USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 MET CE :methyl 169:sc=-0.00384 (180deg=-0.183) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -1.41 (180deg=-1.9) USER MOD Single : A 28 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.41) USER MOD Single : A 35 CYS SG : rot 62:sc= -0.0508 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 140:sc= -0.0336 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.66) USER MOD Single : A 55 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 67 SER OG : rot -81:sc= 1.13 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -8:sc= 0.71 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 72:sc= 0.0512 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.538 8.247 10.748 1.00 0.00 N ATOM 2 CA MET A 15 -1.271 8.011 10.076 1.00 0.00 C ATOM 3 C MET A 15 -1.226 6.669 9.393 1.00 0.00 C ATOM 4 O MET A 15 -0.716 6.599 8.285 1.00 0.00 O ATOM 5 CB MET A 15 -0.077 8.159 11.046 1.00 0.00 C ATOM 6 CG MET A 15 -0.164 9.523 11.775 1.00 0.00 C ATOM 7 SD MET A 15 1.499 10.044 12.314 1.00 0.00 S ATOM 8 CE MET A 15 1.528 11.739 11.646 1.00 0.00 C ATOM 0 HA MET A 15 -1.187 8.777 9.305 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.083 7.346 11.772 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.862 8.088 10.496 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.593 10.274 11.111 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.827 9.443 12.636 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.482 12.209 11.887 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.403 11.706 10.564 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.717 12.318 12.088 1.00 0.00 H new ATOM 18 N ALA A 16 -1.758 5.591 10.016 1.00 0.00 N ATOM 19 CA ALA A 16 -1.811 4.320 9.303 1.00 0.00 C ATOM 20 C ALA A 16 -2.431 4.509 7.938 1.00 0.00 C ATOM 21 O ALA A 16 -1.868 3.942 7.014 1.00 0.00 O ATOM 22 CB ALA A 16 -2.521 3.191 10.101 1.00 0.00 C ATOM 0 H ALA A 16 -2.136 5.583 10.963 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.781 3.985 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.524 2.275 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.990 3.018 11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.548 3.488 10.316 1.00 0.00 H new ATOM 28 N PRO A 17 -3.530 5.285 7.704 1.00 0.00 N ATOM 29 CA PRO A 17 -4.017 5.440 6.353 1.00 0.00 C ATOM 30 C PRO A 17 -3.186 6.392 5.527 1.00 0.00 C ATOM 31 O PRO A 17 -2.992 6.130 4.351 1.00 0.00 O ATOM 32 CB PRO A 17 -5.425 6.038 6.544 1.00 0.00 C ATOM 33 CG PRO A 17 -5.556 6.400 8.046 1.00 0.00 C ATOM 34 CD PRO A 17 -4.250 5.981 8.748 1.00 0.00 C ATOM 0 HA PRO A 17 -3.990 4.490 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.558 6.922 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.193 5.322 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.729 7.469 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.409 5.887 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.694 6.844 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.441 5.336 9.606 1.00 0.00 H new ATOM 42 N ALA A 18 -2.683 7.505 6.105 1.00 0.00 N ATOM 43 CA ALA A 18 -1.787 8.364 5.341 1.00 0.00 C ATOM 44 C ALA A 18 -0.714 7.496 4.733 1.00 0.00 C ATOM 45 O ALA A 18 -0.244 7.808 3.650 1.00 0.00 O ATOM 46 CB ALA A 18 -1.092 9.427 6.229 1.00 0.00 C ATOM 0 H ALA A 18 -2.878 7.811 7.058 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.379 8.884 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.435 10.042 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.846 10.059 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.505 8.929 7.001 1.00 0.00 H new ATOM 52 N LEU A 19 -0.311 6.406 5.434 1.00 0.00 N ATOM 53 CA LEU A 19 0.704 5.523 4.879 1.00 0.00 C ATOM 54 C LEU A 19 0.123 4.924 3.605 1.00 0.00 C ATOM 55 O LEU A 19 0.557 5.393 2.564 1.00 0.00 O ATOM 56 CB LEU A 19 1.261 4.509 5.924 1.00 0.00 C ATOM 57 CG LEU A 19 2.749 4.104 5.701 1.00 0.00 C ATOM 58 CD1 LEU A 19 3.053 3.818 4.209 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.767 5.106 6.316 1.00 0.00 C ATOM 0 H LEU A 19 -0.668 6.137 6.351 1.00 0.00 H new ATOM 0 HA LEU A 19 1.607 6.070 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.160 4.941 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.646 3.610 5.903 1.00 0.00 H new ATOM 0 HG LEU A 19 2.884 3.172 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.101 3.539 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.421 3.002 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.851 4.712 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.782 4.759 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.627 6.089 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.607 5.173 7.392 1.00 0.00 H new ATOM 71 N VAL A 20 -0.853 3.965 3.626 1.00 0.00 N ATOM 72 CA VAL A 20 -1.394 3.384 2.380 1.00 0.00 C ATOM 73 C VAL A 20 -1.572 4.439 1.305 1.00 0.00 C ATOM 74 O VAL A 20 -1.372 4.122 0.146 1.00 0.00 O ATOM 75 CB VAL A 20 -2.687 2.514 2.530 1.00 0.00 C ATOM 76 CG1 VAL A 20 -3.890 3.367 2.992 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.088 1.771 1.224 1.00 0.00 C ATOM 0 H VAL A 20 -1.267 3.592 4.480 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.626 2.674 2.073 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.438 1.768 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.771 2.732 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.665 3.821 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.084 4.150 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.992 1.188 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.274 2.499 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.280 1.105 0.921 1.00 0.00 H new ATOM 87 N ALA A 21 -1.940 5.697 1.646 1.00 0.00 N ATOM 88 CA ALA A 21 -2.077 6.728 0.615 1.00 0.00 C ATOM 89 C ALA A 21 -0.731 7.103 0.011 1.00 0.00 C ATOM 90 O ALA A 21 -0.655 7.259 -1.199 1.00 0.00 O ATOM 91 CB ALA A 21 -2.753 8.009 1.168 1.00 0.00 C ATOM 0 H ALA A 21 -2.139 6.006 2.597 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.710 6.297 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.836 8.749 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.748 7.764 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.151 8.416 1.981 1.00 0.00 H new ATOM 97 N ALA A 22 0.349 7.252 0.818 1.00 0.00 N ATOM 98 CA ALA A 22 1.664 7.590 0.260 1.00 0.00 C ATOM 99 C ALA A 22 2.038 6.716 -0.920 1.00 0.00 C ATOM 100 O ALA A 22 2.540 7.254 -1.896 1.00 0.00 O ATOM 101 CB ALA A 22 2.793 7.420 1.311 1.00 0.00 C ATOM 0 H ALA A 22 0.329 7.145 1.832 1.00 0.00 H new ATOM 0 HA ALA A 22 1.575 8.629 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.751 7.679 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.601 8.076 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.820 6.385 1.651 1.00 0.00 H new ATOM 107 N PHE A 23 1.796 5.383 -0.825 1.00 0.00 N ATOM 108 CA PHE A 23 2.080 4.451 -1.932 1.00 0.00 C ATOM 109 C PHE A 23 0.825 3.782 -2.488 1.00 0.00 C ATOM 110 O PHE A 23 0.962 2.830 -3.240 1.00 0.00 O ATOM 111 CB PHE A 23 3.227 3.412 -1.747 1.00 0.00 C ATOM 112 CG PHE A 23 3.988 3.011 -3.037 1.00 0.00 C ATOM 113 CD1 PHE A 23 4.640 3.963 -3.828 1.00 0.00 C ATOM 114 CD2 PHE A 23 4.058 1.659 -3.408 1.00 0.00 C ATOM 115 CE1 PHE A 23 5.450 3.578 -4.889 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.786 1.279 -4.547 1.00 0.00 C ATOM 117 CZ PHE A 23 5.502 2.240 -5.277 1.00 0.00 C ATOM 0 H PHE A 23 1.407 4.937 0.006 1.00 0.00 H new ATOM 0 HA PHE A 23 2.487 5.142 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.946 3.816 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.807 2.511 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.512 5.013 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.551 0.910 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.040 4.315 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.795 0.246 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.090 1.945 -6.134 1.00 0.00 H new ATOM 127 N GLY A 24 -0.401 4.260 -2.154 1.00 0.00 N ATOM 128 CA GLY A 24 -1.625 3.791 -2.812 1.00 0.00 C ATOM 129 C GLY A 24 -2.701 4.860 -2.927 1.00 0.00 C ATOM 130 O GLY A 24 -3.862 4.497 -3.036 1.00 0.00 O ATOM 0 H GLY A 24 -0.557 4.966 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.376 3.429 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.025 2.943 -2.256 1.00 0.00 H new ATOM 134 N GLY A 25 -2.339 6.165 -2.936 1.00 0.00 N ATOM 135 CA GLY A 25 -3.303 7.241 -3.142 1.00 0.00 C ATOM 136 C GLY A 25 -2.554 8.360 -3.832 1.00 0.00 C ATOM 137 O GLY A 25 -2.566 9.485 -3.355 1.00 0.00 O ATOM 0 H GLY A 25 -1.380 6.486 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.140 6.901 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.717 7.579 -2.192 1.00 0.00 H new ATOM 141 N LYS A 26 -1.880 8.006 -4.956 1.00 0.00 N ATOM 142 CA LYS A 26 -1.053 8.961 -5.694 1.00 0.00 C ATOM 143 C LYS A 26 -1.750 9.025 -7.023 1.00 0.00 C ATOM 144 O LYS A 26 -1.236 8.464 -7.970 1.00 0.00 O ATOM 145 CB LYS A 26 0.445 8.561 -5.902 1.00 0.00 C ATOM 146 CG LYS A 26 1.089 7.920 -4.658 1.00 0.00 C ATOM 147 CD LYS A 26 0.867 6.377 -4.611 1.00 0.00 C ATOM 148 CE LYS A 26 1.989 5.508 -5.253 1.00 0.00 C ATOM 149 NZ LYS A 26 1.881 5.314 -6.709 1.00 0.00 N ATOM 0 H LYS A 26 -1.900 7.069 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.976 9.896 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.514 7.864 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.014 9.448 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.158 8.132 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.671 8.373 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.754 6.077 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.074 6.149 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.952 5.969 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.988 4.530 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.464 4.502 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.889 5.134 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.214 6.169 -7.199 1.00 0.00 H new ATOM 163 N GLU A 27 -2.939 9.655 -7.123 1.00 0.00 N ATOM 164 CA GLU A 27 -3.689 9.639 -8.387 1.00 0.00 C ATOM 165 C GLU A 27 -2.795 9.668 -9.620 1.00 0.00 C ATOM 166 O GLU A 27 -3.132 9.037 -10.610 1.00 0.00 O ATOM 167 CB GLU A 27 -4.806 10.734 -8.414 1.00 0.00 C ATOM 168 CG GLU A 27 -4.570 11.835 -9.481 1.00 0.00 C ATOM 169 CD GLU A 27 -5.605 12.936 -9.412 1.00 0.00 C ATOM 170 OE1 GLU A 27 -6.343 13.029 -8.393 1.00 0.00 O ATOM 171 OE2 GLU A 27 -5.685 13.730 -10.391 1.00 0.00 O ATOM 0 H GLU A 27 -3.387 10.167 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.195 8.675 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.767 10.256 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.870 11.200 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.577 12.264 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.588 11.385 -10.474 1.00 0.00 H new ATOM 178 N ASN A 28 -1.634 10.370 -9.568 1.00 0.00 N ATOM 179 CA ASN A 28 -0.668 10.357 -10.677 1.00 0.00 C ATOM 180 C ASN A 28 -0.272 8.978 -11.193 1.00 0.00 C ATOM 181 O ASN A 28 0.283 8.933 -12.279 1.00 0.00 O ATOM 182 CB ASN A 28 0.634 11.098 -10.256 1.00 0.00 C ATOM 183 CG ASN A 28 1.595 11.283 -11.410 1.00 0.00 C ATOM 184 OD1 ASN A 28 1.158 11.710 -12.468 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.904 10.983 -11.248 1.00 0.00 N ATOM 0 H ASN A 28 -1.353 10.945 -8.774 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.191 10.856 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.376 12.073 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.128 10.536 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.556 11.112 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.239 10.628 -10.352 1.00 0.00 H new ATOM 192 N ILE A 29 -0.540 7.882 -10.441 1.00 0.00 N ATOM 193 CA ILE A 29 -0.377 6.482 -10.864 1.00 0.00 C ATOM 194 C ILE A 29 -0.099 6.219 -12.342 1.00 0.00 C ATOM 195 O ILE A 29 -0.683 6.901 -13.169 1.00 0.00 O ATOM 196 CB ILE A 29 -1.627 5.663 -10.351 1.00 0.00 C ATOM 197 CG1 ILE A 29 -1.327 4.685 -9.167 1.00 0.00 C ATOM 198 CG2 ILE A 29 -2.417 4.969 -11.507 1.00 0.00 C ATOM 199 CD1 ILE A 29 -1.701 5.233 -7.760 1.00 0.00 C ATOM 0 H ILE A 29 -0.889 7.960 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 29 0.552 6.145 -10.404 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.285 6.422 -9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.870 3.755 -9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.265 4.440 -9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.264 4.422 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.779 5.724 -12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.760 4.276 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.458 4.488 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.139 6.146 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.769 5.450 -7.726 1.00 0.00 H new ATOM 211 N THR A 30 0.756 5.219 -12.700 1.00 0.00 N ATOM 212 CA THR A 30 1.097 4.944 -14.106 1.00 0.00 C ATOM 213 C THR A 30 0.943 3.465 -14.462 1.00 0.00 C ATOM 214 O THR A 30 0.184 3.190 -15.380 1.00 0.00 O ATOM 215 CB THR A 30 2.481 5.531 -14.539 1.00 0.00 C ATOM 216 OG1 THR A 30 3.026 4.687 -15.568 1.00 0.00 O ATOM 217 CG2 THR A 30 3.492 5.653 -13.375 1.00 0.00 C ATOM 0 H THR A 30 1.213 4.600 -12.031 1.00 0.00 H new ATOM 0 HA THR A 30 0.360 5.485 -14.700 1.00 0.00 H new ATOM 0 HB THR A 30 2.311 6.545 -14.900 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.894 5.040 -15.855 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.429 6.067 -13.748 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.085 6.311 -12.607 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.676 4.667 -12.948 1.00 0.00 H new ATOM 225 N ASN A 31 1.621 2.484 -13.807 1.00 0.00 N ATOM 226 CA ASN A 31 1.481 1.068 -14.198 1.00 0.00 C ATOM 227 C ASN A 31 1.331 0.206 -12.963 1.00 0.00 C ATOM 228 O ASN A 31 2.244 0.222 -12.156 1.00 0.00 O ATOM 229 CB ASN A 31 2.710 0.583 -15.018 1.00 0.00 C ATOM 230 CG ASN A 31 2.356 0.406 -16.477 1.00 0.00 C ATOM 231 OD1 ASN A 31 2.130 -0.718 -16.900 1.00 0.00 O ATOM 232 ND2 ASN A 31 2.284 1.498 -17.269 1.00 0.00 N ATOM 0 H ASN A 31 2.254 2.649 -13.024 1.00 0.00 H new ATOM 0 HA ASN A 31 0.593 0.980 -14.824 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.522 1.304 -14.923 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.073 -0.361 -14.612 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.035 1.399 -18.253 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.479 2.422 -16.883 1.00 0.00 H new ATOM 239 N LEU A 32 0.208 -0.532 -12.775 1.00 0.00 N ATOM 240 CA LEU A 32 -0.032 -1.232 -11.512 1.00 0.00 C ATOM 241 C LEU A 32 -0.570 -2.616 -11.836 1.00 0.00 C ATOM 242 O LEU A 32 -0.707 -2.936 -13.006 1.00 0.00 O ATOM 243 CB LEU A 32 -1.034 -0.477 -10.575 1.00 0.00 C ATOM 244 CG LEU A 32 -1.353 1.025 -10.838 1.00 0.00 C ATOM 245 CD1 LEU A 32 -0.141 1.949 -10.571 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.012 1.279 -12.221 1.00 0.00 C ATOM 0 H LEU A 32 -0.526 -0.650 -13.474 1.00 0.00 H new ATOM 0 HA LEU A 32 0.911 -1.289 -10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.978 -1.020 -10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.651 -0.555 -9.558 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.109 1.298 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.421 2.983 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.169 1.851 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.684 1.664 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.208 2.345 -12.340 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.341 0.943 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.951 0.728 -12.283 1.00 0.00 H new ATOM 258 N ASP A 33 -0.900 -3.452 -10.823 1.00 0.00 N ATOM 259 CA ASP A 33 -1.490 -4.763 -11.102 1.00 0.00 C ATOM 260 C ASP A 33 -2.289 -5.212 -9.884 1.00 0.00 C ATOM 261 O ASP A 33 -1.813 -6.017 -9.097 1.00 0.00 O ATOM 262 CB ASP A 33 -0.374 -5.738 -11.587 1.00 0.00 C ATOM 263 CG ASP A 33 -0.499 -6.125 -13.042 1.00 0.00 C ATOM 264 OD1 ASP A 33 -1.430 -6.908 -13.370 1.00 0.00 O ATOM 265 OD2 ASP A 33 0.332 -5.655 -13.870 1.00 0.00 O ATOM 0 H ASP A 33 -0.769 -3.241 -9.834 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.208 -4.733 -11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.598 -5.273 -11.426 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.401 -6.640 -10.976 1.00 0.00 H new ATOM 270 N ALA A 34 -3.524 -4.675 -9.710 1.00 0.00 N ATOM 271 CA ALA A 34 -4.349 -5.042 -8.553 1.00 0.00 C ATOM 272 C ALA A 34 -4.841 -6.469 -8.655 1.00 0.00 C ATOM 273 O ALA A 34 -4.971 -6.934 -9.776 1.00 0.00 O ATOM 274 CB ALA A 34 -5.568 -4.096 -8.385 1.00 0.00 C ATOM 0 H ALA A 34 -3.954 -4.003 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.707 -4.944 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.151 -4.404 -7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.218 -3.074 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.192 -4.145 -9.277 1.00 0.00 H new ATOM 280 N CYS A 35 -5.115 -7.171 -7.524 1.00 0.00 N ATOM 281 CA CYS A 35 -5.593 -8.557 -7.618 1.00 0.00 C ATOM 282 C CYS A 35 -5.980 -9.148 -6.270 1.00 0.00 C ATOM 283 O CYS A 35 -5.827 -8.471 -5.264 1.00 0.00 O ATOM 284 CB CYS A 35 -4.534 -9.452 -8.325 1.00 0.00 C ATOM 285 SG CYS A 35 -5.122 -10.054 -9.945 1.00 0.00 S ATOM 0 H CYS A 35 -5.015 -6.809 -6.576 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.503 -8.533 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.613 -8.885 -8.461 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.294 -10.303 -7.687 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.348 -9.041 -10.728 1.00 0.00 H new ATOM 291 N ILE A 36 -6.493 -10.409 -6.257 1.00 0.00 N ATOM 292 CA ILE A 36 -7.074 -11.006 -5.049 1.00 0.00 C ATOM 293 C ILE A 36 -6.418 -10.557 -3.758 1.00 0.00 C ATOM 294 O ILE A 36 -7.071 -9.885 -2.972 1.00 0.00 O ATOM 295 CB ILE A 36 -7.301 -12.561 -5.085 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.037 -13.487 -5.121 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.301 -12.970 -6.208 1.00 0.00 C ATOM 298 CD1 ILE A 36 -5.030 -13.220 -6.272 1.00 0.00 C ATOM 0 H ILE A 36 -6.510 -11.020 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.080 -10.585 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.724 -12.747 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.510 -13.385 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.371 -14.522 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.432 -14.052 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.262 -12.487 -6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.909 -12.658 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.197 -13.919 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.530 -13.354 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.655 -12.199 -6.198 1.00 0.00 H new ATOM 310 N THR A 37 -5.135 -10.899 -3.515 1.00 0.00 N ATOM 311 CA THR A 37 -4.445 -10.464 -2.309 1.00 0.00 C ATOM 312 C THR A 37 -3.079 -9.980 -2.760 1.00 0.00 C ATOM 313 O THR A 37 -2.092 -10.156 -2.066 1.00 0.00 O ATOM 314 CB THR A 37 -4.478 -11.645 -1.301 1.00 0.00 C ATOM 315 OG1 THR A 37 -5.842 -11.928 -0.949 1.00 0.00 O ATOM 316 CG2 THR A 37 -3.781 -11.299 0.032 1.00 0.00 C ATOM 0 H THR A 37 -4.569 -11.472 -4.141 1.00 0.00 H new ATOM 0 HA THR A 37 -4.900 -9.631 -1.773 1.00 0.00 H new ATOM 0 HB THR A 37 -3.973 -12.479 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.868 -12.674 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.831 -12.157 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.738 -11.047 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.281 -10.448 0.494 1.00 0.00 H new ATOM 324 N ARG A 38 -3.030 -9.356 -3.968 1.00 0.00 N ATOM 325 CA ARG A 38 -1.766 -9.026 -4.619 1.00 0.00 C ATOM 326 C ARG A 38 -1.994 -7.688 -5.274 1.00 0.00 C ATOM 327 O ARG A 38 -2.849 -7.649 -6.144 1.00 0.00 O ATOM 328 CB ARG A 38 -1.439 -10.117 -5.682 1.00 0.00 C ATOM 329 CG ARG A 38 -0.203 -9.801 -6.590 1.00 0.00 C ATOM 330 CD ARG A 38 -0.581 -9.639 -8.086 1.00 0.00 C ATOM 331 NE ARG A 38 -1.116 -10.903 -8.606 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.375 -11.924 -8.991 1.00 0.00 C ATOM 333 NH1 ARG A 38 0.939 -11.925 -8.974 1.00 0.00 N ATOM 334 NH2 ARG A 38 -0.985 -13.007 -9.416 1.00 0.00 N ATOM 0 H ARG A 38 -3.857 -9.079 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.928 -8.986 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.263 -11.062 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.313 -10.258 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.275 -8.886 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.530 -10.602 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.321 -8.847 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.296 -9.341 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.129 -10.998 -8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.445 -11.101 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.452 -12.749 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.004 -13.042 -9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.440 -13.813 -9.721 1.00 0.00 H new ATOM 348 N LEU A 39 -1.282 -6.612 -4.874 1.00 0.00 N ATOM 349 CA LEU A 39 -1.500 -5.292 -5.476 1.00 0.00 C ATOM 350 C LEU A 39 -0.179 -4.659 -5.838 1.00 0.00 C ATOM 351 O LEU A 39 0.719 -4.750 -5.020 1.00 0.00 O ATOM 352 CB LEU A 39 -2.537 -4.450 -4.654 1.00 0.00 C ATOM 353 CG LEU A 39 -2.109 -4.068 -3.198 1.00 0.00 C ATOM 354 CD1 LEU A 39 -1.408 -2.683 -3.157 1.00 0.00 C ATOM 355 CD2 LEU A 39 -3.328 -4.013 -2.226 1.00 0.00 C ATOM 0 H LEU A 39 -0.565 -6.636 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.003 -5.371 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.746 -3.532 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.471 -5.010 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.419 -4.849 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.124 -2.449 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.516 -2.708 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.091 -1.919 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.985 -3.744 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.041 -3.267 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.812 -4.989 -2.193 1.00 0.00 H new ATOM 367 N ARG A 40 0.007 -4.070 -7.050 1.00 0.00 N ATOM 368 CA ARG A 40 1.321 -3.529 -7.396 1.00 0.00 C ATOM 369 C ARG A 40 1.238 -2.033 -7.590 1.00 0.00 C ATOM 370 O ARG A 40 0.129 -1.528 -7.612 1.00 0.00 O ATOM 371 CB ARG A 40 2.082 -4.231 -8.556 1.00 0.00 C ATOM 372 CG ARG A 40 1.745 -5.711 -8.901 1.00 0.00 C ATOM 373 CD ARG A 40 1.802 -6.971 -7.966 1.00 0.00 C ATOM 374 NE ARG A 40 2.615 -7.096 -6.749 1.00 0.00 N ATOM 375 CZ ARG A 40 3.218 -8.202 -6.312 1.00 0.00 C ATOM 376 NH1 ARG A 40 3.309 -9.341 -6.957 1.00 0.00 N ATOM 377 NH2 ARG A 40 3.779 -8.176 -5.122 1.00 0.00 N ATOM 0 H ARG A 40 -0.711 -3.967 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 40 1.948 -3.757 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.923 -3.640 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.146 -4.182 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.723 -5.686 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.390 -5.957 -9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.774 -7.157 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.097 -7.802 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 40 2.729 -6.255 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.894 -9.437 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.795 -10.131 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.745 -7.325 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.248 -9.007 -4.761 1.00 0.00 H new ATOM 391 N VAL A 41 2.390 -1.331 -7.725 1.00 0.00 N ATOM 392 CA VAL A 41 2.362 0.120 -7.906 1.00 0.00 C ATOM 393 C VAL A 41 3.670 0.554 -8.555 1.00 0.00 C ATOM 394 O VAL A 41 4.587 0.897 -7.829 1.00 0.00 O ATOM 395 CB VAL A 41 2.041 0.875 -6.564 1.00 0.00 C ATOM 396 CG1 VAL A 41 0.889 1.899 -6.756 1.00 0.00 C ATOM 397 CG2 VAL A 41 1.729 -0.050 -5.347 1.00 0.00 C ATOM 0 H VAL A 41 3.323 -1.744 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 41 1.546 0.395 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 41 2.967 1.394 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.690 2.405 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.177 2.634 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.010 1.378 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.521 0.562 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.860 -0.668 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.588 -0.691 -5.147 1.00 0.00 H new ATOM 407 N SER A 42 3.808 0.543 -9.908 1.00 0.00 N ATOM 408 CA SER A 42 5.081 0.910 -10.538 1.00 0.00 C ATOM 409 C SER A 42 5.105 2.369 -10.902 1.00 0.00 C ATOM 410 O SER A 42 4.505 2.681 -11.916 1.00 0.00 O ATOM 411 CB SER A 42 5.365 0.078 -11.819 1.00 0.00 C ATOM 412 OG SER A 42 6.524 0.595 -12.494 1.00 0.00 O ATOM 0 H SER A 42 3.066 0.289 -10.560 1.00 0.00 H new ATOM 0 HA SER A 42 5.855 0.697 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.524 -0.968 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.502 0.112 -12.483 1.00 0.00 H new ATOM 0 HG SER A 42 7.066 -0.149 -12.830 1.00 0.00 H new ATOM 418 N VAL A 43 5.777 3.251 -10.116 1.00 0.00 N ATOM 419 CA VAL A 43 5.697 4.684 -10.385 1.00 0.00 C ATOM 420 C VAL A 43 7.002 5.419 -10.181 1.00 0.00 C ATOM 421 O VAL A 43 7.903 4.863 -9.574 1.00 0.00 O ATOM 422 CB VAL A 43 4.601 5.281 -9.457 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.262 4.513 -9.649 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.054 5.239 -7.967 1.00 0.00 C ATOM 0 H VAL A 43 6.359 2.992 -9.319 1.00 0.00 H new ATOM 0 HA VAL A 43 5.451 4.812 -11.439 1.00 0.00 H new ATOM 0 HB VAL A 43 4.446 6.325 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.501 4.939 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.938 4.600 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.407 3.462 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.272 5.662 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.239 4.206 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.969 5.820 -7.848 1.00 0.00 H new ATOM 434 N ALA A 44 7.089 6.682 -10.672 1.00 0.00 N ATOM 435 CA ALA A 44 8.254 7.521 -10.407 1.00 0.00 C ATOM 436 C ALA A 44 8.084 8.304 -9.123 1.00 0.00 C ATOM 437 O ALA A 44 9.036 8.973 -8.750 1.00 0.00 O ATOM 438 CB ALA A 44 8.509 8.482 -11.596 1.00 0.00 C ATOM 0 H ALA A 44 6.370 7.124 -11.244 1.00 0.00 H new ATOM 0 HA ALA A 44 9.119 6.868 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.381 9.101 -11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.688 7.902 -12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.638 9.120 -11.741 1.00 0.00 H new ATOM 444 N ASP A 45 6.930 8.253 -8.409 1.00 0.00 N ATOM 445 CA ASP A 45 6.862 8.844 -7.070 1.00 0.00 C ATOM 446 C ASP A 45 7.673 7.988 -6.111 1.00 0.00 C ATOM 447 O ASP A 45 7.101 7.478 -5.160 1.00 0.00 O ATOM 448 CB ASP A 45 5.401 9.006 -6.553 1.00 0.00 C ATOM 449 CG ASP A 45 4.473 9.685 -7.534 1.00 0.00 C ATOM 450 OD1 ASP A 45 4.484 9.286 -8.731 1.00 0.00 O ATOM 451 OD2 ASP A 45 3.715 10.607 -7.125 1.00 0.00 O ATOM 0 H ASP A 45 6.065 7.821 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 45 7.279 9.850 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.001 8.021 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.416 9.580 -5.626 1.00 0.00 H new ATOM 456 N VAL A 46 9.005 7.832 -6.330 1.00 0.00 N ATOM 457 CA VAL A 46 9.858 7.165 -5.348 1.00 0.00 C ATOM 458 C VAL A 46 10.518 8.235 -4.493 1.00 0.00 C ATOM 459 O VAL A 46 11.511 7.933 -3.852 1.00 0.00 O ATOM 460 CB VAL A 46 10.857 6.180 -6.041 1.00 0.00 C ATOM 461 CG1 VAL A 46 12.017 6.906 -6.778 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.446 5.122 -5.061 1.00 0.00 C ATOM 0 H VAL A 46 9.491 8.157 -7.166 1.00 0.00 H new ATOM 0 HA VAL A 46 9.271 6.529 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 46 10.252 5.661 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.675 6.168 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.607 7.557 -7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.584 7.503 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.131 4.468 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.983 5.628 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.636 4.528 -4.637 1.00 0.00 H new ATOM 472 N SER A 47 10.001 9.493 -4.470 1.00 0.00 N ATOM 473 CA SER A 47 10.689 10.587 -3.782 1.00 0.00 C ATOM 474 C SER A 47 10.920 10.262 -2.321 1.00 0.00 C ATOM 475 O SER A 47 12.010 9.805 -2.005 1.00 0.00 O ATOM 476 CB SER A 47 9.944 11.937 -3.993 1.00 0.00 C ATOM 477 OG SER A 47 10.433 12.964 -3.114 1.00 0.00 O ATOM 0 H SER A 47 9.123 9.759 -4.916 1.00 0.00 H new ATOM 0 HA SER A 47 11.677 10.704 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.062 12.259 -5.028 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.877 11.793 -3.824 1.00 0.00 H new ATOM 0 HG SER A 47 9.942 13.796 -3.278 1.00 0.00 H new ATOM 483 N LYS A 48 9.919 10.489 -1.432 1.00 0.00 N ATOM 484 CA LYS A 48 10.042 10.082 -0.029 1.00 0.00 C ATOM 485 C LYS A 48 9.152 8.900 0.276 1.00 0.00 C ATOM 486 O LYS A 48 9.004 8.600 1.451 1.00 0.00 O ATOM 487 CB LYS A 48 9.692 11.249 0.940 1.00 0.00 C ATOM 488 CG LYS A 48 8.309 11.936 0.712 1.00 0.00 C ATOM 489 CD LYS A 48 7.090 10.972 0.639 1.00 0.00 C ATOM 490 CE LYS A 48 5.720 11.706 0.516 1.00 0.00 C ATOM 491 NZ LYS A 48 5.311 12.407 1.753 1.00 0.00 N ATOM 0 H LYS A 48 9.037 10.944 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 48 11.083 9.798 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.723 10.869 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.470 12.008 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.139 12.649 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.355 12.508 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.214 10.307 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.079 10.346 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.776 12.427 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.951 10.981 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.393 12.872 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.227 11.720 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.025 13.122 1.999 1.00 0.00 H new ATOM 505 N VAL A 49 8.544 8.246 -0.745 1.00 0.00 N ATOM 506 CA VAL A 49 7.571 7.187 -0.495 1.00 0.00 C ATOM 507 C VAL A 49 7.908 6.393 0.744 1.00 0.00 C ATOM 508 O VAL A 49 9.078 6.102 0.937 1.00 0.00 O ATOM 509 CB VAL A 49 7.514 6.241 -1.728 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.916 5.657 -2.071 1.00 0.00 C ATOM 511 CG2 VAL A 49 6.429 5.154 -1.515 1.00 0.00 C ATOM 0 H VAL A 49 8.716 8.440 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 49 6.599 7.653 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 49 7.221 6.819 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.835 5.001 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.604 6.472 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.292 5.089 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.397 4.497 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.669 4.570 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.457 5.630 -1.384 1.00 0.00 H new ATOM 521 N ASP A 50 6.924 6.030 1.602 1.00 0.00 N ATOM 522 CA ASP A 50 7.253 5.273 2.810 1.00 0.00 C ATOM 523 C ASP A 50 6.978 3.805 2.554 1.00 0.00 C ATOM 524 O ASP A 50 6.325 3.173 3.364 1.00 0.00 O ATOM 525 CB ASP A 50 6.487 5.895 4.004 1.00 0.00 C ATOM 526 CG ASP A 50 7.052 5.492 5.345 1.00 0.00 C ATOM 527 OD1 ASP A 50 7.668 4.395 5.444 1.00 0.00 O ATOM 528 OD2 ASP A 50 6.883 6.275 6.319 1.00 0.00 O ATOM 0 H ASP A 50 5.934 6.244 1.479 1.00 0.00 H new ATOM 0 HA ASP A 50 8.309 5.331 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.512 6.981 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.440 5.595 3.952 1.00 0.00 H new ATOM 533 N GLN A 51 7.495 3.263 1.425 1.00 0.00 N ATOM 534 CA GLN A 51 7.306 1.845 1.060 1.00 0.00 C ATOM 535 C GLN A 51 7.808 0.986 2.200 1.00 0.00 C ATOM 536 O GLN A 51 7.158 0.009 2.540 1.00 0.00 O ATOM 537 CB GLN A 51 7.981 1.321 -0.262 1.00 0.00 C ATOM 538 CG GLN A 51 9.048 2.304 -0.799 1.00 0.00 C ATOM 539 CD GLN A 51 9.983 1.895 -1.908 1.00 0.00 C ATOM 540 OE1 GLN A 51 9.517 1.519 -2.973 1.00 0.00 O ATOM 541 NE2 GLN A 51 11.315 2.011 -1.688 1.00 0.00 N ATOM 0 H GLN A 51 8.048 3.792 0.751 1.00 0.00 H new ATOM 0 HA GLN A 51 6.236 1.773 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.443 0.352 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.216 1.166 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.521 3.196 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.666 2.601 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.656 2.329 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.976 1.780 -2.429 1.00 0.00 H new ATOM 550 N ALA A 52 8.969 1.350 2.791 1.00 0.00 N ATOM 551 CA ALA A 52 9.487 0.586 3.923 1.00 0.00 C ATOM 552 C ALA A 52 8.434 0.446 5.002 1.00 0.00 C ATOM 553 O ALA A 52 8.399 -0.573 5.673 1.00 0.00 O ATOM 554 CB ALA A 52 10.758 1.251 4.509 1.00 0.00 C ATOM 0 H ALA A 52 9.542 2.144 2.506 1.00 0.00 H new ATOM 0 HA ALA A 52 9.752 -0.406 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.122 0.661 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.529 1.302 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.518 2.258 4.849 1.00 0.00 H new ATOM 560 N GLY A 53 7.557 1.461 5.180 1.00 0.00 N ATOM 561 CA GLY A 53 6.391 1.275 6.039 1.00 0.00 C ATOM 562 C GLY A 53 5.286 0.579 5.278 1.00 0.00 C ATOM 563 O GLY A 53 4.632 -0.277 5.847 1.00 0.00 O ATOM 0 H GLY A 53 7.638 2.383 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.666 0.687 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.040 2.241 6.402 1.00 0.00 H new ATOM 567 N LEU A 54 5.023 0.950 4.005 1.00 0.00 N ATOM 568 CA LEU A 54 3.797 0.507 3.341 1.00 0.00 C ATOM 569 C LEU A 54 3.735 -0.990 3.220 1.00 0.00 C ATOM 570 O LEU A 54 2.634 -1.509 3.159 1.00 0.00 O ATOM 571 CB LEU A 54 3.573 1.144 1.937 1.00 0.00 C ATOM 572 CG LEU A 54 2.072 1.309 1.521 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.769 2.755 1.034 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.593 0.244 0.490 1.00 0.00 C ATOM 0 H LEU A 54 5.631 1.540 3.437 1.00 0.00 H new ATOM 0 HA LEU A 54 2.994 0.856 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.050 2.124 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.077 0.530 1.191 1.00 0.00 H new ATOM 0 HG LEU A 54 1.491 1.130 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.718 2.832 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.983 3.461 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.393 2.986 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.545 0.418 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.193 0.320 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.705 -0.752 0.917 1.00 0.00 H new ATOM 586 N LYS A 55 4.877 -1.709 3.181 1.00 0.00 N ATOM 587 CA LYS A 55 4.801 -3.164 3.102 1.00 0.00 C ATOM 588 C LYS A 55 4.221 -3.770 4.342 1.00 0.00 C ATOM 589 O LYS A 55 3.414 -4.673 4.222 1.00 0.00 O ATOM 590 CB LYS A 55 6.134 -3.893 2.762 1.00 0.00 C ATOM 591 CG LYS A 55 7.076 -4.342 3.916 1.00 0.00 C ATOM 592 CD LYS A 55 7.937 -3.189 4.499 1.00 0.00 C ATOM 593 CE LYS A 55 9.463 -3.384 4.255 1.00 0.00 C ATOM 594 NZ LYS A 55 9.828 -3.339 2.819 1.00 0.00 N ATOM 0 H LYS A 55 5.819 -1.318 3.202 1.00 0.00 H new ATOM 0 HA LYS A 55 4.135 -3.323 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.882 -4.781 2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.708 -3.237 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.476 -4.776 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.736 -5.128 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.621 -2.246 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.753 -3.112 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.013 -2.609 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.773 -4.341 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.854 -3.474 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.327 -4.095 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.559 -2.416 2.421 1.00 0.00 H new ATOM 608 N LYS A 56 4.650 -3.292 5.523 1.00 0.00 N ATOM 609 CA LYS A 56 4.169 -3.846 6.790 1.00 0.00 C ATOM 610 C LYS A 56 3.057 -3.007 7.385 1.00 0.00 C ATOM 611 O LYS A 56 2.473 -3.442 8.364 1.00 0.00 O ATOM 612 CB LYS A 56 5.373 -4.080 7.745 1.00 0.00 C ATOM 613 CG LYS A 56 6.081 -2.776 8.224 1.00 0.00 C ATOM 614 CD LYS A 56 7.553 -3.037 8.666 1.00 0.00 C ATOM 615 CE LYS A 56 7.671 -3.664 10.080 1.00 0.00 C ATOM 616 NZ LYS A 56 7.559 -2.635 11.141 1.00 0.00 N ATOM 0 H LYS A 56 5.322 -2.531 5.621 1.00 0.00 H new ATOM 0 HA LYS A 56 3.710 -4.819 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.026 -4.632 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.104 -4.711 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.069 -2.041 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.524 -2.346 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.030 -3.699 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.102 -2.096 8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.890 -4.413 10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.627 -4.180 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.642 -3.088 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.319 -1.935 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.637 -2.160 11.068 1.00 0.00 H new ATOM 630 N LEU A 57 2.742 -1.820 6.808 1.00 0.00 N ATOM 631 CA LEU A 57 1.678 -0.951 7.314 1.00 0.00 C ATOM 632 C LEU A 57 0.549 -0.782 6.301 1.00 0.00 C ATOM 633 O LEU A 57 -0.550 -0.525 6.753 1.00 0.00 O ATOM 634 CB LEU A 57 2.326 0.416 7.689 1.00 0.00 C ATOM 635 CG LEU A 57 1.805 1.105 8.986 1.00 0.00 C ATOM 636 CD1 LEU A 57 2.401 2.532 9.141 1.00 0.00 C ATOM 637 CD2 LEU A 57 0.266 1.214 9.031 1.00 0.00 C ATOM 0 H LEU A 57 3.221 -1.451 5.986 1.00 0.00 H new ATOM 0 HA LEU A 57 1.217 -1.402 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.401 0.266 7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.178 1.103 6.856 1.00 0.00 H new ATOM 0 HG LEU A 57 2.131 0.467 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.020 2.988 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.488 2.469 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.114 3.141 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.037 1.702 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.082 1.801 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.171 0.216 8.987 1.00 0.00 H new ATOM 649 N GLY A 58 0.719 -0.918 4.961 1.00 0.00 N ATOM 650 CA GLY A 58 -0.403 -0.807 4.015 1.00 0.00 C ATOM 651 C GLY A 58 -0.730 -2.133 3.367 1.00 0.00 C ATOM 652 O GLY A 58 -1.892 -2.506 3.352 1.00 0.00 O ATOM 0 H GLY A 58 1.620 -1.104 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.283 -0.432 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.156 -0.077 3.244 1.00 0.00 H new ATOM 656 N ALA A 59 0.288 -2.857 2.843 1.00 0.00 N ATOM 657 CA ALA A 59 0.104 -4.226 2.370 1.00 0.00 C ATOM 658 C ALA A 59 0.809 -5.111 3.380 1.00 0.00 C ATOM 659 O ALA A 59 0.909 -4.673 4.514 1.00 0.00 O ATOM 660 CB ALA A 59 0.662 -4.277 0.923 1.00 0.00 C ATOM 0 H ALA A 59 1.240 -2.505 2.743 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.927 -4.574 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.547 -5.285 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.113 -3.574 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.718 -4.009 0.931 1.00 0.00 H new ATOM 666 N ALA A 60 1.302 -6.322 3.029 1.00 0.00 N ATOM 667 CA ALA A 60 1.964 -7.214 3.991 1.00 0.00 C ATOM 668 C ALA A 60 3.160 -7.869 3.337 1.00 0.00 C ATOM 669 O ALA A 60 3.342 -9.071 3.455 1.00 0.00 O ATOM 670 CB ALA A 60 0.984 -8.269 4.552 1.00 0.00 C ATOM 0 H ALA A 60 1.250 -6.698 2.082 1.00 0.00 H new ATOM 0 HA ALA A 60 2.307 -6.619 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.507 -8.912 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.160 -7.767 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.593 -8.874 3.734 1.00 0.00 H new ATOM 676 N GLY A 61 3.982 -7.060 2.634 1.00 0.00 N ATOM 677 CA GLY A 61 5.165 -7.576 1.948 1.00 0.00 C ATOM 678 C GLY A 61 5.246 -6.895 0.606 1.00 0.00 C ATOM 679 O GLY A 61 4.272 -6.978 -0.125 1.00 0.00 O ATOM 0 H GLY A 61 3.841 -6.055 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.063 -7.378 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.096 -8.657 1.825 1.00 0.00 H new ATOM 683 N VAL A 62 6.360 -6.203 0.261 1.00 0.00 N ATOM 684 CA VAL A 62 6.443 -5.540 -1.041 1.00 0.00 C ATOM 685 C VAL A 62 7.841 -5.764 -1.561 1.00 0.00 C ATOM 686 O VAL A 62 8.686 -6.197 -0.794 1.00 0.00 O ATOM 687 CB VAL A 62 6.043 -4.019 -1.093 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.834 -3.666 -0.176 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.263 -3.095 -0.807 1.00 0.00 C ATOM 0 H VAL A 62 7.184 -6.097 0.853 1.00 0.00 H new ATOM 0 HA VAL A 62 5.680 -5.992 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 62 5.711 -3.833 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.612 -2.602 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.963 -4.244 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.080 -3.904 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.948 -2.052 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.659 -3.312 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.037 -3.272 -1.554 1.00 0.00 H new ATOM 699 N VAL A 63 8.095 -5.483 -2.855 1.00 0.00 N ATOM 700 CA VAL A 63 9.428 -5.666 -3.425 1.00 0.00 C ATOM 701 C VAL A 63 9.695 -4.404 -4.205 1.00 0.00 C ATOM 702 O VAL A 63 8.751 -3.936 -4.819 1.00 0.00 O ATOM 703 CB VAL A 63 9.547 -6.961 -4.294 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.263 -7.831 -4.205 1.00 0.00 C ATOM 705 CG2 VAL A 63 9.914 -6.674 -5.775 1.00 0.00 C ATOM 0 H VAL A 63 7.398 -5.133 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 63 10.177 -5.819 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 63 10.377 -7.525 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.383 -8.722 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.095 -8.127 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.408 -7.256 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.981 -7.614 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.145 -6.046 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.874 -6.160 -5.819 1.00 0.00 H new ATOM 715 N VAL A 64 10.929 -3.849 -4.192 1.00 0.00 N ATOM 716 CA VAL A 64 11.197 -2.601 -4.895 1.00 0.00 C ATOM 717 C VAL A 64 12.184 -2.933 -5.991 1.00 0.00 C ATOM 718 O VAL A 64 13.266 -3.387 -5.653 1.00 0.00 O ATOM 719 CB VAL A 64 11.791 -1.562 -3.905 1.00 0.00 C ATOM 720 CG1 VAL A 64 12.057 -0.217 -4.634 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.859 -1.364 -2.675 1.00 0.00 C ATOM 0 H VAL A 64 11.733 -4.247 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 64 10.290 -2.167 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 64 12.742 -1.943 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.473 0.503 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.764 -0.378 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.121 0.170 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.300 -0.631 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.885 -1.008 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.739 -2.313 -2.153 1.00 0.00 H new ATOM 731 N ALA A 65 11.836 -2.719 -7.282 1.00 0.00 N ATOM 732 CA ALA A 65 12.762 -3.011 -8.376 1.00 0.00 C ATOM 733 C ALA A 65 12.854 -1.766 -9.226 1.00 0.00 C ATOM 734 O ALA A 65 11.838 -1.445 -9.809 1.00 0.00 O ATOM 735 CB ALA A 65 12.189 -4.200 -9.191 1.00 0.00 C ATOM 0 H ALA A 65 10.932 -2.350 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 65 13.755 -3.282 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.864 -4.436 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.089 -5.071 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.211 -3.930 -9.590 1.00 0.00 H new ATOM 741 N GLY A 66 13.983 -1.028 -9.336 1.00 0.00 N ATOM 742 CA GLY A 66 13.969 0.193 -10.147 1.00 0.00 C ATOM 743 C GLY A 66 13.316 -0.075 -11.486 1.00 0.00 C ATOM 744 O GLY A 66 13.872 -0.892 -12.201 1.00 0.00 O ATOM 0 H GLY A 66 14.874 -1.249 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.428 0.981 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.988 0.551 -10.296 1.00 0.00 H new ATOM 748 N SER A 67 12.160 0.568 -11.804 1.00 0.00 N ATOM 749 CA SER A 67 11.336 0.215 -12.971 1.00 0.00 C ATOM 750 C SER A 67 9.934 -0.120 -12.501 1.00 0.00 C ATOM 751 O SER A 67 8.992 0.115 -13.242 1.00 0.00 O ATOM 752 CB SER A 67 11.802 -0.940 -13.901 1.00 0.00 C ATOM 753 OG SER A 67 11.937 -2.194 -13.208 1.00 0.00 O ATOM 0 H SER A 67 11.783 1.341 -11.255 1.00 0.00 H new ATOM 0 HA SER A 67 11.416 1.107 -13.593 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.087 -1.055 -14.716 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.758 -0.674 -14.352 1.00 0.00 H new ATOM 0 HG SER A 67 12.800 -2.220 -12.745 1.00 0.00 H new ATOM 759 N GLY A 68 9.778 -0.670 -11.273 1.00 0.00 N ATOM 760 CA GLY A 68 8.461 -0.953 -10.731 1.00 0.00 C ATOM 761 C GLY A 68 8.524 -1.562 -9.349 1.00 0.00 C ATOM 762 O GLY A 68 9.565 -2.071 -8.971 1.00 0.00 O ATOM 0 H GLY A 68 10.551 -0.919 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.881 -0.031 -10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.934 -1.633 -11.401 1.00 0.00 H new ATOM 766 N VAL A 69 7.412 -1.511 -8.586 1.00 0.00 N ATOM 767 CA VAL A 69 7.400 -1.962 -7.196 1.00 0.00 C ATOM 768 C VAL A 69 6.202 -2.874 -7.082 1.00 0.00 C ATOM 769 O VAL A 69 5.274 -2.726 -7.863 1.00 0.00 O ATOM 770 CB VAL A 69 7.273 -0.736 -6.254 1.00 0.00 C ATOM 771 CG1 VAL A 69 7.238 -1.099 -4.739 1.00 0.00 C ATOM 772 CG2 VAL A 69 8.391 0.297 -6.546 1.00 0.00 C ATOM 0 H VAL A 69 6.514 -1.160 -8.918 1.00 0.00 H new ATOM 0 HA VAL A 69 8.314 -2.484 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 69 6.302 -0.292 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.148 -0.187 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.384 -1.746 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.158 -1.618 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.284 1.149 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.365 -0.167 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.312 0.637 -7.579 1.00 0.00 H new ATOM 782 N GLN A 70 6.216 -3.822 -6.125 1.00 0.00 N ATOM 783 CA GLN A 70 5.209 -4.869 -6.105 1.00 0.00 C ATOM 784 C GLN A 70 4.801 -5.091 -4.669 1.00 0.00 C ATOM 785 O GLN A 70 5.662 -5.541 -3.942 1.00 0.00 O ATOM 786 CB GLN A 70 5.842 -6.110 -6.801 1.00 0.00 C ATOM 787 CG GLN A 70 5.515 -6.213 -8.319 1.00 0.00 C ATOM 788 CD GLN A 70 6.653 -6.863 -9.071 1.00 0.00 C ATOM 789 OE1 GLN A 70 7.494 -6.142 -9.587 1.00 0.00 O ATOM 790 NE2 GLN A 70 6.719 -8.209 -9.153 1.00 0.00 N ATOM 0 H GLN A 70 6.905 -3.874 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 70 4.295 -4.623 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.924 -6.074 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.492 -7.013 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.602 -6.792 -8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.327 -5.218 -8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.001 -8.783 -8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.487 -8.652 -9.657 1.00 0.00 H new ATOM 799 N ALA A 71 3.535 -4.806 -4.272 1.00 0.00 N ATOM 800 CA ALA A 71 3.001 -4.996 -2.933 1.00 0.00 C ATOM 801 C ALA A 71 2.179 -6.260 -2.853 1.00 0.00 C ATOM 802 O ALA A 71 1.723 -6.728 -3.883 1.00 0.00 O ATOM 803 CB ALA A 71 2.220 -3.689 -2.579 1.00 0.00 C ATOM 0 H ALA A 71 2.843 -4.422 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 71 3.785 -5.146 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.796 -3.778 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.901 -2.838 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.417 -3.538 -3.301 1.00 0.00 H new ATOM 809 N ILE A 72 2.012 -6.853 -1.645 1.00 0.00 N ATOM 810 CA ILE A 72 1.275 -8.116 -1.514 1.00 0.00 C ATOM 811 C ILE A 72 0.595 -8.085 -0.169 1.00 0.00 C ATOM 812 O ILE A 72 1.278 -7.599 0.717 1.00 0.00 O ATOM 813 CB ILE A 72 2.209 -9.365 -1.651 1.00 0.00 C ATOM 814 CG1 ILE A 72 1.510 -10.574 -2.346 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.797 -9.866 -0.302 1.00 0.00 C ATOM 816 CD1 ILE A 72 1.728 -10.546 -3.878 1.00 0.00 C ATOM 0 H ILE A 72 2.374 -6.479 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 72 0.546 -8.209 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 72 3.024 -8.998 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.901 -11.506 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.442 -10.554 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.433 -10.733 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.387 -9.072 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.984 -10.145 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.228 -11.402 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.314 -9.625 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.795 -10.592 -4.095 1.00 0.00 H new ATOM 828 N PHE A 73 -0.661 -8.554 0.045 1.00 0.00 N ATOM 829 CA PHE A 73 -1.243 -8.431 1.384 1.00 0.00 C ATOM 830 C PHE A 73 -1.714 -9.770 1.892 1.00 0.00 C ATOM 831 O PHE A 73 -2.731 -9.798 2.560 1.00 0.00 O ATOM 832 CB PHE A 73 -2.196 -7.200 1.504 1.00 0.00 C ATOM 833 CG PHE A 73 -3.536 -7.270 0.754 1.00 0.00 C ATOM 834 CD1 PHE A 73 -3.584 -7.210 -0.646 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.744 -7.346 1.470 1.00 0.00 C ATOM 836 CE1 PHE A 73 -4.811 -7.247 -1.312 1.00 0.00 C ATOM 837 CE2 PHE A 73 -5.972 -7.412 0.798 1.00 0.00 C ATOM 838 CZ PHE A 73 -6.004 -7.366 -0.598 1.00 0.00 C ATOM 0 H PHE A 73 -1.254 -8.996 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.478 -8.163 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.409 -7.040 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.657 -6.321 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.667 -7.135 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.725 -7.354 2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.837 -7.183 -2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.891 -7.498 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.947 -7.422 -1.122 1.00 0.00 H new ATOM 848 N GLY A 74 -0.961 -10.865 1.601 1.00 0.00 N ATOM 849 CA GLY A 74 -1.337 -12.219 2.008 1.00 0.00 C ATOM 850 C GLY A 74 -0.463 -12.723 3.127 1.00 0.00 C ATOM 851 O GLY A 74 0.131 -13.781 2.997 1.00 0.00 O ATOM 0 H GLY A 74 -0.085 -10.820 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.379 -12.228 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.260 -12.891 1.154 1.00 0.00 H new ATOM 855 N THR A 75 -0.436 -11.956 4.238 1.00 0.00 N ATOM 856 CA THR A 75 0.283 -12.376 5.448 1.00 0.00 C ATOM 857 C THR A 75 -0.438 -11.809 6.663 1.00 0.00 C ATOM 858 O THR A 75 -0.633 -12.549 7.615 1.00 0.00 O ATOM 859 CB THR A 75 1.813 -12.142 5.293 1.00 0.00 C ATOM 860 OG1 THR A 75 2.253 -13.033 4.248 1.00 0.00 O ATOM 861 CG2 THR A 75 2.619 -12.443 6.594 1.00 0.00 C ATOM 0 H THR A 75 -0.901 -11.052 4.317 1.00 0.00 H new ATOM 0 HA THR A 75 0.256 -13.453 5.615 1.00 0.00 H new ATOM 0 HB THR A 75 1.990 -11.091 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.518 -13.631 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.679 -12.259 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.268 -11.795 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.474 -13.485 6.879 1.00 0.00 H new ATOM 869 N LYS A 76 -0.887 -10.527 6.655 1.00 0.00 N ATOM 870 CA LYS A 76 -1.843 -10.051 7.652 1.00 0.00 C ATOM 871 C LYS A 76 -2.932 -9.235 6.960 1.00 0.00 C ATOM 872 O LYS A 76 -3.166 -8.104 7.351 1.00 0.00 O ATOM 873 CB LYS A 76 -1.102 -9.219 8.737 1.00 0.00 C ATOM 874 CG LYS A 76 -0.241 -10.027 9.746 1.00 0.00 C ATOM 875 CD LYS A 76 1.214 -10.262 9.247 1.00 0.00 C ATOM 876 CE LYS A 76 2.277 -9.290 9.847 1.00 0.00 C ATOM 877 NZ LYS A 76 2.122 -7.885 9.404 1.00 0.00 N ATOM 0 H LYS A 76 -0.599 -9.824 5.974 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.318 -10.896 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.457 -8.498 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.843 -8.648 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.212 -9.497 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.716 -10.990 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.504 -11.286 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.230 -10.170 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.216 -9.327 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.272 -9.640 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.861 -7.299 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.209 -7.836 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.186 -7.532 9.690 1.00 0.00 H new ATOM 891 N SER A 77 -3.644 -9.750 5.925 1.00 0.00 N ATOM 892 CA SER A 77 -4.684 -8.930 5.291 1.00 0.00 C ATOM 893 C SER A 77 -5.619 -8.373 6.341 1.00 0.00 C ATOM 894 O SER A 77 -5.955 -7.202 6.276 1.00 0.00 O ATOM 895 CB SER A 77 -5.561 -9.643 4.224 1.00 0.00 C ATOM 896 OG SER A 77 -6.361 -10.721 4.740 1.00 0.00 O ATOM 0 H SER A 77 -3.520 -10.684 5.534 1.00 0.00 H new ATOM 0 HA SER A 77 -4.120 -8.158 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.219 -8.907 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.913 -10.031 3.438 1.00 0.00 H new ATOM 0 HG SER A 77 -6.884 -11.117 4.012 1.00 0.00 H new ATOM 902 N ASP A 78 -6.052 -9.204 7.315 1.00 0.00 N ATOM 903 CA ASP A 78 -7.005 -8.725 8.316 1.00 0.00 C ATOM 904 C ASP A 78 -6.431 -7.605 9.157 1.00 0.00 C ATOM 905 O ASP A 78 -7.153 -6.660 9.431 1.00 0.00 O ATOM 906 CB ASP A 78 -7.463 -9.867 9.262 1.00 0.00 C ATOM 907 CG ASP A 78 -8.333 -10.838 8.499 1.00 0.00 C ATOM 908 OD1 ASP A 78 -7.771 -11.686 7.754 1.00 0.00 O ATOM 909 OD2 ASP A 78 -9.586 -10.753 8.632 1.00 0.00 O ATOM 0 H ASP A 78 -5.763 -10.176 7.421 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.861 -8.349 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.595 -10.384 9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.015 -9.454 10.106 1.00 0.00 H new ATOM 914 N ASN A 79 -5.151 -7.687 9.588 1.00 0.00 N ATOM 915 CA ASN A 79 -4.601 -6.623 10.436 1.00 0.00 C ATOM 916 C ASN A 79 -4.428 -5.365 9.609 1.00 0.00 C ATOM 917 O ASN A 79 -4.691 -4.276 10.096 1.00 0.00 O ATOM 918 CB ASN A 79 -3.228 -7.007 11.049 1.00 0.00 C ATOM 919 CG ASN A 79 -2.984 -6.361 12.392 1.00 0.00 C ATOM 920 OD1 ASN A 79 -2.192 -5.435 12.479 1.00 0.00 O ATOM 921 ND2 ASN A 79 -3.662 -6.845 13.458 1.00 0.00 N ATOM 0 H ASN A 79 -4.508 -8.448 9.370 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.302 -6.463 11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.174 -8.090 11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.434 -6.715 10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.521 -6.435 14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.314 -7.620 13.339 1.00 0.00 H new ATOM 928 N LEU A 80 -3.977 -5.514 8.342 1.00 0.00 N ATOM 929 CA LEU A 80 -3.794 -4.356 7.465 1.00 0.00 C ATOM 930 C LEU A 80 -5.141 -3.832 7.008 1.00 0.00 C ATOM 931 O LEU A 80 -5.246 -2.659 6.681 1.00 0.00 O ATOM 932 CB LEU A 80 -2.909 -4.735 6.247 1.00 0.00 C ATOM 933 CG LEU A 80 -1.388 -4.849 6.576 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.694 -3.465 6.613 1.00 0.00 C ATOM 935 CD2 LEU A 80 -1.043 -5.558 7.909 1.00 0.00 C ATOM 0 H LEU A 80 -3.740 -6.411 7.919 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.287 -3.568 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.255 -5.686 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.046 -3.988 5.465 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.019 -5.467 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.363 -3.594 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.795 -2.981 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.161 -2.844 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.039 -5.582 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.496 -5.014 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.429 -6.577 7.890 1.00 0.00 H new ATOM 947 N LYS A 81 -6.194 -4.681 6.985 1.00 0.00 N ATOM 948 CA LYS A 81 -7.537 -4.187 6.699 1.00 0.00 C ATOM 949 C LYS A 81 -8.069 -3.515 7.951 1.00 0.00 C ATOM 950 O LYS A 81 -8.746 -2.509 7.826 1.00 0.00 O ATOM 951 CB LYS A 81 -8.487 -5.341 6.268 1.00 0.00 C ATOM 952 CG LYS A 81 -9.862 -4.820 5.744 1.00 0.00 C ATOM 953 CD LYS A 81 -10.074 -4.981 4.207 1.00 0.00 C ATOM 954 CE LYS A 81 -8.973 -4.310 3.343 1.00 0.00 C ATOM 955 NZ LYS A 81 -9.457 -4.031 1.968 1.00 0.00 N ATOM 0 H LYS A 81 -6.132 -5.684 7.158 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.491 -3.478 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.005 -5.932 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.653 -6.006 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.659 -5.350 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.959 -3.765 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.114 -6.043 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.041 -4.557 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.656 -3.380 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.098 -4.959 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.697 -3.583 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.737 -4.922 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.276 -3.392 2.011 1.00 0.00 H new ATOM 969 N THR A 82 -7.787 -4.032 9.171 1.00 0.00 N ATOM 970 CA THR A 82 -8.309 -3.407 10.390 1.00 0.00 C ATOM 971 C THR A 82 -7.900 -1.951 10.428 1.00 0.00 C ATOM 972 O THR A 82 -8.750 -1.076 10.473 1.00 0.00 O ATOM 973 CB THR A 82 -7.846 -4.164 11.673 1.00 0.00 C ATOM 974 OG1 THR A 82 -8.667 -5.330 11.861 1.00 0.00 O ATOM 975 CG2 THR A 82 -7.946 -3.301 12.958 1.00 0.00 C ATOM 0 H THR A 82 -7.214 -4.861 9.327 1.00 0.00 H new ATOM 0 HA THR A 82 -9.397 -3.467 10.371 1.00 0.00 H new ATOM 0 HB THR A 82 -6.799 -4.424 11.519 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.440 -6.002 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.610 -3.884 13.815 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.318 -2.417 12.852 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.981 -2.995 13.111 1.00 0.00 H new ATOM 983 N GLU A 83 -6.585 -1.652 10.414 1.00 0.00 N ATOM 984 CA GLU A 83 -6.177 -0.247 10.414 1.00 0.00 C ATOM 985 C GLU A 83 -6.839 0.547 9.301 1.00 0.00 C ATOM 986 O GLU A 83 -7.082 1.728 9.496 1.00 0.00 O ATOM 987 CB GLU A 83 -4.643 -0.112 10.247 1.00 0.00 C ATOM 988 CG GLU A 83 -4.216 -0.648 8.860 1.00 0.00 C ATOM 989 CD GLU A 83 -2.743 -0.511 8.673 1.00 0.00 C ATOM 990 OE1 GLU A 83 -1.992 -1.347 9.243 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.364 0.449 7.950 1.00 0.00 O ATOM 0 H GLU A 83 -5.826 -2.333 10.403 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.493 0.154 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.348 0.932 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.132 -0.667 11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.504 -1.695 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.740 -0.101 8.076 1.00 0.00 H new ATOM 998 N MET A 84 -7.129 -0.053 8.117 1.00 0.00 N ATOM 999 CA MET A 84 -7.767 0.720 7.052 1.00 0.00 C ATOM 1000 C MET A 84 -9.190 0.974 7.494 1.00 0.00 C ATOM 1001 O MET A 84 -9.633 2.108 7.406 1.00 0.00 O ATOM 1002 CB MET A 84 -7.773 0.010 5.666 1.00 0.00 C ATOM 1003 CG MET A 84 -6.365 -0.011 5.018 1.00 0.00 C ATOM 1004 SD MET A 84 -6.289 -1.216 3.649 1.00 0.00 S ATOM 1005 CE MET A 84 -7.700 -0.715 2.612 1.00 0.00 C ATOM 0 H MET A 84 -6.936 -1.029 7.893 1.00 0.00 H new ATOM 0 HA MET A 84 -7.196 1.637 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.133 -1.012 5.784 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.471 0.519 5.001 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.118 0.983 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.619 -0.264 5.771 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.652 -1.236 1.656 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.632 -0.970 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.662 0.361 2.442 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.905 -0.067 7.985 1.00 0.00 N ATOM 1016 CA ASP A 85 -11.252 0.125 8.523 1.00 0.00 C ATOM 1017 C ASP A 85 -11.255 1.365 9.391 1.00 0.00 C ATOM 1018 O ASP A 85 -12.099 2.228 9.203 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.764 -1.105 9.323 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.120 -0.834 9.925 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -14.050 -0.472 9.155 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -13.260 -0.978 11.172 1.00 0.00 O ATOM 0 H ASP A 85 -9.569 -1.029 8.015 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.938 0.245 7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.821 -1.972 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.054 -1.350 10.113 1.00 0.00 H new ATOM 1027 N GLU A 86 -10.286 1.470 10.332 1.00 0.00 N ATOM 1028 CA GLU A 86 -10.184 2.667 11.171 1.00 0.00 C ATOM 1029 C GLU A 86 -10.208 3.926 10.330 1.00 0.00 C ATOM 1030 O GLU A 86 -10.890 4.854 10.731 1.00 0.00 O ATOM 1031 CB GLU A 86 -8.919 2.682 12.090 1.00 0.00 C ATOM 1032 CG GLU A 86 -9.187 2.153 13.534 1.00 0.00 C ATOM 1033 CD GLU A 86 -9.418 3.279 14.520 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -10.019 4.318 14.132 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -8.986 3.134 15.699 1.00 0.00 O ATOM 0 H GLU A 86 -9.584 0.754 10.519 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.057 2.638 11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.139 2.076 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.537 3.701 12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.057 1.497 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.339 1.552 13.863 1.00 0.00 H new ATOM 1042 N TYR A 87 -9.484 4.009 9.189 1.00 0.00 N ATOM 1043 CA TYR A 87 -9.474 5.259 8.418 1.00 0.00 C ATOM 1044 C TYR A 87 -10.865 5.689 8.046 1.00 0.00 C ATOM 1045 O TYR A 87 -11.219 6.833 8.284 1.00 0.00 O ATOM 1046 CB TYR A 87 -8.608 5.255 7.122 1.00 0.00 C ATOM 1047 CG TYR A 87 -9.271 5.166 5.729 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -10.026 6.239 5.242 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -9.090 4.042 4.912 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -10.579 6.194 3.951 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -9.623 4.004 3.616 1.00 0.00 C ATOM 1052 CZ TYR A 87 -10.393 5.076 3.142 1.00 0.00 C ATOM 1053 OH TYR A 87 -10.989 5.031 1.875 1.00 0.00 O ATOM 0 H TYR A 87 -8.922 3.253 8.799 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.006 5.963 9.106 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.009 6.165 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.916 4.417 7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -10.185 7.108 5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -8.533 3.195 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.152 7.032 3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.441 3.149 2.982 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.762 4.185 1.436 1.00 0.00 H new ATOM 1063 N ILE A 88 -11.651 4.771 7.444 1.00 0.00 N ATOM 1064 CA ILE A 88 -12.974 5.156 6.962 1.00 0.00 C ATOM 1065 C ILE A 88 -13.795 5.535 8.173 1.00 0.00 C ATOM 1066 O ILE A 88 -14.488 6.539 8.143 1.00 0.00 O ATOM 1067 CB ILE A 88 -13.691 4.046 6.127 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -12.772 3.467 5.005 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -14.981 4.642 5.492 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -12.308 2.008 5.249 1.00 0.00 C ATOM 0 H ILE A 88 -11.397 3.796 7.289 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.863 5.992 6.271 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.939 3.225 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.305 3.512 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.893 4.104 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.487 3.874 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.645 4.995 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.715 5.476 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.675 1.685 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.744 1.956 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.179 1.356 5.315 1.00 0.00 H new ATOM 1082 N ARG A 89 -13.713 4.741 9.263 1.00 0.00 N ATOM 1083 CA ARG A 89 -14.454 5.087 10.475 1.00 0.00 C ATOM 1084 C ARG A 89 -13.972 6.416 11.038 1.00 0.00 C ATOM 1085 O ARG A 89 -14.765 7.157 11.598 1.00 0.00 O ATOM 1086 CB ARG A 89 -14.303 3.954 11.530 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.768 2.564 10.982 1.00 0.00 C ATOM 1088 CD ARG A 89 -15.911 1.973 11.852 1.00 0.00 C ATOM 1089 NE ARG A 89 -15.451 1.841 13.240 1.00 0.00 N ATOM 1090 CZ ARG A 89 -16.239 1.882 14.294 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -17.549 1.946 14.217 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -15.685 1.858 15.487 1.00 0.00 N ATOM 0 H ARG A 89 -13.159 3.887 9.321 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.509 5.192 10.224 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.261 3.888 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.886 4.206 12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.109 2.671 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.924 1.874 10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.787 2.619 11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.213 1.000 11.463 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.452 1.708 13.399 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.006 1.966 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -18.109 1.975 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.670 1.809 15.577 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.270 1.889 16.322 1.00 0.00 H new ATOM 1106 N ASN A 90 -12.663 6.729 10.887 1.00 0.00 N ATOM 1107 CA ASN A 90 -12.101 8.002 11.350 1.00 0.00 C ATOM 1108 C ASN A 90 -12.358 9.127 10.369 1.00 0.00 C ATOM 1109 O ASN A 90 -12.260 10.275 10.776 1.00 0.00 O ATOM 1110 CB ASN A 90 -10.573 7.843 11.594 1.00 0.00 C ATOM 1111 CG ASN A 90 -9.901 9.139 11.988 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -10.007 9.532 13.140 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -9.202 9.826 11.055 1.00 0.00 N ATOM 0 H ASN A 90 -11.983 6.110 10.446 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.598 8.265 12.284 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.411 7.103 12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.104 7.457 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.743 10.702 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.134 9.468 10.102 1.00 0.00 H new ATOM 1120 N PHE A 91 -12.689 8.826 9.089 1.00 0.00 N ATOM 1121 CA PHE A 91 -12.924 9.874 8.092 1.00 0.00 C ATOM 1122 C PHE A 91 -14.240 9.596 7.390 1.00 0.00 C ATOM 1123 O PHE A 91 -14.340 9.786 6.188 1.00 0.00 O ATOM 1124 CB PHE A 91 -11.694 9.905 7.135 1.00 0.00 C ATOM 1125 CG PHE A 91 -11.137 11.323 6.937 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -10.367 11.897 7.956 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -11.369 12.047 5.761 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -9.753 13.137 7.769 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -10.768 13.298 5.577 1.00 0.00 C ATOM 1130 CZ PHE A 91 -9.946 13.835 6.574 1.00 0.00 C ATOM 0 H PHE A 91 -12.796 7.875 8.736 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.016 10.864 8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.910 9.263 7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -11.980 9.492 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.247 11.376 8.894 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -12.012 11.640 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.131 13.556 8.546 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -10.939 13.849 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.461 14.788 6.420 1.00 0.00 H new ATOM 1140 N GLY A 92 -15.270 9.132 8.140 1.00 0.00 N ATOM 1141 CA GLY A 92 -16.525 8.751 7.497 1.00 0.00 C ATOM 1142 C GLY A 92 -17.164 9.939 6.843 1.00 0.00 C ATOM 1143 O GLY A 92 -17.522 10.903 7.518 1.00 0.00 O ATOM 0 H GLY A 92 -15.249 9.020 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.338 7.976 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -17.204 8.327 8.236 1.00 0.00 H new TER 1147 GLY A 92