H new ATOM 0 HH22 ARG A 41 -7.272 11.787 6.696 1.00 21.13 H new ATOM 693 N LEU A 42 -5.862 2.542 6.654 1.00 1.43 N ATOM 694 CA LEU A 42 -5.813 1.099 6.897 1.00 63.05 C ATOM 695 C LEU A 42 -5.913 0.370 5.554 1.00 3.31 C ATOM 696 O LEU A 42 -6.950 0.433 4.879 1.00 32.24 O ATOM 697 CB LEU A 42 -6.997 0.701 7.821 1.00 20.41 C ATOM 698 CG LEU A 42 -7.148 -0.820 8.167 1.00 41.43 C ATOM 699 CD1 LEU A 42 -6.033 -1.312 9.118 1.00 3.32 C ATOM 700 CD2 LEU A 42 -8.553 -1.117 8.729 1.00 54.12 C ATOM 0 H LEU A 42 -6.810 2.919 6.665 1.00 1.43 H new ATOM 0 HA LEU A 42 -4.878 0.824 7.384 1.00 63.05 H new ATOM 0 HB2 LEU A 42 -6.898 1.253 8.756 1.00 20.41 H new ATOM 0 HB3 LEU A 42 -7.922 1.035 7.350 1.00 20.41 H new ATOM 0 HG LEU A 42 -7.034 -1.382 7.240 1.00 41.43 H new ATOM 0 HD11 LEU A 42 -6.177 -2.371 9.331 1.00 3.32 H new ATOM 0 HD12 LEU A 42 -5.061 -1.166 8.646 1.00 3.32 H new ATOM 0 HD13 LEU A 42 -6.073 -0.746 10.049 1.00 3.32 H new ATOM 0 HD21 LEU A 42 -8.635 -2.179 8.962 1.00 54.12 H new ATOM 0 HD22 LEU A 42 -8.713 -0.533 9.635 1.00 54.12 H new ATOM 0 HD23 LEU A 42 -9.306 -0.849 7.987 1.00 54.12 H new ATOM 712 N VAL A 43 -4.834 -0.314 5.166 1.00 60.31 N ATOM 713 CA VAL A 43 -4.741 -1.001 3.878 1.00 32.44 C ATOM 714 C VAL A 43 -5.060 -2.490 4.067 1.00 53.54 C ATOM 715 O VAL A 43 -4.310 -3.209 4.731 1.00 74.42 O ATOM 716 CB VAL A 43 -3.304 -0.846 3.261 1.00 1.23 C ATOM 717 CG1 VAL A 43 -3.236 -1.472 1.851 1.00 12.05 C ATOM 718 CG2 VAL A 43 -2.859 0.635 3.242 1.00 71.33 C ATOM 0 H VAL A 43 -3.996 -0.407 5.741 1.00 60.31 H new ATOM 0 HA VAL A 43 -5.461 -0.551 3.194 1.00 32.44 H new ATOM 0 HB VAL A 43 -2.607 -1.389 3.899 1.00 1.23 H new ATOM 0 HG11 VAL A 43 -2.231 -1.351 1.447 1.00 12.05 H new ATOM 0 HG12 VAL A 43 -3.477 -2.533 1.912 1.00 12.05 H new ATOM 0 HG13 VAL A 43 -3.952 -0.974 1.197 1.00 12.05 H new ATOM 0 HG21 VAL A 43 -1.861 0.710 2.810 1.00 71.33 H new ATOM 0 HG22 VAL A 43 -3.559 1.217 2.643 1.00 71.33 H new ATOM 0 HG23 VAL A 43 -2.843 1.023 4.260 1.00 71.33 H new ATOM 728 N LEU A 44 -6.167 -2.941 3.476 1.00 72.14 N ATOM 729 CA LEU A 44 -6.580 -4.350 3.492 1.00 13.23 C ATOM 730 C LEU A 44 -6.206 -4.973 2.148 1.00 70.34 C ATOM 731 O LEU A 44 -6.899 -4.758 1.148 1.00 34.12 O ATOM 732 CB LEU A 44 -8.116 -4.464 3.731 1.00 2.43 C ATOM 733 CG LEU A 44 -8.691 -3.669 4.946 1.00 71.43 C ATOM 734 CD1 LEU A 44 -10.206 -3.902 5.100 1.00 70.15 C ATOM 735 CD2 LEU A 44 -7.934 -3.996 6.247 1.00 3.02 C ATOM 0 H LEU A 44 -6.810 -2.335 2.967 1.00 72.14 H new ATOM 0 HA LEU A 44 -6.075 -4.876 4.302 1.00 13.23 H new ATOM 0 HB2 LEU A 44 -8.628 -4.127 2.829 1.00 2.43 H new ATOM 0 HB3 LEU A 44 -8.364 -5.517 3.864 1.00 2.43 H new ATOM 0 HG LEU A 44 -8.541 -2.609 4.744 1.00 71.43 H new ATOM 0 HD11 LEU A 44 -10.576 -3.335 5.954 1.00 70.15 H new ATOM 0 HD12 LEU A 44 -10.719 -3.573 4.196 1.00 70.15 H new ATOM 0 HD13 LEU A 44 -10.397 -4.963 5.259 1.00 70.15 H new ATOM 0 HD21 LEU A 44 -8.362 -3.424 7.070 1.00 3.02 H new ATOM 0 HD22 LEU A 44 -8.021 -5.061 6.461 1.00 3.02 H new ATOM 0 HD23 LEU A 44 -6.882 -3.734 6.132 1.00 3.02 H new ATOM 747 N TRP A 45 -5.089 -5.702 2.110 1.00 12.43 N ATOM 748 CA TRP A 45 -4.671 -6.447 0.916 1.00 22.03 C ATOM 749 C TRP A 45 -4.978 -7.929 1.123 1.00 55.51 C ATOM 750 O TRP A 45 -4.641 -8.495 2.155 1.00 64.22 O ATOM 751 CB TRP A 45 -3.168 -6.251 0.619 1.00 72.52 C ATOM 752 CG TRP A 45 -2.719 -6.956 -0.653 1.00 60.44 C ATOM 753 CD1 TRP A 45 -3.142 -6.697 -1.928 1.00 52.24 C ATOM 754 CD2 TRP A 45 -1.800 -8.052 -0.768 1.00 73.14 C ATOM 755 NE1 TRP A 45 -2.511 -7.515 -2.817 1.00 65.13 N ATOM 756 CE2 TRP A 45 -1.689 -8.362 -2.138 1.00 72.34 C ATOM 757 CE3 TRP A 45 -1.053 -8.782 0.142 1.00 65.21 C ATOM 758 CZ2 TRP A 45 -0.870 -9.373 -2.612 1.00 0.14 C ATOM 759 CZ3 TRP A 45 -0.237 -9.792 -0.326 1.00 35.15 C ATOM 760 CH2 TRP A 45 -0.147 -10.076 -1.691 1.00 32.22 C ATOM 0 H TRP A 45 -4.450 -5.794 2.900 1.00 12.43 H new ATOM 0 HA TRP A 45 -5.224 -6.066 0.058 1.00 22.03 H new ATOM 0 HB2 TRP A 45 -2.956 -5.185 0.532 1.00 72.52 H new ATOM 0 HB3 TRP A 45 -2.585 -6.624 1.461 1.00 72.52 H new ATOM 0 HD1 TRP A 45 -3.874 -5.949 -2.193 1.00 52.24 H new ATOM 0 HE1 TRP A 45 -2.635 -7.496 -3.829 1.00 65.13 H new ATOM 0 HE3 TRP A 45 -1.108 -8.565 1.198 1.00 65.21 H new ATOM 0 HZ2 TRP A 45 -0.806 -9.596 -3.667 1.00 0.14 H new ATOM 0 HZ3 TRP A 45 0.343 -10.373 0.376 1.00 35.15 H new ATOM 0 HH2 TRP A 45 0.508 -10.868 -2.025 1.00 32.22 H new ATOM 771 N LYS A 46 -5.609 -8.539 0.131 1.00 10.34 N ATOM 772 CA LYS A 46 -5.876 -9.969 0.110 1.00 2.50 C ATOM 773 C LYS A 46 -4.716 -10.660 -0.610 1.00 30.22 C ATOM 774 O LYS A 46 -4.355 -10.268 -1.724 1.00 62.42 O ATOM 775 CB LYS A 46 -7.230 -10.249 -0.592 1.00 12.13 C ATOM 776 CG LYS A 46 -7.535 -11.745 -0.861 1.00 52.31 C ATOM 777 CD LYS A 46 -8.946 -11.992 -1.447 1.00 2.12 C ATOM 778 CE LYS A 46 -9.225 -11.188 -2.735 1.00 22.15 C ATOM 779 NZ LYS A 46 -8.227 -11.451 -3.806 1.00 75.35 N ATOM 0 H LYS A 46 -5.955 -8.048 -0.693 1.00 10.34 H new ATOM 0 HA LYS A 46 -5.952 -10.361 1.124 1.00 2.50 H new ATOM 0 HB2 LYS A 46 -8.031 -9.835 0.020 1.00 12.13 H new ATOM 0 HB3 LYS A 46 -7.246 -9.714 -1.542 1.00 12.13 H new ATOM 0 HG2 LYS A 46 -6.790 -12.141 -1.550 1.00 52.31 H new ATOM 0 HG3 LYS A 46 -7.435 -12.301 0.071 1.00 52.31 H new ATOM 0 HD2 LYS A 46 -9.062 -13.055 -1.659 1.00 2.12 H new ATOM 0 HD3 LYS A 46 -9.693 -11.733 -0.697 1.00 2.12 H new ATOM 0 HE2 LYS A 46 -10.221 -11.435 -3.104 1.00 22.15 H new ATOM 0 HE3 LYS A 46 -9.227 -10.124 -2.500 1.00 22.15 H new ATOM 0 HZ1 LYS A 46 -8.463 -10.886 -4.647 1.00 75.35 H new ATOM 0 HZ2 LYS A 46 -7.279 -11.190 -3.468 1.00 75.35 H new ATOM 0 HZ3 LYS A 46 -8.241 -12.461 -4.053 1.00 75.35 H new ATOM 793 N SER A 47 -4.114 -11.664 0.045 1.00 53.11 N ATOM 794 CA SER A 47 -3.074 -12.493 -0.566 1.00 12.21 C ATOM 795 C SER A 47 -3.718 -13.446 -1.597 1.00 50.20 C ATOM 796 O SER A 47 -4.833 -13.942 -1.353 1.00 51.04 O ATOM 797 CB SER A 47 -2.318 -13.275 0.533 1.00 44.14 C ATOM 798 OG SER A 47 -3.186 -14.124 1.254 1.00 43.12 O ATOM 0 H SER A 47 -4.335 -11.920 1.007 1.00 53.11 H new ATOM 0 HA SER A 47 -2.352 -11.864 -1.087 1.00 12.21 H new ATOM 0 HB2 SER A 47 -1.523 -13.867 0.079 1.00 44.14 H new ATOM 0 HB3 SER A 47 -1.842 -12.573 1.218 1.00 44.14 H new ATOM 0 HG SER A 47 -2.689 -14.908 1.570 1.00 43.12 H new ATOM 804 N PRO A 48 -3.048 -13.702 -2.779 1.00 65.10 N ATOM 805 CA PRO A 48 -3.594 -14.576 -3.865 1.00 4.11 C ATOM 806 C PRO A 48 -3.990 -15.995 -3.388 1.00 4.11 C ATOM 807 O PRO A 48 -4.828 -16.652 -4.020 1.00 50.50 O ATOM 808 CB PRO A 48 -2.453 -14.620 -4.921 1.00 43.30 C ATOM 809 CG PRO A 48 -1.228 -14.128 -4.200 1.00 55.55 C ATOM 810 CD PRO A 48 -1.726 -13.136 -3.173 1.00 72.31 C ATOM 0 HA PRO A 48 -4.529 -14.176 -4.258 1.00 4.11 H new ATOM 0 HB2 PRO A 48 -2.307 -15.631 -5.301 1.00 43.30 H new ATOM 0 HB3 PRO A 48 -2.685 -13.988 -5.778 1.00 43.30 H new ATOM 0 HG2 PRO A 48 -0.698 -14.952 -3.723 1.00 55.55 H new ATOM 0 HG3 PRO A 48 -0.529 -13.657 -4.892 1.00 55.55 H new ATOM 0 HD2 PRO A 48 -1.049 -13.061 -2.322 1.00 72.31 H new ATOM 0 HD3 PRO A 48 -1.824 -12.135 -3.592 1.00 72.31 H new ATOM 818 N SER A 49 -3.382 -16.443 -2.273 1.00 65.44 N ATOM 819 CA SER A 49 -3.711 -17.723 -1.622 1.00 23.20 C ATOM 820 C SER A 49 -5.166 -17.715 -1.089 1.00 74.53 C ATOM 821 O SER A 49 -5.965 -18.600 -1.434 1.00 44.22 O ATOM 822 CB SER A 49 -2.722 -17.980 -0.469 1.00 54.21 C ATOM 823 OG SER A 49 -1.374 -17.890 -0.908 1.00 75.51 O ATOM 0 H SER A 49 -2.645 -15.923 -1.797 1.00 65.44 H new ATOM 0 HA SER A 49 -3.628 -18.523 -2.358 1.00 23.20 H new ATOM 0 HB2 SER A 49 -2.895 -17.257 0.328 1.00 54.21 H new ATOM 0 HB3 SER A 49 -2.903 -18.969 -0.047 1.00 54.21 H new ATOM 0 HG SER A 49 -0.772 -18.056 -0.153 1.00 75.51 H new ATOM 829 N GLY A 50 -5.494 -16.703 -0.256 1.00 25.41 N ATOM 830 CA GLY A 50 -6.845 -16.565 0.324 1.00 42.12 C ATOM 831 C GLY A 50 -6.844 -16.047 1.759 1.00 63.40 C ATOM 832 O GLY A 50 -7.718 -16.421 2.552 1.00 74.53 O ATOM 0 H GLY A 50 -4.842 -15.972 0.028 1.00 25.41 H new ATOM 0 HA2 GLY A 50 -7.431 -15.888 -0.297 1.00 42.12 H new ATOM 0 HA3 GLY A 50 -7.344 -17.534 0.297 1.00 42.12 H new ATOM 836 N LYS A 51 -5.862 -15.189 2.099 1.00 15.34 N ATOM 837 CA LYS A 51 -5.802 -14.482 3.408 1.00 73.01 C ATOM 838 C LYS A 51 -5.963 -12.973 3.184 1.00 35.53 C ATOM 839 O LYS A 51 -6.034 -12.516 2.045 1.00 3.23 O ATOM 840 CB LYS A 51 -4.457 -14.783 4.151 1.00 12.21 C ATOM 841 CG LYS A 51 -4.202 -16.272 4.541 1.00 40.13 C ATOM 842 CD LYS A 51 -4.893 -16.735 5.865 1.00 73.34 C ATOM 843 CE LYS A 51 -6.428 -16.886 5.771 1.00 33.42 C ATOM 844 NZ LYS A 51 -6.838 -17.883 4.746 1.00 22.35 N ATOM 0 H LYS A 51 -5.085 -14.962 1.479 1.00 15.34 H new ATOM 0 HA LYS A 51 -6.616 -14.843 4.036 1.00 73.01 H new ATOM 0 HB2 LYS A 51 -3.634 -14.449 3.519 1.00 12.21 H new ATOM 0 HB3 LYS A 51 -4.425 -14.181 5.059 1.00 12.21 H new ATOM 0 HG2 LYS A 51 -4.547 -16.909 3.727 1.00 40.13 H new ATOM 0 HG3 LYS A 51 -3.127 -16.428 4.636 1.00 40.13 H new ATOM 0 HD2 LYS A 51 -4.465 -17.691 6.168 1.00 73.34 H new ATOM 0 HD3 LYS A 51 -4.659 -16.018 6.652 1.00 73.34 H new ATOM 0 HE2 LYS A 51 -6.821 -17.185 6.743 1.00 33.42 H new ATOM 0 HE3 LYS A 51 -6.871 -15.919 5.532 1.00 33.42 H new ATOM 0 HZ1 LYS A 51 -7.297 -17.395 3.951 1.00 22.35 H new ATOM 0 HZ2 LYS A 51 -5.999 -18.392 4.401 1.00 22.35 H new ATOM 0 HZ3 LYS A 51 -7.505 -18.561 5.168 1.00 22.35 H new ATOM 858 N ILE A 52 -6.064 -12.217 4.283 1.00 1.40 N ATOM 859 CA ILE A 52 -6.134 -10.745 4.264 1.00 74.22 C ATOM 860 C ILE A 52 -5.015 -10.193 5.163 1.00 4.52 C ATOM 861 O ILE A 52 -5.072 -10.305 6.396 1.00 4.41 O ATOM 862 CB ILE A 52 -7.536 -10.203 4.754 1.00 2.43 C ATOM 863 CG1 ILE A 52 -8.700 -10.792 3.886 1.00 23.10 C ATOM 864 CG2 ILE A 52 -7.566 -8.645 4.750 1.00 40.42 C ATOM 865 CD1 ILE A 52 -10.097 -10.449 4.379 1.00 21.41 C ATOM 0 H ILE A 52 -6.100 -12.611 5.223 1.00 1.40 H new ATOM 0 HA ILE A 52 -6.007 -10.408 3.235 1.00 74.22 H new ATOM 0 HB ILE A 52 -7.684 -10.536 5.781 1.00 2.43 H new ATOM 0 HG12 ILE A 52 -8.591 -10.430 2.864 1.00 23.10 H new ATOM 0 HG13 ILE A 52 -8.597 -11.877 3.853 1.00 23.10 H new ATOM 0 HG21 ILE A 52 -8.542 -8.299 5.091 1.00 40.42 H new ATOM 0 HG22 ILE A 52 -6.792 -8.264 5.417 1.00 40.42 H new ATOM 0 HG23 ILE A 52 -7.385 -8.280 3.739 1.00 40.42 H new ATOM 0 HD11 ILE A 52 -10.837 -10.899 3.717 1.00 21.41 H new ATOM 0 HD12 ILE A 52 -10.231 -10.835 5.389 1.00 21.41 H new ATOM 0 HD13 ILE A 52 -10.225 -9.367 4.384 1.00 21.41 H new ATOM 877 N LEU A 53 -3.964 -9.671 4.530 1.00 44.32 N ATOM 878 CA LEU A 53 -2.880 -8.970 5.213 1.00 15.12 C ATOM 879 C LEU A 53 -3.314 -7.512 5.434 1.00 53.12 C ATOM 880 O LEU A 53 -3.450 -6.749 4.476 1.00 60.53 O ATOM 881 CB LEU A 53 -1.575 -9.042 4.373 1.00 74.33 C ATOM 882 CG LEU A 53 -1.178 -10.460 3.838 1.00 71.51 C ATOM 883 CD1 LEU A 53 0.201 -10.427 3.172 1.00 3.45 C ATOM 884 CD2 LEU A 53 -1.248 -11.548 4.935 1.00 3.54 C ATOM 0 H LEU A 53 -3.841 -9.724 3.519 1.00 44.32 H new ATOM 0 HA LEU A 53 -2.675 -9.440 6.175 1.00 15.12 H new ATOM 0 HB2 LEU A 53 -1.678 -8.370 3.521 1.00 74.33 H new ATOM 0 HB3 LEU A 53 -0.754 -8.662 4.981 1.00 74.33 H new ATOM 0 HG LEU A 53 -1.915 -10.733 3.083 1.00 71.51 H new ATOM 0 HD11 LEU A 53 0.454 -11.423 2.809 1.00 3.45 H new ATOM 0 HD12 LEU A 53 0.184 -9.729 2.335 1.00 3.45 H new ATOM 0 HD13 LEU A 53 0.948 -10.105 3.898 1.00 3.45 H new ATOM 0 HD21 LEU A 53 -0.963 -12.511 4.511 1.00 3.54 H new ATOM 0 HD22 LEU A 53 -0.565 -11.292 5.745 1.00 3.54 H new ATOM 0 HD23 LEU A 53 -2.265 -11.609 5.323 1.00 3.54 H new ATOM 896 N LYS A 54 -3.562 -7.153 6.696 1.00 63.34 N ATOM 897 CA LYS A 54 -4.010 -5.805 7.075 1.00 70.43 C ATOM 898 C LYS A 54 -2.787 -4.963 7.465 1.00 30.41 C ATOM 899 O LYS A 54 -1.883 -5.461 8.142 1.00 31.13 O ATOM 900 CB LYS A 54 -5.001 -5.890 8.261 1.00 50.40 C ATOM 901 CG LYS A 54 -6.268 -6.735 7.988 1.00 51.42 C ATOM 902 CD LYS A 54 -7.217 -6.813 9.213 1.00 52.02 C ATOM 903 CE LYS A 54 -7.654 -5.428 9.748 1.00 25.32 C ATOM 904 NZ LYS A 54 -8.580 -5.540 10.908 1.00 3.34 N ATOM 0 H LYS A 54 -3.458 -7.788 7.487 1.00 63.34 H new ATOM 0 HA LYS A 54 -4.520 -5.337 6.233 1.00 70.43 H new ATOM 0 HB2 LYS A 54 -4.480 -6.309 9.122 1.00 50.40 H new ATOM 0 HB3 LYS A 54 -5.307 -4.880 8.534 1.00 50.40 H new ATOM 0 HG2 LYS A 54 -6.808 -6.308 7.143 1.00 51.42 H new ATOM 0 HG3 LYS A 54 -5.971 -7.743 7.700 1.00 51.42 H new ATOM 0 HD2 LYS A 54 -8.104 -7.384 8.939 1.00 52.02 H new ATOM 0 HD3 LYS A 54 -6.720 -7.362 10.013 1.00 52.02 H new ATOM 0 HE2 LYS A 54 -6.772 -4.860 10.043 1.00 25.32 H new ATOM 0 HE3 LYS A 54 -8.141 -4.869 8.949 1.00 25.32 H new ATOM 0 HZ1 LYS A 54 -8.846 -4.589 11.233 1.00 3.34 H new ATOM 0 HZ2 LYS A 54 -9.434 -6.060 10.621 1.00 3.34 H new ATOM 0 HZ3 LYS A 54 -8.108 -6.050 11.681 1.00 3.34 H new ATOM 918 N GLY A 55 -2.783 -3.695 7.052 1.00 11.44 N ATOM 919 CA GLY A 55 -1.634 -2.807 7.233 1.00 23.42 C ATOM 920 C GLY A 55 -2.043 -1.353 7.341 1.00 44.03 C ATOM 921 O GLY A 55 -3.230 -1.050 7.456 1.00 40.21 O ATOM 0 H GLY A 55 -3.575 -3.255 6.583 1.00 11.44 H new ATOM 0 HA2 GLY A 55 -1.091 -3.097 8.133 1.00 23.42 H new ATOM 0 HA3 GLY A 55 -0.948 -2.928 6.394 1.00 23.42 H new ATOM 925 N LYS A 56 -1.051 -0.452 7.327 1.00 43.13 N ATOM 926 CA LYS A 56 -1.282 0.997 7.465 1.00 43.01 C ATOM 927 C LYS A 56 -0.177 1.774 6.751 1.00 52.12 C ATOM 928 O LYS A 56 1.000 1.453 6.920 1.00 10.11 O ATOM 929 CB LYS A 56 -1.319 1.388 8.968 1.00 44.23 C ATOM 930 CG LYS A 56 -1.585 2.892 9.246 1.00 71.31 C ATOM 931 CD LYS A 56 -1.561 3.244 10.752 1.00 52.21 C ATOM 932 CE LYS A 56 -2.621 2.476 11.566 1.00 41.22 C ATOM 933 NZ LYS A 56 -2.556 2.816 13.009 1.00 30.43 N ATOM 0 H LYS A 56 -0.068 -0.703 7.220 1.00 43.13 H new ATOM 0 HA LYS A 56 -2.240 1.247 7.010 1.00 43.01 H new ATOM 0 HB2 LYS A 56 -2.092 0.800 9.462 1.00 44.23 H new ATOM 0 HB3 LYS A 56 -0.368 1.112 9.424 1.00 44.23 H new ATOM 0 HG2 LYS A 56 -0.835 3.489 8.727 1.00 71.31 H new ATOM 0 HG3 LYS A 56 -2.555 3.166 8.830 1.00 71.31 H new ATOM 0 HD2 LYS A 56 -0.572 3.025 11.155 1.00 52.21 H new ATOM 0 HD3 LYS A 56 -1.724 4.315 10.872 1.00 52.21 H new ATOM 0 HE2 LYS A 56 -3.614 2.708 11.182 1.00 41.22 H new ATOM 0 HE3 LYS A 56 -2.472 1.404 11.437 1.00 41.22 H new ATOM 0 HZ1 LYS A 56 -3.283 2.281 13.525 1.00 30.43 H new ATOM 0 HZ2 LYS A 56 -1.616 2.571 13.381 1.00 30.43 H new ATOM 0 HZ3 LYS A 56 -2.723 3.835 13.133 1.00 30.43 H new ATOM 947 N ILE A 57 -0.565 2.799 5.963 1.00 15.41 N ATOM 948 CA ILE A 57 0.386 3.729 5.325 1.00 55.32 C ATOM 949 C ILE A 57 1.035 4.603 6.420 1.00 51.50 C ATOM 950 O ILE A 57 0.432 5.561 6.904 1.00 51.21 O ATOM 951 CB ILE A 57 -0.317 4.640 4.249 1.00 71.24 C ATOM 952 CG1 ILE A 57 -1.023 3.759 3.168 1.00 61.52 C ATOM 953 CG2 ILE A 57 0.690 5.634 3.599 1.00 31.52 C ATOM 954 CD1 ILE A 57 -1.882 4.523 2.173 1.00 43.04 C ATOM 0 H ILE A 57 -1.542 3.003 5.753 1.00 15.41 H new ATOM 0 HA ILE A 57 1.146 3.146 4.805 1.00 55.32 H new ATOM 0 HB ILE A 57 -1.077 5.237 4.754 1.00 71.24 H new ATOM 0 HG12 ILE A 57 -0.261 3.207 2.618 1.00 61.52 H new ATOM 0 HG13 ILE A 57 -1.648 3.023 3.673 1.00 61.52 H new ATOM 0 HG21 ILE A 57 0.172 6.247 2.862 1.00 31.52 H new ATOM 0 HG22 ILE A 57 1.116 6.276 4.370 1.00 31.52 H new ATOM 0 HG23 ILE A 57 1.488 5.076 3.110 1.00 31.52 H new ATOM 0 HD11 ILE A 57 -2.328 3.824 1.465 1.00 43.04 H new ATOM 0 HD12 ILE A 57 -2.671 5.053 2.706 1.00 43.04 H new ATOM 0 HD13 ILE A 57 -1.263 5.240 1.634 1.00 43.04 H new ATOM 966 N VAL A 58 2.242 4.214 6.843 1.00 43.40 N ATOM 967 CA VAL A 58 2.958 4.868 7.960 1.00 23.22 C ATOM 968 C VAL A 58 3.811 6.045 7.455 1.00 64.45 C ATOM 969 O VAL A 58 3.956 7.062 8.140 1.00 14.03 O ATOM 970 CB VAL A 58 3.846 3.826 8.741 1.00 52.12 C ATOM 971 CG1 VAL A 58 2.957 2.713 9.357 1.00 33.05 C ATOM 972 CG2 VAL A 58 4.951 3.221 7.835 1.00 45.21 C ATOM 0 H VAL A 58 2.756 3.438 6.426 1.00 43.40 H new ATOM 0 HA VAL A 58 2.214 5.265 8.650 1.00 23.22 H new ATOM 0 HB VAL A 58 4.349 4.355 9.550 1.00 52.12 H new ATOM 0 HG11 VAL A 58 3.585 2.001 9.893 1.00 33.05 H new ATOM 0 HG12 VAL A 58 2.242 3.159 10.049 1.00 33.05 H new ATOM 0 HG13 VAL A 58 2.419 2.196 8.563 1.00 33.05 H new ATOM 0 HG21 VAL A 58 5.542 2.507 8.409 1.00 45.21 H new ATOM 0 HG22 VAL A 58 4.489 2.712 6.989 1.00 45.21 H new ATOM 0 HG23 VAL A 58 5.599 4.018 7.470 1.00 45.21 H new ATOM 982 N ARG A 59 4.341 5.900 6.235 1.00 62.22 N ATOM 983 CA ARG A 59 5.231 6.888 5.620 1.00 54.12 C ATOM 984 C ARG A 59 5.020 6.849 4.103 1.00 31.34 C ATOM 985 O ARG A 59 4.336 5.962 3.592 1.00 15.31 O ATOM 986 CB ARG A 59 6.718 6.592 6.028 1.00 4.34 C ATOM 987 CG ARG A 59 7.742 7.714 5.695 1.00 3.04 C ATOM 988 CD ARG A 59 7.335 9.088 6.273 1.00 13.14 C ATOM 989 NE ARG A 59 7.045 9.014 7.720 1.00 32.14 N ATOM 990 CZ ARG A 59 6.054 9.663 8.357 1.00 54.01 C ATOM 991 NH1 ARG A 59 5.218 10.465 7.703 1.00 15.41 N ATOM 992 NH2 ARG A 59 5.895 9.489 9.657 1.00 42.35 N ATOM 0 H ARG A 59 4.162 5.088 5.644 1.00 62.22 H new ATOM 0 HA ARG A 59 5.002 7.894 5.972 1.00 54.12 H new ATOM 0 HB2 ARG A 59 6.751 6.402 7.101 1.00 4.34 H new ATOM 0 HB3 ARG A 59 7.036 5.675 5.532 1.00 4.34 H new ATOM 0 HG2 ARG A 59 8.720 7.435 6.088 1.00 3.04 H new ATOM 0 HG3 ARG A 59 7.845 7.796 4.613 1.00 3.04 H new ATOM 0 HD2 ARG A 59 8.136 9.806 6.100 1.00 13.14 H new ATOM 0 HD3 ARG A 59 6.456 9.458 5.745 1.00 13.14 H new ATOM 0 HE ARG A 59 7.650 8.418 8.286 1.00 32.14 H new ATOM 0 HH11 ARG A 59 5.321 10.598 6.697 1.00 15.41 H new ATOM 0 HH12 ARG A 59 4.474 10.947 8.208 1.00 15.41 H new ATOM 0 HH21 ARG A 59 6.521 8.867 10.169 1.00 42.35 H new ATOM 0 HH22 ARG A 59 5.146 9.977 10.149 1.00 42.35 H new ATOM 1006 N VAL A 60 5.554 7.850 3.398 1.00 2.21 N ATOM 1007 CA VAL A 60 5.576 7.883 1.927 1.00 51.31 C ATOM 1008 C VAL A 60 6.987 7.519 1.433 1.00 65.43 C ATOM 1009 O VAL A 60 7.932 7.407 2.229 1.00 22.32 O ATOM 1010 CB VAL A 60 5.131 9.294 1.379 1.00 64.33 C ATOM 1011 CG1 VAL A 60 3.747 9.664 1.944 1.00 1.35 C ATOM 1012 CG2 VAL A 60 6.169 10.399 1.693 1.00 61.45 C ATOM 0 H VAL A 60 5.986 8.666 3.831 1.00 2.21 H new ATOM 0 HA VAL A 60 4.863 7.152 1.546 1.00 51.31 H new ATOM 0 HB VAL A 60 5.067 9.223 0.293 1.00 64.33 H new ATOM 0 HG11 VAL A 60 3.447 10.639 1.561 1.00 1.35 H new ATOM 0 HG12 VAL A 60 3.017 8.914 1.639 1.00 1.35 H new ATOM 0 HG13 VAL A 60 3.796 9.701 3.032 1.00 1.35 H new ATOM 0 HG21 VAL A 60 5.818 11.351 1.296 1.00 61.45 H new ATOM 0 HG22 VAL A 60 6.298 10.481 2.772 1.00 61.45 H new ATOM 0 HG23 VAL A 60 7.123 10.143 1.232 1.00 61.45 H new ATOM 1022 N HIS A 61 7.117 7.318 0.127 1.00 34.31 N ATOM 1023 CA HIS A 61 8.407 7.086 -0.533 1.00 63.35 C ATOM 1024 C HIS A 61 8.490 7.987 -1.770 1.00 53.54 C ATOM 1025 O HIS A 61 7.613 7.921 -2.639 1.00 65.51 O ATOM 1026 CB HIS A 61 8.586 5.589 -0.918 1.00 51.25 C ATOM 1027 CG HIS A 61 9.960 5.282 -1.478 1.00 73.10 C ATOM 1028 ND1 HIS A 61 10.275 5.390 -2.818 1.00 42.23 N ATOM 1029 CD2 HIS A 61 11.117 4.932 -0.858 1.00 44.42 C ATOM 1030 CE1 HIS A 61 11.553 5.133 -2.989 1.00 50.03 C ATOM 1031 NE2 HIS A 61 12.085 4.847 -1.821 1.00 14.34 N ATOM 0 H HIS A 61 6.324 7.310 -0.515 1.00 34.31 H new ATOM 0 HA HIS A 61 9.215 7.332 0.156 1.00 63.35 H new ATOM 0 HB2 HIS A 61 8.412 4.970 -0.038 1.00 51.25 H new ATOM 0 HB3 HIS A 61 7.830 5.316 -1.654 1.00 51.25 H new ATOM 0 HD2 HIS A 61 11.248 4.754 0.199 1.00 44.42 H new ATOM 0 HE1 HIS A 61 12.079 5.153 -3.932 1.00 50.03 H new ATOM 0 HE2 HIS A 61 13.062 4.601 -1.659 1.00 14.34 H new ATOM 1040 N GLY A 62 9.534 8.836 -1.819 1.00 30.15 N ATOM 1041 CA GLY A 62 9.779 9.736 -2.942 1.00 11.30 C ATOM 1042 C GLY A 62 8.714 10.818 -3.084 1.00 53.22 C ATOM 1043 O GLY A 62 8.065 11.202 -2.103 1.00 41.32 O ATOM 0 H GLY A 62 10.228 8.911 -1.075 1.00 30.15 H new ATOM 0 HA2 GLY A 62 10.753 10.208 -2.816 1.00 11.30 H new ATOM 0 HA3 GLY A 62 9.823 9.155 -3.863 1.00 11.30 H new ATOM 1047 N THR A 63 8.551 11.307 -4.319 1.00 42.52 N ATOM 1048 CA THR A 63 7.546 12.324 -4.682 1.00 3.03 C ATOM 1049 C THR A 63 6.523 11.762 -5.689 1.00 52.31 C ATOM 1050 O THR A 63 5.505 12.393 -5.945 1.00 33.21 O ATOM 1051 CB THR A 63 8.236 13.582 -5.301 1.00 11.22 C ATOM 1052 OG1 THR A 63 8.984 13.193 -6.473 1.00 71.44 O ATOM 1053 CG2 THR A 63 9.171 14.288 -4.299 1.00 64.42 C ATOM 0 H THR A 63 9.121 11.005 -5.110 1.00 42.52 H new ATOM 0 HA THR A 63 7.024 12.607 -3.768 1.00 3.03 H new ATOM 0 HB THR A 63 7.452 14.290 -5.570 1.00 11.22 H new ATOM 0 HG1 THR A 63 9.415 13.982 -6.862 1.00 71.44 H new ATOM 0 HG21 THR A 63 9.627 15.156 -4.776 1.00 64.42 H new ATOM 0 HG22 THR A 63 8.597 14.611 -3.431 1.00 64.42 H new ATOM 0 HG23 THR A 63 9.952 13.597 -3.981 1.00 64.42 H new ATOM 1061 N LYS A 64 6.809 10.573 -6.260 1.00 63.34 N ATOM 1062 CA LYS A 64 6.005 9.998 -7.362 1.00 25.23 C ATOM 1063 C LYS A 64 4.998 8.952 -6.858 1.00 12.51 C ATOM 1064 O LYS A 64 4.969 7.813 -7.330 1.00 23.11 O ATOM 1065 CB LYS A 64 6.948 9.434 -8.467 1.00 64.14 C ATOM 1066 CG LYS A 64 7.760 10.513 -9.214 1.00 21.34 C ATOM 1067 CD LYS A 64 6.852 11.591 -9.860 1.00 43.23 C ATOM 1068 CE LYS A 64 7.642 12.658 -10.626 1.00 53.41 C ATOM 1069 NZ LYS A 64 6.769 13.768 -11.084 1.00 34.44 N ATOM 0 H LYS A 64 7.595 9.989 -5.975 1.00 63.34 H new ATOM 0 HA LYS A 64 5.405 10.794 -7.804 1.00 25.23 H new ATOM 0 HB2 LYS A 64 7.639 8.724 -8.012 1.00 64.14 H new ATOM 0 HB3 LYS A 64 6.351 8.878 -9.190 1.00 64.14 H new ATOM 0 HG2 LYS A 64 8.450 10.991 -8.519 1.00 21.34 H new ATOM 0 HG3 LYS A 64 8.364 10.039 -9.988 1.00 21.34 H new ATOM 0 HD2 LYS A 64 6.151 11.108 -10.540 1.00 43.23 H new ATOM 0 HD3 LYS A 64 6.260 12.073 -9.082 1.00 43.23 H new ATOM 0 HE2 LYS A 64 8.430 13.056 -9.987 1.00 53.41 H new ATOM 0 HE3 LYS A 64 8.130 12.201 -11.487 1.00 53.41 H new ATOM 0 HZ1 LYS A 64 7.340 14.469 -11.598 1.00 34.44 H new ATOM 0 HZ2 LYS A 64 6.032 13.393 -11.714 1.00 34.44 H new ATOM 0 HZ3 LYS A 64 6.323 14.221 -10.261 1.00 34.44 H new ATOM 1083 N GLY A 65 4.194 9.366 -5.863 1.00 4.04 N ATOM 1084 CA GLY A 65 2.958 8.673 -5.491 1.00 42.41 C ATOM 1085 C GLY A 65 3.095 7.325 -4.792 1.00 61.13 C ATOM 1086 O GLY A 65 2.076 6.700 -4.469 1.00 31.12 O ATOM 0 H GLY A 65 4.387 10.192 -5.296 1.00 4.04 H new ATOM 0 HA2 GLY A 65 2.384 9.333 -4.841 1.00 42.41 H new ATOM 0 HA3 GLY A 65 2.369 8.525 -6.396 1.00 42.41 H new ATOM 1090 N ALA A 66 4.329 6.857 -4.570 1.00 24.25 N ATOM 1091 CA ALA A 66 4.580 5.582 -3.887 1.00 42.40 C ATOM 1092 C ALA A 66 4.439 5.774 -2.372 1.00 53.01 C ATOM 1093 O ALA A 66 5.085 6.653 -1.800 1.00 4.03 O ATOM 1094 CB ALA A 66 5.976 5.051 -4.240 1.00 61.21 C ATOM 0 H ALA A 66 5.176 7.347 -4.856 1.00 24.25 H new ATOM 0 HA ALA A 66 3.846 4.847 -4.219 1.00 42.40 H new ATOM 0 HB1 ALA A 66 6.146 4.105 -3.726 1.00 61.21 H new ATOM 0 HB2 ALA A 66 6.045 4.896 -5.317 1.00 61.21 H new ATOM 0 HB3 ALA A 66 6.730 5.774 -3.929 1.00 61.21 H new ATOM 1100 N VAL A 67 3.576 4.970 -1.736 1.00 23.53 N ATOM 1101 CA VAL A 67 3.390 4.975 -0.274 1.00 54.03 C ATOM 1102 C VAL A 67 4.103 3.760 0.350 1.00 11.12 C ATOM 1103 O VAL A 67 4.398 2.769 -0.332 1.00 21.24 O ATOM 1104 CB VAL A 67 1.863 4.983 0.135 1.00 44.51 C ATOM 1105 CG1 VAL A 67 1.148 6.251 -0.390 1.00 64.43 C ATOM 1106 CG2 VAL A 67 1.129 3.702 -0.327 1.00 11.50 C ATOM 0 H VAL A 67 2.984 4.295 -2.220 1.00 23.53 H new ATOM 0 HA VAL A 67 3.831 5.895 0.110 1.00 54.03 H new ATOM 0 HB VAL A 67 1.827 5.000 1.224 1.00 44.51 H new ATOM 0 HG11 VAL A 67 0.100 6.227 -0.093 1.00 64.43 H new ATOM 0 HG12 VAL A 67 1.624 7.137 0.030 1.00 64.43 H new ATOM 0 HG13 VAL A 67 1.216 6.283 -1.477 1.00 64.43 H new ATOM 0 HG21 VAL A 67 0.083 3.752 -0.024 1.00 11.50 H new ATOM 0 HG22 VAL A 67 1.189 3.620 -1.412 1.00 11.50 H new ATOM 0 HG23 VAL A 67 1.597 2.830 0.129 1.00 11.50 H new ATOM 1116 N ARG A 68 4.366 3.861 1.653 1.00 33.12 N ATOM 1117 CA ARG A 68 5.074 2.848 2.443 1.00 1.03 C ATOM 1118 C ARG A 68 4.140 2.362 3.562 1.00 64.24 C ATOM 1119 O ARG A 68 3.892 3.084 4.539 1.00 55.04 O ATOM 1120 CB ARG A 68 6.410 3.449 2.977 1.00 41.22 C ATOM 1121 CG ARG A 68 7.109 2.637 4.099 1.00 4.54 C ATOM 1122 CD ARG A 68 8.610 2.956 4.235 1.00 64.24 C ATOM 1123 NE ARG A 68 9.366 2.480 3.056 1.00 23.22 N ATOM 1124 CZ ARG A 68 10.619 2.836 2.735 1.00 32.11 C ATOM 1125 NH1 ARG A 68 11.313 3.684 3.487 1.00 33.42 N ATOM 1126 NH2 ARG A 68 11.184 2.323 1.653 1.00 45.10 N ATOM 0 H ARG A 68 4.086 4.671 2.205 1.00 33.12 H new ATOM 0 HA ARG A 68 5.340 1.982 1.837 1.00 1.03 H new ATOM 0 HB2 ARG A 68 7.102 3.550 2.141 1.00 41.22 H new ATOM 0 HB3 ARG A 68 6.212 4.454 3.350 1.00 41.22 H new ATOM 0 HG2 ARG A 68 6.614 2.841 5.048 1.00 4.54 H new ATOM 0 HG3 ARG A 68 6.987 1.573 3.898 1.00 4.54 H new ATOM 0 HD2 ARG A 68 8.747 4.031 4.349 1.00 64.24 H new ATOM 0 HD3 ARG A 68 9.004 2.487 5.137 1.00 64.24 H new ATOM 0 HE ARG A 68 8.894 1.824 2.433 1.00 23.22 H new ATOM 0 HH11 ARG A 68 10.894 4.079 4.329 1.00 33.42 H new ATOM 0 HH12 ARG A 68 12.264 3.940 3.222 1.00 33.42 H new ATOM 0 HH21 ARG A 68 10.667 1.663 1.072 1.00 45.10 H new ATOM 0 HH22 ARG A 68 12.136 2.588 1.401 1.00 45.10 H new ATOM 1140 N ALA A 69 3.585 1.150 3.377 1.00 64.41 N ATOM 1141 CA ALA A 69 2.593 0.567 4.288 1.00 35.22 C ATOM 1142 C ALA A 69 3.200 -0.605 5.083 1.00 72.13 C ATOM 1143 O ALA A 69 3.793 -1.518 4.503 1.00 14.24 O ATOM 1144 CB ALA A 69 1.347 0.123 3.499 1.00 32.54 C ATOM 0 H ALA A 69 3.816 0.548 2.587 1.00 64.41 H new ATOM 0 HA ALA A 69 2.289 1.327 5.008 1.00 35.22 H new ATOM 0 HB1 ALA A 69 0.617 -0.308 4.184 1.00 32.54 H new ATOM 0 HB2 ALA A 69 0.908 0.985 2.997 1.00 32.54 H new ATOM 0 HB3 ALA A 69 1.633 -0.623 2.757 1.00 32.54 H new ATOM 1150 N ARG A 70 3.063 -0.539 6.419 1.00 70.41 N ATOM 1151 CA ARG A 70 3.482 -1.596 7.356 1.00 22.23 C ATOM 1152 C ARG A 70 2.331 -2.576 7.571 1.00 55.41 C ATOM 1153 O ARG A 70 1.316 -2.210 8.167 1.00 21.32 O ATOM 1154 CB ARG A 70 3.900 -0.960 8.716 1.00 12.11 C ATOM 1155 CG ARG A 70 5.319 -0.363 8.732 1.00 23.15 C ATOM 1156 CD ARG A 70 6.396 -1.445 8.846 1.00 40.14 C ATOM 1157 NE ARG A 70 6.270 -2.219 10.098 1.00 41.44 N ATOM 1158 CZ ARG A 70 7.291 -2.636 10.855 1.00 64.11 C ATOM 1159 NH1 ARG A 70 8.550 -2.376 10.515 1.00 52.31 N ATOM 1160 NH2 ARG A 70 7.043 -3.307 11.966 1.00 54.44 N ATOM 0 H ARG A 70 2.649 0.267 6.887 1.00 70.41 H new ATOM 0 HA ARG A 70 4.334 -2.131 6.938 1.00 22.23 H new ATOM 0 HB2 ARG A 70 3.187 -0.176 8.971 1.00 12.11 H new ATOM 0 HB3 ARG A 70 3.830 -1.720 9.495 1.00 12.11 H new ATOM 0 HG2 ARG A 70 5.480 0.214 7.821 1.00 23.15 H new ATOM 0 HG3 ARG A 70 5.411 0.330 9.568 1.00 23.15 H new ATOM 0 HD2 ARG A 70 6.324 -2.120 7.993 1.00 40.14 H new ATOM 0 HD3 ARG A 70 7.382 -0.982 8.803 1.00 40.14 H new ATOM 0 HE ARG A 70 5.328 -2.455 10.411 1.00 41.44 H new ATOM 0 HH11 ARG A 70 8.750 -1.850 9.664 1.00 52.31 H new ATOM 0 HH12 ARG A 70 9.315 -2.702 11.105 1.00 52.31 H new ATOM 0 HH21 ARG A 70 6.080 -3.503 12.239 1.00 54.44 H new ATOM 0 HH22 ARG A 70 7.815 -3.629 12.550 1.00 54.44 H new ATOM 1174 N PHE A 71 2.492 -3.808 7.075 1.00 63.23 N ATOM 1175 CA PHE A 71 1.479 -4.870 7.215 1.00 14.54 C ATOM 1176 C PHE A 71 1.736 -5.714 8.468 1.00 71.41 C ATOM 1177 O PHE A 71 2.792 -5.609 9.095 1.00 40.14 O ATOM 1178 CB PHE A 71 1.432 -5.736 5.927 1.00 34.13 C ATOM 1179 CG PHE A 71 0.790 -4.994 4.758 1.00 0.31 C ATOM 1180 CD1 PHE A 71 1.527 -4.123 3.952 1.00 23.13 C ATOM 1181 CD2 PHE A 71 -0.575 -5.127 4.502 1.00 72.22 C ATOM 1182 CE1 PHE A 71 0.915 -3.420 2.938 1.00 62.31 C ATOM 1183 CE2 PHE A 71 -1.178 -4.429 3.481 1.00 3.41 C ATOM 1184 CZ PHE A 71 -0.434 -3.574 2.704 1.00 34.14 C ATOM 0 H PHE A 71 3.326 -4.101 6.565 1.00 63.23 H new ATOM 0 HA PHE A 71 0.500 -4.409 7.342 1.00 14.54 H new ATOM 0 HB2 PHE A 71 2.444 -6.034 5.654 1.00 34.13 H new ATOM 0 HB3 PHE A 71 0.873 -6.650 6.126 1.00 34.13 H new ATOM 0 HD1 PHE A 71 2.586 -4.000 4.125 1.00 23.13 H new ATOM 0 HD2 PHE A 71 -1.168 -5.789 5.115 1.00 72.22 H new ATOM 0 HE1 PHE A 71 1.494 -2.746 2.324 1.00 62.31 H new ATOM 0 HE2 PHE A 71 -2.234 -4.553 3.291 1.00 3.41 H new ATOM 0 HZ PHE A 71 -0.908 -3.021 1.907 1.00 34.14 H new ATOM 1194 N GLU A 72 0.723 -6.517 8.845 1.00 43.30 N ATOM 1195 CA GLU A 72 0.802 -7.470 9.967 1.00 74.13 C ATOM 1196 C GLU A 72 1.796 -8.605 9.642 1.00 11.10 C ATOM 1197 O GLU A 72 2.565 -9.053 10.501 1.00 74.15 O ATOM 1198 CB GLU A 72 -0.609 -8.058 10.280 1.00 34.23 C ATOM 1199 CG GLU A 72 -1.326 -8.687 9.059 1.00 11.35 C ATOM 1200 CD GLU A 72 -2.603 -9.461 9.419 1.00 34.03 C ATOM 1201 OE1 GLU A 72 -2.504 -10.659 9.761 1.00 10.54 O ATOM 1202 OE2 GLU A 72 -3.703 -8.877 9.365 1.00 23.21 O ATOM 0 H GLU A 72 -0.182 -6.522 8.374 1.00 43.30 H new ATOM 0 HA GLU A 72 1.161 -6.938 10.848 1.00 74.13 H new ATOM 0 HB2 GLU A 72 -0.509 -8.816 11.057 1.00 34.23 H new ATOM 0 HB3 GLU A 72 -1.237 -7.265 10.686 1.00 34.23 H new ATOM 0 HG2 GLU A 72 -1.579 -7.897 8.352 1.00 11.35 H new ATOM 0 HG3 GLU A 72 -0.635 -9.360 8.551 1.00 11.35 H new ATOM 1209 N LYS A 73 1.771 -9.046 8.372 1.00 55.12 N ATOM 1210 CA LYS A 73 2.568 -10.170 7.878 1.00 5.01 C ATOM 1211 C LYS A 73 3.512 -9.679 6.777 1.00 45.43 C ATOM 1212 O LYS A 73 4.722 -9.587 6.993 1.00 43.11 O ATOM 1213 CB LYS A 73 1.644 -11.305 7.349 1.00 21.21 C ATOM 1214 CG LYS A 73 0.635 -11.866 8.387 1.00 34.02 C ATOM 1215 CD LYS A 73 1.307 -12.566 9.591 1.00 24.33 C ATOM 1216 CE LYS A 73 2.103 -13.817 9.178 1.00 25.45 C ATOM 1217 NZ LYS A 73 1.255 -14.823 8.488 1.00 32.35 N ATOM 0 H LYS A 73 1.185 -8.621 7.653 1.00 55.12 H new ATOM 0 HA LYS A 73 3.160 -10.578 8.697 1.00 5.01 H new ATOM 0 HB2 LYS A 73 1.088 -10.930 6.490 1.00 21.21 H new ATOM 0 HB3 LYS A 73 2.268 -12.124 6.992 1.00 21.21 H new ATOM 0 HG2 LYS A 73 0.013 -11.050 8.754 1.00 34.02 H new ATOM 0 HG3 LYS A 73 -0.028 -12.574 7.890 1.00 34.02 H new ATOM 0 HD2 LYS A 73 1.975 -11.863 10.089 1.00 24.33 H new ATOM 0 HD3 LYS A 73 0.543 -12.848 10.315 1.00 24.33 H new ATOM 0 HE2 LYS A 73 2.922 -13.523 8.521 1.00 25.45 H new ATOM 0 HE3 LYS A 73 2.551 -14.269 10.063 1.00 25.45 H new ATOM 0 HZ1 LYS A 73 1.793 -15.705 8.366 1.00 32.35 H new ATOM 0 HZ2 LYS A 73 0.406 -15.011 9.058 1.00 32.35 H new ATOM 0 HZ3 LYS A 73 0.972 -14.458 7.556 1.00 32.35 H new ATOM 1231 N GLY A 74 2.922 -9.310 5.617 1.00 12.24 N ATOM 1232 CA GLY A 74 3.703 -8.947 4.437 1.00 53.24 C ATOM 1233 C GLY A 74 4.360 -10.174 3.810 1.00 34.42 C ATOM 1234 O GLY A 74 5.584 -10.253 3.701 1.00 12.23 O ATOM 0 H GLY A 74 1.912 -9.259 5.484 1.00 12.24 H new ATOM 0 HA2 GLY A 74 3.057 -8.463 3.705 1.00 53.24 H new ATOM 0 HA3 GLY A 74 4.469 -8.223 4.714 1.00 53.24 H new ATOM 1238 N LEU A 75 3.524 -11.153 3.437 1.00 22.32 N ATOM 1239 CA LEU A 75 3.970 -12.453 2.911 1.00 74.22 C ATOM 1240 C LEU A 75 4.622 -12.299 1.518 1.00 53.51 C ATOM 1241 O LEU A 75 3.989 -11.762 0.607 1.00 33.02 O ATOM 1242 CB LEU A 75 2.774 -13.437 2.845 1.00 54.30 C ATOM 1243 CG LEU A 75 2.216 -13.897 4.225 1.00 23.32 C ATOM 1244 CD1 LEU A 75 0.956 -14.766 4.060 1.00 3.22 C ATOM 1245 CD2 LEU A 75 3.310 -14.627 5.044 1.00 62.22 C ATOM 0 H LEU A 75 2.509 -11.065 3.492 1.00 22.32 H new ATOM 0 HA LEU A 75 4.724 -12.855 3.588 1.00 74.22 H new ATOM 0 HB2 LEU A 75 1.967 -12.966 2.284 1.00 54.30 H new ATOM 0 HB3 LEU A 75 3.081 -14.319 2.283 1.00 54.30 H new ATOM 0 HG LEU A 75 1.921 -13.008 4.782 1.00 23.32 H new ATOM 0 HD11 LEU A 75 0.593 -15.070 5.042 1.00 3.22 H new ATOM 0 HD12 LEU A 75 0.183 -14.193 3.548 1.00 3.22 H new ATOM 0 HD13 LEU A 75 1.199 -15.652 3.473 1.00 3.22 H new ATOM 0 HD21 LEU A 75 2.898 -14.939 6.004 1.00 62.22 H new ATOM 0 HD22 LEU A 75 3.653 -15.503 4.494 1.00 62.22 H new ATOM 0 HD23 LEU A 75 4.150 -13.953 5.212 1.00 62.22 H new ATOM 1257 N PRO A 76 5.898 -12.782 1.346 1.00 73.21 N ATOM 1258 CA PRO A 76 6.663 -12.640 0.075 1.00 5.10 C ATOM 1259 C PRO A 76 6.070 -13.490 -1.079 1.00 64.33 C ATOM 1260 O PRO A 76 5.131 -14.274 -0.880 1.00 73.34 O ATOM 1261 CB PRO A 76 8.090 -13.123 0.476 1.00 55.23 C ATOM 1262 CG PRO A 76 7.848 -14.091 1.606 1.00 13.32 C ATOM 1263 CD PRO A 76 6.686 -13.517 2.381 1.00 34.03 C ATOM 0 HA PRO A 76 6.642 -11.623 -0.316 1.00 5.10 H new ATOM 0 HB2 PRO A 76 8.597 -13.605 -0.360 1.00 55.23 H new ATOM 0 HB3 PRO A 76 8.718 -12.290 0.792 1.00 55.23 H new ATOM 0 HG2 PRO A 76 7.615 -15.086 1.228 1.00 13.32 H new ATOM 0 HG3 PRO A 76 8.732 -14.188 2.237 1.00 13.32 H new ATOM 0 HD2 PRO A 76 6.094 -14.301 2.853 1.00 34.03 H new ATOM 0 HD3 PRO A 76 7.024 -12.851 3.175 1.00 34.03 H new ATOM 1271 N GLY A 77 6.642 -13.322 -2.281 1.00 45.01 N ATOM 1272 CA GLY A 77 6.187 -14.024 -3.486 1.00 23.30 C ATOM 1273 C GLY A 77 5.935 -13.056 -4.627 1.00 53.05 C ATOM 1274 O GLY A 77 5.971 -11.830 -4.433 1.00 13.54 O ATOM 0 H GLY A 77 7.431 -12.696 -2.443 1.00 45.01 H new ATOM 0 HA2 GLY A 77 6.936 -14.757 -3.787 1.00 23.30 H new ATOM 0 HA3 GLY A 77 5.273 -14.575 -3.265 1.00 23.30 H new ATOM 1278 N GLN A 78 5.673 -13.604 -5.827 1.00 75.34 N ATOM 1279 CA GLN A 78 5.382 -12.805 -7.029 1.00 32.22 C ATOM 1280 C GLN A 78 3.871 -12.478 -7.082 1.00 55.33 C ATOM 1281 O GLN A 78 3.101 -13.020 -7.885 1.00 11.42 O ATOM 1282 CB GLN A 78 5.881 -13.542 -8.312 1.00 45.24 C ATOM 1283 CG GLN A 78 5.734 -12.734 -9.624 1.00 21.20 C ATOM 1284 CD GLN A 78 6.374 -13.433 -10.828 1.00 41.31 C ATOM 1285 OE1 GLN A 78 7.540 -13.196 -11.154 1.00 62.34 O ATOM 1286 NE2 GLN A 78 5.634 -14.321 -11.476 1.00 73.14 N ATOM 0 H GLN A 78 5.657 -14.611 -5.990 1.00 75.34 H new ATOM 0 HA GLN A 78 5.923 -11.860 -6.982 1.00 32.22 H new ATOM 0 HB2 GLN A 78 6.931 -13.803 -8.179 1.00 45.24 H new ATOM 0 HB3 GLN A 78 5.330 -14.477 -8.414 1.00 45.24 H new ATOM 0 HG2 GLN A 78 4.676 -12.568 -9.826 1.00 21.20 H new ATOM 0 HG3 GLN A 78 6.191 -11.753 -9.494 1.00 21.20 H new ATOM 0 HE21 GLN A 78 4.673 -14.495 -11.183 1.00 73.14 H new ATOM 0 HE22 GLN A 78 6.026 -14.830 -12.268 1.00 73.14 H new ATOM 1295 N ALA A 79 3.455 -11.627 -6.138 1.00 11.55 N ATOM 1296 CA ALA A 79 2.087 -11.085 -6.045 1.00 63.32 C ATOM 1297 C ALA A 79 2.112 -9.565 -6.296 1.00 30.43 C ATOM 1298 O ALA A 79 1.154 -8.847 -5.979 1.00 54.21 O ATOM 1299 CB ALA A 79 1.505 -11.427 -4.661 1.00 21.21 C ATOM 0 H ALA A 79 4.070 -11.286 -5.399 1.00 11.55 H new ATOM 0 HA ALA A 79 1.447 -11.533 -6.805 1.00 63.32 H new ATOM 0 HB1 ALA A 79 0.493 -11.030 -4.584 1.00 21.21 H new ATOM 0 HB2 ALA A 79 1.481 -12.509 -4.534 1.00 21.21 H new ATOM 0 HB3 ALA A 79 2.129 -10.984 -3.884 1.00 21.21 H new ATOM 1305 N LEU A 80 3.227 -9.098 -6.895 1.00 30.03 N ATOM 1306 CA LEU A 80 3.458 -7.684 -7.205 1.00 62.12 C ATOM 1307 C LEU A 80 2.630 -7.287 -8.445 1.00 63.43 C ATOM 1308 O LEU A 80 2.775 -7.891 -9.510 1.00 1.50 O ATOM 1309 CB LEU A 80 4.974 -7.432 -7.455 1.00 33.11 C ATOM 1310 CG LEU A 80 5.959 -7.979 -6.368 1.00 5.32 C ATOM 1311 CD1 LEU A 80 7.423 -7.640 -6.722 1.00 22.53 C ATOM 1312 CD2 LEU A 80 5.588 -7.472 -4.959 1.00 3.14 C ATOM 0 H LEU A 80 3.997 -9.704 -7.178 1.00 30.03 H new ATOM 0 HA LEU A 80 3.144 -7.071 -6.360 1.00 62.12 H new ATOM 0 HB2 LEU A 80 5.241 -7.878 -8.413 1.00 33.11 H new ATOM 0 HB3 LEU A 80 5.131 -6.357 -7.548 1.00 33.11 H new ATOM 0 HG LEU A 80 5.864 -9.065 -6.356 1.00 5.32 H new ATOM 0 HD11 LEU A 80 8.084 -8.032 -5.949 1.00 22.53 H new ATOM 0 HD12 LEU A 80 7.679 -8.090 -7.681 1.00 22.53 H new ATOM 0 HD13 LEU A 80 7.541 -6.558 -6.786 1.00 22.53 H new ATOM 0 HD21 LEU A 80 6.294 -7.872 -4.231 1.00 3.14 H new ATOM 0 HD22 LEU A 80 5.628 -6.383 -4.942 1.00 3.14 H new ATOM 0 HD23 LEU A 80 4.580 -7.802 -4.707 1.00 3.14 H new ATOM 1324 N GLY A 81 1.760 -6.285 -8.280 1.00 31.52 N ATOM 1325 CA GLY A 81 0.863 -5.820 -9.346 1.00 44.01 C ATOM 1326 C GLY A 81 -0.603 -5.987 -8.970 1.00 73.33 C ATOM 1327 O GLY A 81 -1.488 -5.534 -9.705 1.00 1.22 O ATOM 0 H GLY A 81 1.657 -5.773 -7.404 1.00 31.52 H new ATOM 0 HA2 GLY A 81 1.066 -4.770 -9.558 1.00 44.01 H new ATOM 0 HA3 GLY A 81 1.068 -6.376 -10.261 1.00 44.01 H new ATOM 1331 N ASP A 82 -0.849 -6.648 -7.826 1.00 51.31 N ATOM 1332 CA ASP A 82 -2.204 -6.930 -7.316 1.00 22.55 C ATOM 1333 C ASP A 82 -2.789 -5.661 -6.646 1.00 64.42 C ATOM 1334 O ASP A 82 -2.034 -4.782 -6.219 1.00 42.53 O ATOM 1335 CB ASP A 82 -2.134 -8.126 -6.317 1.00 65.45 C ATOM 1336 CG ASP A 82 -3.502 -8.775 -6.052 1.00 20.12 C ATOM 1337 OD1 ASP A 82 -3.944 -9.589 -6.891 1.00 4.33 O ATOM 1338 OD2 ASP A 82 -4.146 -8.469 -5.032 1.00 41.43 O ATOM 0 H ASP A 82 -0.108 -7.005 -7.223 1.00 51.31 H new ATOM 0 HA ASP A 82 -2.866 -7.205 -8.137 1.00 22.55 H new ATOM 0 HB2 ASP A 82 -1.452 -8.880 -6.710 1.00 65.45 H new ATOM 0 HB3 ASP A 82 -1.715 -7.778 -5.373 1.00 65.45 H new ATOM 1343 N TYR A 83 -4.127 -5.559 -6.581 1.00 31.24 N ATOM 1344 CA TYR A 83 -4.817 -4.367 -6.045 1.00 35.32 C ATOM 1345 C TYR A 83 -5.089 -4.505 -4.540 1.00 45.04 C ATOM 1346 O TYR A 83 -5.587 -5.534 -4.083 1.00 44.24 O ATOM 1347 CB TYR A 83 -6.141 -4.119 -6.821 1.00 31.20 C ATOM 1348 CG TYR A 83 -5.917 -3.578 -8.246 1.00 72.41 C ATOM 1349 CD1 TYR A 83 -5.568 -4.427 -9.308 1.00 65.12 C ATOM 1350 CD2 TYR A 83 -6.036 -2.211 -8.523 1.00 73.02 C ATOM 1351 CE1 TYR A 83 -5.343 -3.932 -10.576 1.00 24.12 C ATOM 1352 CE2 TYR A 83 -5.815 -1.720 -9.794 1.00 21.43 C ATOM 1353 CZ TYR A 83 -5.473 -2.579 -10.814 1.00 15.34 C ATOM 1354 OH TYR A 83 -5.238 -2.082 -12.078 1.00 73.51 O ATOM 0 H TYR A 83 -4.760 -6.294 -6.896 1.00 31.24 H new ATOM 0 HA TYR A 83 -4.161 -3.507 -6.183 1.00 35.32 H new ATOM 0 HB2 TYR A 83 -6.702 -5.052 -6.878 1.00 31.20 H new ATOM 0 HB3 TYR A 83 -6.755 -3.412 -6.263 1.00 31.20 H new ATOM 0 HD1 TYR A 83 -5.474 -5.488 -9.129 1.00 65.12 H new ATOM 0 HD2 TYR A 83 -6.305 -1.530 -7.730 1.00 73.02 H new ATOM 0 HE1 TYR A 83 -5.067 -4.600 -11.378 1.00 24.12 H new ATOM 0 HE2 TYR A 83 -5.910 -0.662 -9.988 1.00 21.43 H new ATOM 0 HH TYR A 83 -5.373 -1.111 -12.078 1.00 73.51 H new ATOM 1364 N VAL A 84 -4.767 -3.439 -3.797 1.00 15.23 N ATOM 1365 CA VAL A 84 -5.015 -3.323 -2.356 1.00 35.20 C ATOM 1366 C VAL A 84 -6.281 -2.477 -2.169 1.00 71.52 C ATOM 1367 O VAL A 84 -6.579 -1.604 -3.003 1.00 15.42 O ATOM 1368 CB VAL A 84 -3.797 -2.660 -1.579 1.00 21.34 C ATOM 1369 CG1 VAL A 84 -2.453 -3.337 -1.920 1.00 72.12 C ATOM 1370 CG2 VAL A 84 -3.692 -1.140 -1.815 1.00 72.15 C ATOM 0 H VAL A 84 -4.316 -2.614 -4.191 1.00 15.23 H new ATOM 0 HA VAL A 84 -5.139 -4.322 -1.938 1.00 35.20 H new ATOM 0 HB VAL A 84 -4.009 -2.819 -0.522 1.00 21.34 H new ATOM 0 HG11 VAL A 84 -1.650 -2.851 -1.366 1.00 72.12 H new ATOM 0 HG12 VAL A 84 -2.497 -4.391 -1.646 1.00 72.12 H new ATOM 0 HG13 VAL A 84 -2.262 -3.248 -2.989 1.00 72.12 H new ATOM 0 HG21 VAL A 84 -2.842 -0.743 -1.259 1.00 72.15 H new ATOM 0 HG22 VAL A 84 -3.553 -0.946 -2.878 1.00 72.15 H new ATOM 0 HG23 VAL A 84 -4.607 -0.655 -1.474 1.00 72.15 H new ATOM 1380 N GLU A 85 -7.023 -2.747 -1.097 1.00 30.25 N ATOM 1381 CA GLU A 85 -8.251 -2.017 -0.768 1.00 43.23 C ATOM 1382 C GLU A 85 -7.988 -1.190 0.497 1.00 20.00 C ATOM 1383 O GLU A 85 -7.930 -1.735 1.598 1.00 41.04 O ATOM 1384 CB GLU A 85 -9.387 -3.048 -0.545 1.00 53.21 C ATOM 1385 CG GLU A 85 -9.594 -4.041 -1.720 1.00 25.34 C ATOM 1386 CD GLU A 85 -10.161 -3.383 -2.996 1.00 15.03 C ATOM 1387 OE1 GLU A 85 -9.383 -2.898 -3.849 1.00 73.34 O ATOM 1388 OE2 GLU A 85 -11.405 -3.363 -3.157 1.00 20.43 O ATOM 0 H GLU A 85 -6.791 -3.481 -0.428 1.00 30.25 H new ATOM 0 HA GLU A 85 -8.549 -1.343 -1.571 1.00 43.23 H new ATOM 0 HB2 GLU A 85 -9.173 -3.616 0.361 1.00 53.21 H new ATOM 0 HB3 GLU A 85 -10.319 -2.511 -0.371 1.00 53.21 H new ATOM 0 HG2 GLU A 85 -8.640 -4.512 -1.958 1.00 25.34 H new ATOM 0 HG3 GLU A 85 -10.270 -4.834 -1.399 1.00 25.34 H new ATOM 1395 N ILE A 86 -7.859 0.132 0.332 1.00 71.41 N ATOM 1396 CA ILE A 86 -7.469 1.051 1.415 1.00 64.22 C ATOM 1397 C ILE A 86 -8.730 1.680 2.023 1.00 41.34 C ATOM 1398 O ILE A 86 -9.375 2.537 1.406 1.00 22.42 O ATOM 1399 CB ILE A 86 -6.483 2.167 0.908 1.00 62.03 C ATOM 1400 CG1 ILE A 86 -5.232 1.531 0.221 1.00 13.43 C ATOM 1401 CG2 ILE A 86 -6.064 3.113 2.062 1.00 1.40 C ATOM 1402 CD1 ILE A 86 -4.261 2.523 -0.411 1.00 40.13 C ATOM 0 H ILE A 86 -8.022 0.599 -0.560 1.00 71.41 H new ATOM 0 HA ILE A 86 -6.939 0.480 2.177 1.00 64.22 H new ATOM 0 HB ILE A 86 -7.009 2.766 0.165 1.00 62.03 H new ATOM 0 HG12 ILE A 86 -4.692 0.941 0.961 1.00 13.43 H new ATOM 0 HG13 ILE A 86 -5.573 0.840 -0.550 1.00 13.43 H new ATOM 0 HG21 ILE A 86 -5.383 3.873 1.680 1.00 1.40 H new ATOM 0 HG22 ILE A 86 -6.949 3.595 2.477 1.00 1.40 H new ATOM 0 HG23 ILE A 86 -5.565 2.537 2.841 1.00 1.40 H new ATOM 0 HD11 ILE A 86 -3.429 1.981 -0.860 1.00 40.13 H new ATOM 0 HD12 ILE A 86 -4.777 3.098 -1.180 1.00 40.13 H new ATOM 0 HD13 ILE A 86 -3.882 3.200 0.355 1.00 40.13 H new ATOM 1414 N VAL A 87 -9.090 1.194 3.210 1.00 41.20 N ATOM 1415 CA VAL A 87 -10.243 1.666 3.977 1.00 51.31 C ATOM 1416 C VAL A 87 -9.797 2.728 5.007 1.00 24.02 C ATOM 1417 O VAL A 87 -8.782 2.559 5.688 1.00 35.31 O ATOM 1418 CB VAL A 87 -10.942 0.462 4.716 1.00 51.23 C ATOM 1419 CG1 VAL A 87 -12.155 0.928 5.551 1.00 45.44 C ATOM 1420 CG2 VAL A 87 -11.348 -0.653 3.716 1.00 61.22 C ATOM 0 H VAL A 87 -8.578 0.445 3.676 1.00 41.20 H new ATOM 0 HA VAL A 87 -10.957 2.116 3.288 1.00 51.31 H new ATOM 0 HB VAL A 87 -10.212 0.042 5.408 1.00 51.23 H new ATOM 0 HG11 VAL A 87 -12.609 0.069 6.044 1.00 45.44 H new ATOM 0 HG12 VAL A 87 -11.825 1.646 6.302 1.00 45.44 H new ATOM 0 HG13 VAL A 87 -12.888 1.399 4.896 1.00 45.44 H new ATOM 0 HG21 VAL A 87 -11.827 -1.469 4.256 1.00 61.22 H new ATOM 0 HG22 VAL A 87 -12.043 -0.247 2.981 1.00 61.22 H new ATOM 0 HG23 VAL A 87 -10.459 -1.027 3.208 1.00 61.22 H new ATOM 1430 N LEU A 88 -10.549 3.833 5.101 1.00 51.05 N ATOM 1431 CA LEU A 88 -10.399 4.812 6.183 1.00 64.31 C ATOM 1432 C LEU A 88 -11.722 4.838 6.962 1.00 10.13 C ATOM 1433 O LEU A 88 -12.792 5.049 6.385 1.00 24.55 O ATOM 1434 CB LEU A 88 -9.988 6.213 5.622 1.00 0.31 C ATOM 1435 CG LEU A 88 -9.584 7.337 6.666 1.00 12.13 C ATOM 1436 CD1 LEU A 88 -10.806 8.046 7.310 1.00 31.45 C ATOM 1437 CD2 LEU A 88 -8.623 6.775 7.751 1.00 31.45 C ATOM 0 H LEU A 88 -11.278 4.072 4.429 1.00 51.05 H new ATOM 0 HA LEU A 88 -9.593 4.530 6.860 1.00 64.31 H new ATOM 0 HB2 LEU A 88 -9.148 6.069 4.943 1.00 0.31 H new ATOM 0 HB3 LEU A 88 -10.818 6.592 5.026 1.00 0.31 H new ATOM 0 HG LEU A 88 -9.055 8.103 6.098 1.00 12.13 H new ATOM 0 HD11 LEU A 88 -10.459 8.803 8.014 1.00 31.45 H new ATOM 0 HD12 LEU A 88 -11.403 8.521 6.532 1.00 31.45 H new ATOM 0 HD13 LEU A 88 -11.416 7.313 7.838 1.00 31.45 H new ATOM 0 HD21 LEU A 88 -8.363 7.568 8.453 1.00 31.45 H new ATOM 0 HD22 LEU A 88 -9.114 5.963 8.287 1.00 31.45 H new ATOM 0 HD23 LEU A 88 -7.717 6.400 7.275 1.00 31.45 H new ATOM 1449 N GLU A 89 -11.627 4.591 8.275 1.00 13.54 N ATOM 1450 CA GLU A 89 -12.781 4.544 9.190 1.00 63.40 C ATOM 1451 C GLU A 89 -12.291 4.753 10.629 1.00 43.41 C ATOM 1452 O GLU A 89 -12.941 5.433 11.432 1.00 11.22 O ATOM 1453 CB GLU A 89 -13.545 3.187 9.069 1.00 73.34 C ATOM 1454 CG GLU A 89 -12.665 1.927 9.260 1.00 5.25 C ATOM 1455 CD GLU A 89 -13.480 0.635 9.411 1.00 20.01 C ATOM 1456 OE1 GLU A 89 -13.932 0.346 10.540 1.00 11.22 O ATOM 1457 OE2 GLU A 89 -13.679 -0.083 8.412 1.00 12.41 O ATOM 0 H GLU A 89 -10.736 4.416 8.740 1.00 13.54 H new ATOM 0 HA GLU A 89 -13.476 5.338 8.919 1.00 63.40 H new ATOM 0 HB2 GLU A 89 -14.345 3.170 9.809 1.00 73.34 H new ATOM 0 HB3 GLU A 89 -14.017 3.138 8.088 1.00 73.34 H new ATOM 0 HG2 GLU A 89 -11.994 1.828 8.406 1.00 5.25 H new ATOM 0 HG3 GLU A 89 -12.040 2.059 10.143 1.00 5.25 H new ATOM 1464 N HIS A 90 -11.125 4.147 10.935 1.00 60.12 N ATOM 1465 CA HIS A 90 -10.510 4.212 12.257 1.00 70.44 C ATOM 1466 C HIS A 90 -9.818 5.580 12.424 1.00 54.54 C ATOM 1467 O HIS A 90 -8.705 5.791 11.930 1.00 42.44 O ATOM 1468 CB HIS A 90 -9.509 3.039 12.446 1.00 13.32 C ATOM 1469 CG HIS A 90 -9.065 2.828 13.875 1.00 51.35 C ATOM 1470 ND1 HIS A 90 -9.600 1.856 14.692 1.00 31.31 N ATOM 1471 CD2 HIS A 90 -8.131 3.460 14.622 1.00 45.40 C ATOM 1472 CE1 HIS A 90 -9.014 1.902 15.871 1.00 72.30 C ATOM 1473 NE2 HIS A 90 -8.118 2.867 15.858 1.00 11.14 N ATOM 0 H HIS A 90 -10.589 3.599 10.262 1.00 60.12 H new ATOM 0 HA HIS A 90 -11.275 4.112 13.027 1.00 70.44 H new ATOM 0 HB2 HIS A 90 -9.969 2.121 12.081 1.00 13.32 H new ATOM 0 HB3 HIS A 90 -8.630 3.223 11.828 1.00 13.32 H new ATOM 0 HD2 HIS A 90 -7.508 4.283 14.303 1.00 45.40 H new ATOM 0 HE1 HIS A 90 -9.232 1.256 16.709 1.00 72.30 H new ATOM 0 HE2 HIS A 90 -7.515 3.129 16.638 1.00 11.14 H new ATOM 1482 N HIS A 91 -10.528 6.501 13.086 1.00 64.11 N ATOM 1483 CA HIS A 91 -10.036 7.855 13.400 1.00 45.42 C ATOM 1484 C HIS A 91 -9.312 7.833 14.784 1.00 5.21 C ATOM 1485 O HIS A 91 -8.219 7.230 14.867 1.00 72.33 O ATOM 1486 CB HIS A 91 -11.231 8.873 13.315 1.00 72.14 C ATOM 1487 CG HIS A 91 -12.497 8.436 14.033 1.00 61.12 C ATOM 1488 ND1 HIS A 91 -13.428 7.603 13.455 1.00 12.22 N ATOM 1489 CD2 HIS A 91 -12.977 8.721 15.270 1.00 10.24 C ATOM 1490 CE1 HIS A 91 -14.411 7.392 14.300 1.00 14.31 C ATOM 1491 NE2 HIS A 91 -14.164 8.055 15.405 1.00 3.43 N ATOM 0 H HIS A 91 -11.474 6.328 13.425 1.00 64.11 H new ATOM 0 HA HIS A 91 -9.296 8.190 12.673 1.00 45.42 H new ATOM 0 HB2 HIS A 91 -10.906 9.827 13.730 1.00 72.14 H new ATOM 0 HB3 HIS A 91 -11.468 9.046 12.265 1.00 72.14 H new ATOM 0 HD1 HIS A 91 -13.364 7.210 12.516 1.00 12.22 H new ATOM 0 HD2 HIS A 91 -12.509 9.355 16.009 1.00 10.24 H new ATOM 0 HE1 HIS A 91 -15.278 6.775 14.116 1.00 14.31 H new TER 1500 HIS A 91