USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN :FLIP amide:sc= -2.08! C(o=-9.1!,f=-7.5!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -5.42! C(o=-7.5!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= -3.17! (180deg=-6.3!) USER MOD Single : A 3 LYS NZ :NH3+ -107:sc= 0.0501 (180deg=0) USER MOD Single : A 5 TYR OH : rot -30:sc= -1.44 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.307 USER MOD Single : A 9 SER OG : rot 101:sc= 0.357 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.571 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.339 K(o=-0.34,f=-0.89!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 37 MET CE :methyl -124:sc= -0.0989 (180deg=-2.24!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.299) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -176:sc= -0.528 (180deg=-0.541) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.159 (180deg=-0.674) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.968 1.714 -5.186 1.00 0.00 N ATOM 2 CA MET A 1 -10.848 0.733 -5.186 1.00 0.00 C ATOM 3 C MET A 1 -9.669 1.230 -4.357 1.00 0.00 C ATOM 4 O MET A 1 -9.186 2.344 -4.554 1.00 0.00 O ATOM 5 CB MET A 1 -10.433 0.508 -6.640 1.00 0.00 C ATOM 6 CG MET A 1 -9.180 -0.322 -6.835 1.00 0.00 C ATOM 7 SD MET A 1 -8.433 -0.060 -8.454 1.00 0.00 S ATOM 8 CE MET A 1 -9.636 -0.853 -9.517 1.00 0.00 C ATOM 0 H1 MET A 1 -12.757 1.340 -4.620 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.643 2.612 -4.775 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.288 1.875 -6.162 1.00 0.00 H new ATOM 0 HA MET A 1 -11.175 -0.202 -4.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.256 0.022 -7.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.283 1.479 -7.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.457 -0.072 -6.059 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.424 -1.378 -6.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.313 -0.774 -10.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.726 -1.904 -9.244 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.603 -0.364 -9.400 1.00 0.00 H new ATOM 20 N PHE A 2 -9.207 0.398 -3.428 1.00 0.00 N ATOM 21 CA PHE A 2 -8.087 0.771 -2.578 1.00 0.00 C ATOM 22 C PHE A 2 -6.844 1.011 -3.417 1.00 0.00 C ATOM 23 O PHE A 2 -6.821 0.708 -4.610 1.00 0.00 O ATOM 24 CB PHE A 2 -7.812 -0.310 -1.529 1.00 0.00 C ATOM 25 CG PHE A 2 -8.812 -0.342 -0.410 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.630 0.435 0.723 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.931 -1.154 -0.487 1.00 0.00 C ATOM 28 CE1 PHE A 2 -9.546 0.403 1.756 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.849 -1.192 0.543 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.657 -0.413 1.667 1.00 0.00 C ATOM 0 H PHE A 2 -9.589 -0.531 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.349 1.694 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.800 -1.283 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.818 -0.151 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.762 1.073 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.087 -1.765 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.394 1.015 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.717 -1.831 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.374 -0.442 2.474 1.00 0.00 H new ATOM 40 N LYS A 3 -5.817 1.561 -2.792 1.00 0.00 N ATOM 41 CA LYS A 3 -4.576 1.850 -3.488 1.00 0.00 C ATOM 42 C LYS A 3 -3.382 1.612 -2.580 1.00 0.00 C ATOM 43 O LYS A 3 -3.221 2.286 -1.568 1.00 0.00 O ATOM 44 CB LYS A 3 -4.578 3.299 -3.970 1.00 0.00 C ATOM 45 CG LYS A 3 -5.198 3.487 -5.342 1.00 0.00 C ATOM 46 CD LYS A 3 -6.687 3.776 -5.238 1.00 0.00 C ATOM 47 CE LYS A 3 -7.107 4.900 -6.172 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.483 4.695 -6.702 1.00 0.00 N ATOM 0 H LYS A 3 -5.818 1.816 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.497 1.182 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.120 3.911 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.552 3.666 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.701 4.308 -5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.040 2.590 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.251 2.874 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.935 4.044 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.060 5.850 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.404 4.964 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.432 4.417 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.956 3.945 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.024 5.579 -6.616 1.00 0.00 H new ATOM 62 N VAL A 4 -2.542 0.653 -2.943 1.00 0.00 N ATOM 63 CA VAL A 4 -1.361 0.349 -2.147 1.00 0.00 C ATOM 64 C VAL A 4 -0.092 0.761 -2.875 1.00 0.00 C ATOM 65 O VAL A 4 0.035 0.580 -4.083 1.00 0.00 O ATOM 66 CB VAL A 4 -1.265 -1.151 -1.793 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.037 -1.461 -1.065 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.441 -1.574 -0.939 1.00 0.00 C ATOM 0 H VAL A 4 -2.654 0.076 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.461 0.919 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.283 -1.712 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.077 -2.524 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.882 -1.199 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.085 -0.882 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.355 -2.634 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.448 -0.994 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.368 -1.399 -1.485 1.00 0.00 H new ATOM 78 N TYR A 5 0.855 1.286 -2.116 1.00 0.00 N ATOM 79 CA TYR A 5 2.135 1.690 -2.664 1.00 0.00 C ATOM 80 C TYR A 5 3.241 0.962 -1.920 1.00 0.00 C ATOM 81 O TYR A 5 3.611 1.351 -0.813 1.00 0.00 O ATOM 82 CB TYR A 5 2.331 3.202 -2.542 1.00 0.00 C ATOM 83 CG TYR A 5 1.362 4.025 -3.361 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.003 3.994 -3.103 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.817 4.854 -4.378 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.885 4.766 -3.835 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.941 5.627 -5.116 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.408 5.581 -4.840 1.00 0.00 C ATOM 89 OH TYR A 5 -1.283 6.351 -5.571 1.00 0.00 O ATOM 0 H TYR A 5 0.759 1.442 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 5 2.165 1.432 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.234 3.485 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.348 3.450 -2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.381 3.356 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.874 4.895 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.943 4.731 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.312 6.264 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.152 5.901 -5.621 1.00 0.00 H new ATOM 99 N GLY A 6 3.748 -0.110 -2.514 1.00 0.00 N ATOM 100 CA GLY A 6 4.787 -0.879 -1.872 1.00 0.00 C ATOM 101 C GLY A 6 5.516 -1.786 -2.836 1.00 0.00 C ATOM 102 O GLY A 6 5.734 -1.432 -3.994 1.00 0.00 O ATOM 0 H GLY A 6 3.457 -0.458 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.501 -0.200 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.350 -1.479 -1.074 1.00 0.00 H new ATOM 106 N TYR A 7 5.902 -2.954 -2.349 1.00 0.00 N ATOM 107 CA TYR A 7 6.628 -3.920 -3.148 1.00 0.00 C ATOM 108 C TYR A 7 5.798 -5.176 -3.394 1.00 0.00 C ATOM 109 O TYR A 7 4.943 -5.534 -2.584 1.00 0.00 O ATOM 110 CB TYR A 7 7.924 -4.256 -2.430 1.00 0.00 C ATOM 111 CG TYR A 7 8.645 -3.013 -1.984 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.370 -2.258 -2.891 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.566 -2.571 -0.671 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.999 -1.096 -2.505 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.199 -1.410 -0.273 1.00 0.00 C ATOM 116 CZ TYR A 7 9.914 -0.674 -1.194 1.00 0.00 C ATOM 117 OH TYR A 7 10.539 0.489 -0.805 1.00 0.00 O ATOM 0 H TYR A 7 5.720 -3.256 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 7 6.846 -3.492 -4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.710 -4.884 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.569 -4.834 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.443 -2.586 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.001 -3.143 0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.557 -0.517 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.134 -1.080 0.753 1.00 0.00 H new ATOM 0 HH TYR A 7 10.379 0.643 0.150 1.00 0.00 H new ATOM 127 N ASP A 8 6.047 -5.835 -4.521 1.00 0.00 N ATOM 128 CA ASP A 8 5.312 -7.045 -4.879 1.00 0.00 C ATOM 129 C ASP A 8 5.877 -8.284 -4.185 1.00 0.00 C ATOM 130 O ASP A 8 5.380 -9.392 -4.390 1.00 0.00 O ATOM 131 CB ASP A 8 5.339 -7.248 -6.394 1.00 0.00 C ATOM 132 CG ASP A 8 4.175 -8.087 -6.882 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.308 -9.329 -6.907 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.129 -7.503 -7.235 1.00 0.00 O ATOM 0 H ASP A 8 6.752 -5.553 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 8 4.284 -6.912 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.317 -6.277 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.275 -7.729 -6.677 1.00 0.00 H new ATOM 139 N SER A 9 6.919 -8.097 -3.370 1.00 0.00 N ATOM 140 CA SER A 9 7.554 -9.205 -2.646 1.00 0.00 C ATOM 141 C SER A 9 8.583 -9.932 -3.513 1.00 0.00 C ATOM 142 O SER A 9 9.386 -10.714 -3.006 1.00 0.00 O ATOM 143 CB SER A 9 6.506 -10.202 -2.142 1.00 0.00 C ATOM 144 OG SER A 9 6.845 -10.687 -0.854 1.00 0.00 O ATOM 0 H SER A 9 7.343 -7.186 -3.194 1.00 0.00 H new ATOM 0 HA SER A 9 8.073 -8.771 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.528 -9.721 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.427 -11.036 -2.839 1.00 0.00 H new ATOM 0 HG SER A 9 6.316 -10.215 -0.177 1.00 0.00 H new ATOM 150 N ASN A 10 8.559 -9.675 -4.819 1.00 0.00 N ATOM 151 CA ASN A 10 9.494 -10.314 -5.736 1.00 0.00 C ATOM 152 C ASN A 10 10.812 -9.546 -5.800 1.00 0.00 C ATOM 153 O ASN A 10 11.887 -10.144 -5.871 1.00 0.00 O ATOM 154 CB ASN A 10 8.877 -10.412 -7.132 1.00 0.00 C ATOM 155 CG ASN A 10 8.208 -11.750 -7.376 1.00 0.00 C ATOM 156 OD1 ASN A 10 7.066 -11.968 -6.969 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.914 -12.656 -8.043 1.00 0.00 N ATOM 0 H ASN A 10 7.904 -9.031 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 10 9.702 -11.317 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.145 -9.614 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.653 -10.255 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.513 -13.574 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.857 -12.434 -8.362 1.00 0.00 H new ATOM 164 N ILE A 11 10.720 -8.220 -5.781 1.00 0.00 N ATOM 165 CA ILE A 11 11.905 -7.369 -5.844 1.00 0.00 C ATOM 166 C ILE A 11 12.402 -7.010 -4.451 1.00 0.00 C ATOM 167 O ILE A 11 13.601 -6.821 -4.239 1.00 0.00 O ATOM 168 CB ILE A 11 11.624 -6.074 -6.630 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.834 -6.398 -7.904 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.931 -5.360 -6.954 1.00 0.00 C ATOM 171 CD1 ILE A 11 10.802 -5.280 -8.921 1.00 0.00 C ATOM 0 H ILE A 11 9.838 -7.711 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 11 12.676 -7.939 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 11 11.021 -5.404 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.266 -7.284 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.810 -6.651 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.719 -4.447 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.448 -5.109 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.562 -6.013 -7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.223 -5.594 -9.789 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.341 -4.398 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.819 -5.041 -9.231 1.00 0.00 H new ATOM 183 N HIS A 12 11.477 -6.916 -3.504 1.00 0.00 N ATOM 184 CA HIS A 12 11.825 -6.581 -2.133 1.00 0.00 C ATOM 185 C HIS A 12 10.976 -7.368 -1.148 1.00 0.00 C ATOM 186 O HIS A 12 9.789 -7.592 -1.371 1.00 0.00 O ATOM 187 CB HIS A 12 11.658 -5.085 -1.889 1.00 0.00 C ATOM 188 CG HIS A 12 12.395 -4.582 -0.687 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.641 -5.028 -0.303 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.037 -3.639 0.221 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.993 -4.357 0.803 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.054 -3.502 1.162 1.00 0.00 N ATOM 0 H HIS A 12 10.481 -7.067 -3.662 1.00 0.00 H new ATOM 0 HA HIS A 12 12.870 -6.849 -1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.004 -4.542 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.597 -4.862 -1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.111 -3.083 0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.924 -4.498 1.332 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.070 -2.871 1.963 1.00 0.00 H new ATOM 200 N LYS A 13 11.601 -7.779 -0.056 1.00 0.00 N ATOM 201 CA LYS A 13 10.918 -8.549 0.983 1.00 0.00 C ATOM 202 C LYS A 13 9.637 -7.854 1.437 1.00 0.00 C ATOM 203 O LYS A 13 9.572 -6.626 1.494 1.00 0.00 O ATOM 204 CB LYS A 13 11.847 -8.763 2.179 1.00 0.00 C ATOM 205 CG LYS A 13 11.599 -10.067 2.921 1.00 0.00 C ATOM 206 CD LYS A 13 12.656 -10.308 3.991 1.00 0.00 C ATOM 207 CE LYS A 13 12.049 -10.333 5.386 1.00 0.00 C ATOM 208 NZ LYS A 13 12.545 -11.486 6.188 1.00 0.00 N ATOM 0 H LYS A 13 12.585 -7.593 0.138 1.00 0.00 H new ATOM 0 HA LYS A 13 10.648 -9.516 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.880 -8.743 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.727 -7.932 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.612 -10.043 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.600 -10.896 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.161 -11.254 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.413 -9.526 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.287 -9.403 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.963 -10.385 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.108 -11.467 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.296 -12.375 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.579 -11.423 6.284 1.00 0.00 H new ATOM 222 N CYS A 14 8.622 -8.652 1.763 1.00 0.00 N ATOM 223 CA CYS A 14 7.340 -8.119 2.218 1.00 0.00 C ATOM 224 C CYS A 14 6.361 -9.243 2.542 1.00 0.00 C ATOM 225 O CYS A 14 5.589 -9.672 1.685 1.00 0.00 O ATOM 226 CB CYS A 14 6.726 -7.199 1.161 1.00 0.00 C ATOM 227 SG CYS A 14 5.394 -6.129 1.800 1.00 0.00 S ATOM 0 H CYS A 14 8.663 -9.670 1.720 1.00 0.00 H new ATOM 0 HA CYS A 14 7.530 -7.545 3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.511 -6.572 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.331 -7.808 0.348 1.00 0.00 H new ATOM 232 N VAL A 15 6.389 -9.711 3.787 1.00 0.00 N ATOM 233 CA VAL A 15 5.495 -10.779 4.218 1.00 0.00 C ATOM 234 C VAL A 15 4.099 -10.236 4.509 1.00 0.00 C ATOM 235 O VAL A 15 3.108 -10.956 4.396 1.00 0.00 O ATOM 236 CB VAL A 15 6.028 -11.493 5.474 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.207 -12.382 5.117 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.414 -10.485 6.544 1.00 0.00 C ATOM 0 H VAL A 15 7.019 -9.368 4.512 1.00 0.00 H new ATOM 0 HA VAL A 15 5.444 -11.498 3.400 1.00 0.00 H new ATOM 0 HB VAL A 15 5.234 -12.122 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.573 -12.880 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.891 -13.131 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.004 -11.774 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.788 -11.012 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.191 -9.825 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.540 -9.894 6.820 1.00 0.00 H new ATOM 248 N TYR A 16 4.031 -8.959 4.879 1.00 0.00 N ATOM 249 CA TYR A 16 2.756 -8.314 5.179 1.00 0.00 C ATOM 250 C TYR A 16 1.987 -8.012 3.897 1.00 0.00 C ATOM 251 O TYR A 16 0.767 -7.846 3.918 1.00 0.00 O ATOM 252 CB TYR A 16 2.986 -7.021 5.967 1.00 0.00 C ATOM 253 CG TYR A 16 2.922 -7.199 7.470 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.277 -8.403 8.068 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.505 -6.158 8.292 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.217 -8.565 9.439 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.444 -6.312 9.664 1.00 0.00 C ATOM 258 CZ TYR A 16 2.801 -7.517 10.232 1.00 0.00 C ATOM 259 OH TYR A 16 2.743 -7.674 11.598 1.00 0.00 O ATOM 0 H TYR A 16 4.844 -8.351 4.978 1.00 0.00 H new ATOM 0 HA TYR A 16 2.164 -8.999 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.961 -6.613 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.240 -6.286 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.605 -9.226 7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.224 -5.213 7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.495 -9.508 9.887 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.118 -5.493 10.288 1.00 0.00 H new ATOM 0 HH TYR A 16 2.431 -6.841 12.010 1.00 0.00 H new ATOM 269 N CYS A 17 2.707 -7.944 2.780 1.00 0.00 N ATOM 270 CA CYS A 17 2.090 -7.672 1.489 1.00 0.00 C ATOM 271 C CYS A 17 1.060 -8.743 1.161 1.00 0.00 C ATOM 272 O CYS A 17 -0.120 -8.454 0.965 1.00 0.00 O ATOM 273 CB CYS A 17 3.154 -7.623 0.390 1.00 0.00 C ATOM 274 SG CYS A 17 4.052 -6.041 0.279 1.00 0.00 S ATOM 0 H CYS A 17 3.718 -8.074 2.745 1.00 0.00 H new ATOM 0 HA CYS A 17 1.592 -6.704 1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.873 -8.424 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.677 -7.824 -0.569 1.00 0.00 H new ATOM 279 N ASP A 18 1.522 -9.987 1.115 1.00 0.00 N ATOM 280 CA ASP A 18 0.655 -11.123 0.816 1.00 0.00 C ATOM 281 C ASP A 18 -0.552 -11.162 1.751 1.00 0.00 C ATOM 282 O ASP A 18 -1.585 -11.743 1.420 1.00 0.00 O ATOM 283 CB ASP A 18 1.444 -12.429 0.933 1.00 0.00 C ATOM 284 CG ASP A 18 1.019 -13.455 -0.098 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.461 -13.346 -1.261 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.243 -14.368 0.256 1.00 0.00 O ATOM 0 H ASP A 18 2.497 -10.236 1.282 1.00 0.00 H new ATOM 0 HA ASP A 18 0.290 -11.008 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.507 -12.220 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.309 -12.844 1.932 1.00 0.00 H new ATOM 291 N ASN A 19 -0.414 -10.545 2.921 1.00 0.00 N ATOM 292 CA ASN A 19 -1.494 -10.516 3.902 1.00 0.00 C ATOM 293 C ASN A 19 -2.563 -9.499 3.512 1.00 0.00 C ATOM 294 O ASN A 19 -3.745 -9.833 3.421 1.00 0.00 O ATOM 295 CB ASN A 19 -0.941 -10.188 5.289 1.00 0.00 C ATOM 296 CG ASN A 19 -0.478 -11.425 6.034 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.123 -11.870 6.984 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.645 -11.988 5.604 1.00 0.00 N ATOM 0 H ASN A 19 0.434 -10.059 3.213 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.954 -11.504 3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.107 -9.494 5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.709 -9.682 5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.006 -12.823 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.147 -11.585 4.813 1.00 0.00 H new ATOM 305 N ALA A 20 -2.144 -8.258 3.284 1.00 0.00 N ATOM 306 CA ALA A 20 -3.069 -7.195 2.906 1.00 0.00 C ATOM 307 C ALA A 20 -3.851 -7.569 1.653 1.00 0.00 C ATOM 308 O ALA A 20 -5.076 -7.450 1.613 1.00 0.00 O ATOM 309 CB ALA A 20 -2.313 -5.893 2.688 1.00 0.00 C ATOM 0 H ALA A 20 -1.170 -7.964 3.354 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.781 -7.059 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.015 -5.108 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.802 -5.610 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.580 -6.027 1.893 1.00 0.00 H new ATOM 315 N LYS A 21 -3.135 -8.029 0.632 1.00 0.00 N ATOM 316 CA LYS A 21 -3.759 -8.424 -0.626 1.00 0.00 C ATOM 317 C LYS A 21 -4.792 -9.520 -0.394 1.00 0.00 C ATOM 318 O LYS A 21 -5.951 -9.391 -0.788 1.00 0.00 O ATOM 319 CB LYS A 21 -2.695 -8.910 -1.613 1.00 0.00 C ATOM 320 CG LYS A 21 -3.259 -9.326 -2.963 1.00 0.00 C ATOM 321 CD LYS A 21 -2.846 -8.360 -4.063 1.00 0.00 C ATOM 322 CE LYS A 21 -2.772 -9.050 -5.415 1.00 0.00 C ATOM 323 NZ LYS A 21 -3.286 -8.183 -6.510 1.00 0.00 N ATOM 0 H LYS A 21 -2.121 -8.138 0.651 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.264 -7.554 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.962 -8.117 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.164 -9.755 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.912 -10.329 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.347 -9.370 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.559 -7.537 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.876 -7.926 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.739 -9.326 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.349 -9.974 -5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.218 -8.690 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.280 -7.940 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.720 -7.312 -6.558 1.00 0.00 H new ATOM 337 N ARG A 22 -4.362 -10.598 0.253 1.00 0.00 N ATOM 338 CA ARG A 22 -5.249 -11.719 0.544 1.00 0.00 C ATOM 339 C ARG A 22 -6.409 -11.269 1.424 1.00 0.00 C ATOM 340 O ARG A 22 -7.540 -11.726 1.266 1.00 0.00 O ATOM 341 CB ARG A 22 -4.475 -12.845 1.233 1.00 0.00 C ATOM 342 CG ARG A 22 -3.781 -13.787 0.263 1.00 0.00 C ATOM 343 CD ARG A 22 -4.768 -14.742 -0.389 1.00 0.00 C ATOM 344 NE ARG A 22 -5.210 -14.263 -1.697 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.113 -14.887 -2.449 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.675 -16.014 -2.026 1.00 0.00 N ATOM 347 NH2 ARG A 22 -6.459 -14.385 -3.626 1.00 0.00 N ATOM 0 H ARG A 22 -3.405 -10.719 0.586 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.650 -12.092 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.730 -12.409 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.162 -13.419 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.271 -13.208 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.017 -14.357 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.305 -15.723 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.633 -14.870 0.262 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.802 -13.399 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.415 -16.405 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.367 -16.488 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.033 -13.519 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.151 -14.865 -4.201 1.00 0.00 H new ATOM 361 N LEU A 23 -6.117 -10.357 2.347 1.00 0.00 N ATOM 362 CA LEU A 23 -7.131 -9.827 3.250 1.00 0.00 C ATOM 363 C LEU A 23 -8.259 -9.172 2.461 1.00 0.00 C ATOM 364 O LEU A 23 -9.433 -9.494 2.648 1.00 0.00 O ATOM 365 CB LEU A 23 -6.496 -8.813 4.210 1.00 0.00 C ATOM 366 CG LEU A 23 -7.477 -7.952 5.011 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.812 -7.424 6.271 1.00 0.00 C ATOM 368 CD2 LEU A 23 -7.995 -6.801 4.162 1.00 0.00 C ATOM 0 H LEU A 23 -5.184 -9.970 2.488 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.550 -10.650 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.859 -9.353 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.848 -8.152 3.635 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.324 -8.574 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.522 -6.814 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.488 -8.261 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.948 -6.818 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.691 -6.201 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.159 -6.179 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.508 -7.197 3.285 1.00 0.00 H new ATOM 380 N LEU A 24 -7.891 -8.252 1.575 1.00 0.00 N ATOM 381 CA LEU A 24 -8.867 -7.548 0.752 1.00 0.00 C ATOM 382 C LEU A 24 -9.693 -8.532 -0.069 1.00 0.00 C ATOM 383 O LEU A 24 -10.919 -8.437 -0.119 1.00 0.00 O ATOM 384 CB LEU A 24 -8.161 -6.557 -0.172 1.00 0.00 C ATOM 385 CG LEU A 24 -7.532 -5.356 0.536 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.218 -4.975 -0.122 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.490 -4.177 0.530 1.00 0.00 C ATOM 0 H LEU A 24 -6.923 -7.977 1.409 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.540 -7.001 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.382 -7.086 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.879 -6.193 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.329 -5.634 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.786 -4.119 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.527 -5.817 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.395 -4.716 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.028 -3.330 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.721 -3.901 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.409 -4.452 1.047 1.00 0.00 H new ATOM 399 N THR A 25 -9.013 -9.481 -0.705 1.00 0.00 N ATOM 400 CA THR A 25 -9.690 -10.487 -1.514 1.00 0.00 C ATOM 401 C THR A 25 -10.704 -11.249 -0.668 1.00 0.00 C ATOM 402 O THR A 25 -11.782 -11.609 -1.139 1.00 0.00 O ATOM 403 CB THR A 25 -8.674 -11.460 -2.116 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.635 -10.756 -2.773 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.283 -12.419 -3.116 1.00 0.00 C ATOM 0 H THR A 25 -7.998 -9.574 -0.676 1.00 0.00 H new ATOM 0 HA THR A 25 -10.215 -9.982 -2.325 1.00 0.00 H new ATOM 0 HB THR A 25 -8.290 -12.035 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.005 -10.408 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.508 -13.080 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.055 -13.013 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.724 -11.856 -3.938 1.00 0.00 H new ATOM 413 N VAL A 26 -10.346 -11.478 0.593 1.00 0.00 N ATOM 414 CA VAL A 26 -11.215 -12.185 1.525 1.00 0.00 C ATOM 415 C VAL A 26 -12.292 -11.253 2.074 1.00 0.00 C ATOM 416 O VAL A 26 -13.401 -11.683 2.390 1.00 0.00 O ATOM 417 CB VAL A 26 -10.408 -12.773 2.700 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.312 -13.555 3.641 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.278 -13.651 2.183 1.00 0.00 C ATOM 0 H VAL A 26 -9.455 -11.182 0.993 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.687 -12.999 0.975 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.972 -11.947 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.720 -13.960 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.081 -12.894 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.784 -14.373 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.719 -14.058 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.693 -14.469 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.612 -13.056 1.558 1.00 0.00 H new ATOM 429 N LYS A 27 -11.954 -9.971 2.182 1.00 0.00 N ATOM 430 CA LYS A 27 -12.886 -8.970 2.687 1.00 0.00 C ATOM 431 C LYS A 27 -13.905 -8.576 1.617 1.00 0.00 C ATOM 432 O LYS A 27 -14.892 -7.901 1.909 1.00 0.00 O ATOM 433 CB LYS A 27 -12.122 -7.732 3.166 1.00 0.00 C ATOM 434 CG LYS A 27 -12.549 -7.242 4.542 1.00 0.00 C ATOM 435 CD LYS A 27 -13.693 -6.245 4.447 1.00 0.00 C ATOM 436 CE LYS A 27 -14.680 -6.418 5.590 1.00 0.00 C ATOM 437 NZ LYS A 27 -16.082 -6.173 5.154 1.00 0.00 N ATOM 0 H LYS A 27 -11.039 -9.601 1.925 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.427 -9.405 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.056 -7.959 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.263 -6.928 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.855 -8.091 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.700 -6.777 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.295 -5.230 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.210 -6.373 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.596 -7.427 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.425 -5.731 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.724 -6.301 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.169 -5.201 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.334 -6.845 4.402 1.00 0.00 H new ATOM 451 N LYS A 28 -13.661 -9.001 0.377 1.00 0.00 N ATOM 452 CA LYS A 28 -14.559 -8.690 -0.733 1.00 0.00 C ATOM 453 C LYS A 28 -14.487 -7.210 -1.098 1.00 0.00 C ATOM 454 O LYS A 28 -15.504 -6.518 -1.143 1.00 0.00 O ATOM 455 CB LYS A 28 -15.999 -9.074 -0.381 1.00 0.00 C ATOM 456 CG LYS A 28 -16.121 -10.433 0.289 1.00 0.00 C ATOM 457 CD LYS A 28 -15.678 -11.553 -0.640 1.00 0.00 C ATOM 458 CE LYS A 28 -16.576 -11.651 -1.862 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.551 -13.014 -2.461 1.00 0.00 N ATOM 0 H LYS A 28 -12.849 -9.561 0.117 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.238 -9.273 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.418 -8.314 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.599 -9.072 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.515 -10.449 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.154 -10.598 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.649 -11.379 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.690 -12.500 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.598 -11.396 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.257 -10.921 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.176 -13.040 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.580 -13.248 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.879 -13.708 -1.759 1.00 0.00 H new ATOM 473 N GLN A 29 -13.276 -6.730 -1.360 1.00 0.00 N ATOM 474 CA GLN A 29 -13.073 -5.333 -1.720 1.00 0.00 C ATOM 475 C GLN A 29 -12.135 -5.205 -2.918 1.00 0.00 C ATOM 476 O GLN A 29 -11.070 -5.821 -2.949 1.00 0.00 O ATOM 477 CB GLN A 29 -12.497 -4.559 -0.531 1.00 0.00 C ATOM 478 CG GLN A 29 -13.558 -3.960 0.378 1.00 0.00 C ATOM 479 CD GLN A 29 -14.238 -2.751 -0.235 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.579 -1.833 -0.723 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.566 -2.742 -0.208 1.00 0.00 N ATOM 0 H GLN A 29 -12.422 -7.287 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.041 -4.913 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.864 -5.227 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.857 -3.759 -0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.308 -4.718 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.100 -3.673 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.073 -3.524 0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.079 -1.953 -0.602 1.00 0.00 H new ATOM 490 N PRO A 30 -12.507 -4.387 -3.920 1.00 0.00 N ATOM 491 CA PRO A 30 -11.679 -4.173 -5.109 1.00 0.00 C ATOM 492 C PRO A 30 -10.540 -3.209 -4.817 1.00 0.00 C ATOM 493 O PRO A 30 -10.738 -2.197 -4.148 1.00 0.00 O ATOM 494 CB PRO A 30 -12.659 -3.545 -6.093 1.00 0.00 C ATOM 495 CG PRO A 30 -13.578 -2.763 -5.224 1.00 0.00 C ATOM 496 CD PRO A 30 -13.751 -3.588 -3.972 1.00 0.00 C ATOM 0 HA PRO A 30 -11.212 -5.088 -5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.149 -2.906 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.195 -4.303 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.160 -1.783 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.535 -2.594 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.864 -2.960 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.635 -4.223 -4.027 1.00 0.00 H new ATOM 504 N PHE A 31 -9.347 -3.517 -5.307 1.00 0.00 N ATOM 505 CA PHE A 31 -8.206 -2.651 -5.065 1.00 0.00 C ATOM 506 C PHE A 31 -7.117 -2.811 -6.119 1.00 0.00 C ATOM 507 O PHE A 31 -7.154 -3.729 -6.938 1.00 0.00 O ATOM 508 CB PHE A 31 -7.632 -2.918 -3.692 1.00 0.00 C ATOM 509 CG PHE A 31 -7.000 -4.264 -3.592 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.790 -5.393 -3.549 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.628 -4.401 -3.565 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.224 -6.645 -3.479 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.049 -5.650 -3.493 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.848 -6.778 -3.451 1.00 0.00 C ATOM 0 H PHE A 31 -9.147 -4.347 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.567 -1.624 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.892 -2.154 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.424 -2.835 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.865 -5.294 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.002 -3.522 -3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.853 -7.522 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.974 -5.747 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.399 -7.759 -3.397 1.00 0.00 H new ATOM 524 N GLU A 32 -6.138 -1.910 -6.077 1.00 0.00 N ATOM 525 CA GLU A 32 -5.020 -1.945 -7.015 1.00 0.00 C ATOM 526 C GLU A 32 -3.698 -1.686 -6.300 1.00 0.00 C ATOM 527 O GLU A 32 -3.576 -0.742 -5.518 1.00 0.00 O ATOM 528 CB GLU A 32 -5.220 -0.917 -8.130 1.00 0.00 C ATOM 529 CG GLU A 32 -5.780 -1.514 -9.411 1.00 0.00 C ATOM 530 CD GLU A 32 -5.975 -0.478 -10.501 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.185 0.706 -10.165 1.00 0.00 O ATOM 532 OE2 GLU A 32 -5.919 -0.852 -11.692 1.00 0.00 O ATOM 0 H GLU A 32 -6.097 -1.146 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.986 -2.942 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.894 -0.136 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.265 -0.439 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.106 -2.291 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.735 -1.994 -9.197 1.00 0.00 H new ATOM 539 N PHE A 33 -2.714 -2.535 -6.572 1.00 0.00 N ATOM 540 CA PHE A 33 -1.402 -2.418 -5.963 1.00 0.00 C ATOM 541 C PHE A 33 -0.442 -1.657 -6.875 1.00 0.00 C ATOM 542 O PHE A 33 -0.310 -1.973 -8.057 1.00 0.00 O ATOM 543 CB PHE A 33 -0.860 -3.821 -5.676 1.00 0.00 C ATOM 544 CG PHE A 33 0.304 -3.862 -4.729 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.671 -2.744 -4.001 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.029 -5.028 -4.570 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.743 -2.790 -3.130 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.102 -5.082 -3.701 1.00 0.00 C ATOM 549 CZ PHE A 33 2.459 -3.959 -2.980 1.00 0.00 C ATOM 0 H PHE A 33 -2.806 -3.319 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.490 -1.858 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.666 -4.430 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.561 -4.280 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.114 -1.826 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.753 -5.908 -5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.020 -1.911 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.660 -6.000 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.297 -3.997 -2.300 1.00 0.00 H new ATOM 559 N ILE A 34 0.229 -0.656 -6.313 1.00 0.00 N ATOM 560 CA ILE A 34 1.182 0.154 -7.058 1.00 0.00 C ATOM 561 C ILE A 34 2.590 -0.073 -6.539 1.00 0.00 C ATOM 562 O ILE A 34 2.933 0.319 -5.424 1.00 0.00 O ATOM 563 CB ILE A 34 0.862 1.652 -6.974 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.645 1.885 -7.069 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.592 2.409 -8.074 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.067 3.286 -6.689 1.00 0.00 C ATOM 0 H ILE A 34 0.127 -0.386 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 34 1.108 -0.156 -8.100 1.00 0.00 H new ATOM 0 HB ILE A 34 1.204 2.027 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.972 1.680 -8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.156 1.173 -6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.356 3.471 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.667 2.268 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.276 2.031 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.149 3.377 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.771 3.488 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.585 4.004 -7.353 1.00 0.00 H new ATOM 578 N ASN A 35 3.389 -0.718 -7.357 1.00 0.00 N ATOM 579 CA ASN A 35 4.770 -1.024 -7.009 1.00 0.00 C ATOM 580 C ASN A 35 5.658 0.204 -7.158 1.00 0.00 C ATOM 581 O ASN A 35 5.872 0.704 -8.262 1.00 0.00 O ATOM 582 CB ASN A 35 5.296 -2.165 -7.880 1.00 0.00 C ATOM 583 CG ASN A 35 4.451 -3.418 -7.756 1.00 0.00 C ATOM 584 OD1 ASN A 35 3.732 -3.601 -6.774 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.535 -4.290 -8.754 1.00 0.00 N ATOM 0 H ASN A 35 3.108 -1.047 -8.281 1.00 0.00 H new ATOM 0 HA ASN A 35 4.794 -1.335 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.317 -1.845 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.323 -2.392 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.990 -5.152 -8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.144 -4.098 -9.549 1.00 0.00 H new ATOM 592 N ILE A 36 6.173 0.682 -6.031 1.00 0.00 N ATOM 593 CA ILE A 36 7.045 1.849 -6.017 1.00 0.00 C ATOM 594 C ILE A 36 8.413 1.516 -6.602 1.00 0.00 C ATOM 595 O ILE A 36 9.089 2.380 -7.159 1.00 0.00 O ATOM 596 CB ILE A 36 7.230 2.390 -4.588 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.628 1.255 -3.643 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.955 3.067 -4.105 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.423 1.718 -2.442 1.00 0.00 C ATOM 0 H ILE A 36 6.000 0.276 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 36 6.566 2.613 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 36 8.028 3.132 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.727 0.748 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.215 0.522 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.104 3.444 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.710 3.896 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.137 2.346 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.670 0.860 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.342 2.199 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.831 2.429 -1.866 1.00 0.00 H new ATOM 611 N MET A 37 8.813 0.255 -6.474 1.00 0.00 N ATOM 612 CA MET A 37 10.098 -0.190 -6.994 1.00 0.00 C ATOM 613 C MET A 37 9.915 -1.317 -8.003 1.00 0.00 C ATOM 614 O MET A 37 9.884 -2.489 -7.634 1.00 0.00 O ATOM 615 CB MET A 37 11.009 -0.660 -5.859 1.00 0.00 C ATOM 616 CG MET A 37 12.422 -0.985 -6.316 1.00 0.00 C ATOM 617 SD MET A 37 13.213 -2.231 -5.281 1.00 0.00 S ATOM 618 CE MET A 37 13.312 -1.347 -3.730 1.00 0.00 C ATOM 0 H MET A 37 8.266 -0.474 -6.016 1.00 0.00 H new ATOM 0 HA MET A 37 10.564 0.659 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.052 0.114 -5.093 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.572 -1.544 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.395 -1.338 -7.347 1.00 0.00 H new ATOM 0 HG3 MET A 37 13.022 -0.075 -6.306 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.348 -1.321 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.950 -0.328 -3.868 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.699 -1.852 -2.984 1.00 0.00 H new ATOM 628 N PRO A 38 9.785 -0.976 -9.296 1.00 0.00 N ATOM 629 CA PRO A 38 9.600 -1.963 -10.358 1.00 0.00 C ATOM 630 C PRO A 38 10.917 -2.580 -10.825 1.00 0.00 C ATOM 631 O PRO A 38 10.934 -3.408 -11.736 1.00 0.00 O ATOM 632 CB PRO A 38 8.971 -1.137 -11.475 1.00 0.00 C ATOM 633 CG PRO A 38 9.548 0.227 -11.302 1.00 0.00 C ATOM 634 CD PRO A 38 9.798 0.401 -9.823 1.00 0.00 C ATOM 0 HA PRO A 38 8.998 -2.812 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.211 -1.548 -12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.884 -1.121 -11.393 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.474 0.331 -11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.862 0.989 -11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.753 0.892 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.027 1.014 -9.357 1.00 0.00 H new ATOM 642 N GLU A 39 12.018 -2.175 -10.198 1.00 0.00 N ATOM 643 CA GLU A 39 13.333 -2.691 -10.556 1.00 0.00 C ATOM 644 C GLU A 39 14.177 -2.936 -9.312 1.00 0.00 C ATOM 645 O GLU A 39 14.159 -2.144 -8.371 1.00 0.00 O ATOM 646 CB GLU A 39 14.052 -1.716 -11.489 1.00 0.00 C ATOM 647 CG GLU A 39 15.064 -2.384 -12.404 1.00 0.00 C ATOM 648 CD GLU A 39 14.438 -2.918 -13.678 1.00 0.00 C ATOM 649 OE1 GLU A 39 13.603 -2.204 -14.274 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.781 -4.049 -14.080 1.00 0.00 O ATOM 0 H GLU A 39 12.024 -1.492 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 39 13.194 -3.641 -11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.312 -1.196 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.560 -0.960 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.845 -1.668 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.546 -3.203 -11.870 1.00 0.00 H new ATOM 657 N LYS A 40 14.928 -4.034 -9.315 1.00 0.00 N ATOM 658 CA LYS A 40 15.785 -4.374 -8.182 1.00 0.00 C ATOM 659 C LYS A 40 16.921 -3.376 -8.014 1.00 0.00 C ATOM 660 O LYS A 40 17.669 -3.419 -7.039 1.00 0.00 O ATOM 661 CB LYS A 40 16.334 -5.799 -8.318 1.00 0.00 C ATOM 662 CG LYS A 40 17.323 -5.970 -9.460 1.00 0.00 C ATOM 663 CD LYS A 40 17.458 -7.431 -9.864 1.00 0.00 C ATOM 664 CE LYS A 40 18.187 -8.239 -8.803 1.00 0.00 C ATOM 665 NZ LYS A 40 19.662 -8.058 -8.882 1.00 0.00 N ATOM 0 H LYS A 40 14.961 -4.701 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 40 15.168 -4.326 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.820 -6.082 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.501 -6.487 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.996 -5.383 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.297 -5.582 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.468 -7.856 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.997 -7.500 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.837 -7.940 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.944 -9.295 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.122 -8.626 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.000 -8.367 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.896 -7.054 -8.744 1.00 0.00 H new ATOM 679 N GLY A 41 17.031 -2.484 -8.974 1.00 0.00 N ATOM 680 CA GLY A 41 18.068 -1.467 -8.950 1.00 0.00 C ATOM 681 C GLY A 41 17.592 -0.160 -8.345 1.00 0.00 C ATOM 682 O GLY A 41 18.047 0.239 -7.273 1.00 0.00 O ATOM 0 H GLY A 41 16.414 -2.440 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.921 -1.837 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.417 -1.286 -9.966 1.00 0.00 H new ATOM 686 N VAL A 42 16.671 0.510 -9.035 1.00 0.00 N ATOM 687 CA VAL A 42 16.138 1.781 -8.560 1.00 0.00 C ATOM 688 C VAL A 42 14.622 1.837 -8.727 1.00 0.00 C ATOM 689 O VAL A 42 14.091 1.473 -9.777 1.00 0.00 O ATOM 690 CB VAL A 42 16.776 2.971 -9.305 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.431 4.283 -8.618 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.285 2.794 -9.401 1.00 0.00 C ATOM 0 H VAL A 42 16.280 0.193 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 42 16.385 1.854 -7.501 1.00 0.00 H new ATOM 0 HB VAL A 42 16.369 3.000 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.891 5.109 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.349 4.414 -8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.805 4.267 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.718 3.643 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.709 2.736 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.510 1.876 -9.944 1.00 0.00 H new ATOM 702 N PHE A 43 13.928 2.283 -7.683 1.00 0.00 N ATOM 703 CA PHE A 43 12.469 2.371 -7.722 1.00 0.00 C ATOM 704 C PHE A 43 11.998 3.361 -8.781 1.00 0.00 C ATOM 705 O PHE A 43 12.798 4.100 -9.355 1.00 0.00 O ATOM 706 CB PHE A 43 11.884 2.756 -6.355 1.00 0.00 C ATOM 707 CG PHE A 43 12.826 3.509 -5.458 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.973 4.880 -5.578 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.557 2.840 -4.492 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.836 5.572 -4.748 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.420 3.525 -3.659 1.00 0.00 C ATOM 712 CZ PHE A 43 14.559 4.893 -3.788 1.00 0.00 C ATOM 0 H PHE A 43 14.348 2.587 -6.805 1.00 0.00 H new ATOM 0 HA PHE A 43 12.105 1.378 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.993 3.363 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.564 1.848 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.408 5.415 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.452 1.770 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.944 6.642 -4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.985 2.992 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.233 5.431 -3.138 1.00 0.00 H new ATOM 722 N ASP A 44 10.691 3.368 -9.036 1.00 0.00 N ATOM 723 CA ASP A 44 10.110 4.264 -10.032 1.00 0.00 C ATOM 724 C ASP A 44 9.597 5.547 -9.383 1.00 0.00 C ATOM 725 O ASP A 44 8.506 5.574 -8.814 1.00 0.00 O ATOM 726 CB ASP A 44 8.972 3.568 -10.787 1.00 0.00 C ATOM 727 CG ASP A 44 9.296 3.365 -12.255 1.00 0.00 C ATOM 728 OD1 ASP A 44 10.276 2.650 -12.553 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.569 3.922 -13.106 1.00 0.00 O ATOM 0 H ASP A 44 10.016 2.764 -8.567 1.00 0.00 H new ATOM 0 HA ASP A 44 10.895 4.526 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.770 2.602 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.062 4.162 -10.696 1.00 0.00 H new ATOM 734 N ASP A 45 10.390 6.610 -9.480 1.00 0.00 N ATOM 735 CA ASP A 45 10.025 7.902 -8.905 1.00 0.00 C ATOM 736 C ASP A 45 8.656 8.376 -9.397 1.00 0.00 C ATOM 737 O ASP A 45 8.029 9.228 -8.768 1.00 0.00 O ATOM 738 CB ASP A 45 11.090 8.947 -9.244 1.00 0.00 C ATOM 739 CG ASP A 45 12.489 8.478 -8.895 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.728 8.155 -7.712 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.345 8.434 -9.803 1.00 0.00 O ATOM 0 H ASP A 45 11.293 6.602 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 45 9.966 7.777 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.042 9.179 -10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.874 9.870 -8.706 1.00 0.00 H new ATOM 746 N GLU A 46 8.195 7.826 -10.519 1.00 0.00 N ATOM 747 CA GLU A 46 6.899 8.207 -11.073 1.00 0.00 C ATOM 748 C GLU A 46 5.789 7.948 -10.062 1.00 0.00 C ATOM 749 O GLU A 46 5.042 8.855 -9.693 1.00 0.00 O ATOM 750 CB GLU A 46 6.622 7.432 -12.363 1.00 0.00 C ATOM 751 CG GLU A 46 7.627 7.715 -13.468 1.00 0.00 C ATOM 752 CD GLU A 46 7.614 6.657 -14.553 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.522 6.364 -15.086 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.696 6.119 -14.871 1.00 0.00 O ATOM 0 H GLU A 46 8.696 7.120 -11.058 1.00 0.00 H new ATOM 0 HA GLU A 46 6.924 9.273 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.626 6.364 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.622 7.681 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.410 8.687 -13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.627 7.777 -13.038 1.00 0.00 H new ATOM 761 N LYS A 47 5.699 6.705 -9.606 1.00 0.00 N ATOM 762 CA LYS A 47 4.691 6.325 -8.625 1.00 0.00 C ATOM 763 C LYS A 47 4.978 6.993 -7.286 1.00 0.00 C ATOM 764 O LYS A 47 4.062 7.320 -6.531 1.00 0.00 O ATOM 765 CB LYS A 47 4.652 4.805 -8.461 1.00 0.00 C ATOM 766 CG LYS A 47 4.034 4.083 -9.647 1.00 0.00 C ATOM 767 CD LYS A 47 4.681 2.726 -9.873 1.00 0.00 C ATOM 768 CE LYS A 47 4.574 2.294 -11.326 1.00 0.00 C ATOM 769 NZ LYS A 47 5.508 1.179 -11.645 1.00 0.00 N ATOM 0 H LYS A 47 6.311 5.944 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 47 3.717 6.661 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.667 4.438 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.088 4.559 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.965 3.954 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.144 4.693 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.730 2.769 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.203 1.983 -9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.551 1.982 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.789 3.144 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.404 0.914 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.486 1.484 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.287 0.359 -11.045 1.00 0.00 H new ATOM 783 N ILE A 48 6.261 7.203 -7.006 1.00 0.00 N ATOM 784 CA ILE A 48 6.682 7.843 -5.765 1.00 0.00 C ATOM 785 C ILE A 48 6.090 9.245 -5.656 1.00 0.00 C ATOM 786 O ILE A 48 5.533 9.616 -4.624 1.00 0.00 O ATOM 787 CB ILE A 48 8.219 7.944 -5.683 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.853 6.554 -5.789 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.645 8.635 -4.394 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.625 5.684 -4.573 1.00 0.00 C ATOM 0 H ILE A 48 7.028 6.938 -7.624 1.00 0.00 H new ATOM 0 HA ILE A 48 6.320 7.226 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 48 8.570 8.546 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.451 6.048 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.926 6.665 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.733 8.696 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.224 9.640 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.284 8.064 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.104 4.716 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.052 6.168 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.555 5.540 -4.424 1.00 0.00 H new ATOM 802 N ALA A 49 6.218 10.018 -6.729 1.00 0.00 N ATOM 803 CA ALA A 49 5.698 11.377 -6.754 1.00 0.00 C ATOM 804 C ALA A 49 4.199 11.388 -6.481 1.00 0.00 C ATOM 805 O ALA A 49 3.717 12.144 -5.638 1.00 0.00 O ATOM 806 CB ALA A 49 5.999 12.035 -8.094 1.00 0.00 C ATOM 0 H ALA A 49 6.677 9.725 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 49 6.192 11.947 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.604 13.051 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.077 12.064 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.532 11.461 -8.894 1.00 0.00 H new ATOM 812 N GLU A 50 3.467 10.538 -7.195 1.00 0.00 N ATOM 813 CA GLU A 50 2.022 10.443 -7.024 1.00 0.00 C ATOM 814 C GLU A 50 1.674 10.114 -5.576 1.00 0.00 C ATOM 815 O GLU A 50 0.674 10.592 -5.041 1.00 0.00 O ATOM 816 CB GLU A 50 1.446 9.376 -7.960 1.00 0.00 C ATOM 817 CG GLU A 50 0.001 9.006 -7.654 1.00 0.00 C ATOM 818 CD GLU A 50 -0.890 9.064 -8.880 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.367 8.904 -10.002 1.00 0.00 O ATOM 820 OE2 GLU A 50 -2.112 9.271 -8.717 1.00 0.00 O ATOM 0 H GLU A 50 3.851 9.906 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 50 1.582 11.408 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.510 9.734 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.062 8.479 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.031 8.001 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.390 9.682 -6.894 1.00 0.00 H new ATOM 827 N LEU A 51 2.508 9.294 -4.946 1.00 0.00 N ATOM 828 CA LEU A 51 2.290 8.902 -3.561 1.00 0.00 C ATOM 829 C LEU A 51 2.317 10.122 -2.646 1.00 0.00 C ATOM 830 O LEU A 51 1.383 10.351 -1.877 1.00 0.00 O ATOM 831 CB LEU A 51 3.352 7.892 -3.127 1.00 0.00 C ATOM 832 CG LEU A 51 3.232 7.405 -1.683 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.821 6.917 -1.403 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.242 6.301 -1.410 1.00 0.00 C ATOM 0 H LEU A 51 3.341 8.889 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 51 1.307 8.437 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.303 7.029 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.336 8.342 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 51 3.446 8.241 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.753 6.574 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.116 7.733 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.581 6.094 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.144 5.965 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.057 5.464 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.250 6.682 -1.573 1.00 0.00 H new ATOM 846 N LEU A 52 3.386 10.909 -2.742 1.00 0.00 N ATOM 847 CA LEU A 52 3.532 12.109 -1.934 1.00 0.00 C ATOM 848 C LEU A 52 2.283 12.975 -2.001 1.00 0.00 C ATOM 849 O LEU A 52 1.787 13.457 -0.982 1.00 0.00 O ATOM 850 CB LEU A 52 4.733 12.877 -2.406 1.00 0.00 C ATOM 851 CG LEU A 52 6.036 12.196 -2.044 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.172 12.951 -2.651 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.188 12.101 -0.537 1.00 0.00 C ATOM 0 H LEU A 52 4.165 10.733 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 52 3.671 11.818 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.679 13.000 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.716 13.876 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 52 6.035 11.180 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.112 12.464 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.059 12.969 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.176 13.972 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.130 11.609 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.182 13.103 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.361 11.523 -0.124 1.00 0.00 H new ATOM 865 N THR A 53 1.772 13.153 -3.213 1.00 0.00 N ATOM 866 CA THR A 53 0.569 13.948 -3.428 1.00 0.00 C ATOM 867 C THR A 53 -0.622 13.292 -2.741 1.00 0.00 C ATOM 868 O THR A 53 -1.531 13.971 -2.263 1.00 0.00 O ATOM 869 CB THR A 53 0.292 14.101 -4.924 1.00 0.00 C ATOM 870 OG1 THR A 53 1.388 14.717 -5.577 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.942 14.924 -5.223 1.00 0.00 C ATOM 0 H THR A 53 2.173 12.757 -4.063 1.00 0.00 H new ATOM 0 HA THR A 53 0.725 14.938 -2.999 1.00 0.00 H new ATOM 0 HB THR A 53 0.131 13.088 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.192 14.804 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.081 14.993 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.814 14.448 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.821 15.925 -4.808 1.00 0.00 H new ATOM 879 N LYS A 54 -0.602 11.964 -2.689 1.00 0.00 N ATOM 880 CA LYS A 54 -1.669 11.205 -2.053 1.00 0.00 C ATOM 881 C LYS A 54 -1.650 11.421 -0.541 1.00 0.00 C ATOM 882 O LYS A 54 -2.688 11.372 0.117 1.00 0.00 O ATOM 883 CB LYS A 54 -1.523 9.715 -2.376 1.00 0.00 C ATOM 884 CG LYS A 54 -2.844 9.020 -2.660 1.00 0.00 C ATOM 885 CD LYS A 54 -2.642 7.755 -3.479 1.00 0.00 C ATOM 886 CE LYS A 54 -3.950 7.012 -3.690 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.686 7.511 -4.884 1.00 0.00 N ATOM 0 H LYS A 54 0.145 11.391 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.624 11.557 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.870 9.602 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.033 9.217 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.335 8.771 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.506 9.700 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.208 8.012 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.930 7.103 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.748 5.947 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.577 7.122 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.699 7.302 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.552 8.539 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.322 7.042 -5.738 1.00 0.00 H new ATOM 901 N LEU A 55 -0.459 11.668 -0.003 1.00 0.00 N ATOM 902 CA LEU A 55 -0.292 11.899 1.427 1.00 0.00 C ATOM 903 C LEU A 55 -0.871 13.250 1.835 1.00 0.00 C ATOM 904 O LEU A 55 -1.450 13.389 2.913 1.00 0.00 O ATOM 905 CB LEU A 55 1.190 11.844 1.802 1.00 0.00 C ATOM 906 CG LEU A 55 1.864 10.471 1.670 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.809 10.241 2.832 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.835 9.351 1.602 1.00 0.00 C ATOM 0 H LEU A 55 0.408 11.713 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.831 11.114 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.730 12.554 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.297 12.182 2.833 1.00 0.00 H new ATOM 0 HG LEU A 55 2.430 10.463 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.282 9.264 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.575 11.016 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.251 10.277 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.346 8.393 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.233 9.354 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.188 9.503 0.738 1.00 0.00 H new ATOM 920 N GLY A 56 -0.702 14.244 0.969 1.00 0.00 N ATOM 921 CA GLY A 56 -1.205 15.575 1.256 1.00 0.00 C ATOM 922 C GLY A 56 -0.141 16.475 1.856 1.00 0.00 C ATOM 923 O GLY A 56 -0.439 17.331 2.689 1.00 0.00 O ATOM 0 H GLY A 56 -0.225 14.151 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.582 16.024 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.047 15.502 1.944 1.00 0.00 H new ATOM 927 N ARG A 57 1.104 16.277 1.432 1.00 0.00 N ATOM 928 CA ARG A 57 2.220 17.074 1.929 1.00 0.00 C ATOM 929 C ARG A 57 3.306 17.206 0.865 1.00 0.00 C ATOM 930 O ARG A 57 3.150 16.726 -0.258 1.00 0.00 O ATOM 931 CB ARG A 57 2.803 16.443 3.195 1.00 0.00 C ATOM 932 CG ARG A 57 2.039 16.801 4.460 1.00 0.00 C ATOM 933 CD ARG A 57 1.113 15.676 4.890 1.00 0.00 C ATOM 934 NE ARG A 57 -0.029 16.168 5.658 1.00 0.00 N ATOM 935 CZ ARG A 57 -1.028 15.396 6.078 1.00 0.00 C ATOM 936 NH1 ARG A 57 -1.032 14.096 5.807 1.00 0.00 N ATOM 937 NH2 ARG A 57 -2.027 15.925 6.771 1.00 0.00 N ATOM 0 H ARG A 57 1.365 15.570 0.744 1.00 0.00 H new ATOM 0 HA ARG A 57 1.846 18.069 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.812 15.359 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.840 16.760 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.744 17.020 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.458 17.707 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.755 15.145 4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.671 14.957 5.490 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.062 17.162 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.266 13.684 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.801 13.510 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.029 16.923 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.793 15.334 7.093 1.00 0.00 H new ATOM 951 N ASP A 58 4.407 17.860 1.224 1.00 0.00 N ATOM 952 CA ASP A 58 5.517 18.056 0.296 1.00 0.00 C ATOM 953 C ASP A 58 6.684 17.132 0.635 1.00 0.00 C ATOM 954 O ASP A 58 7.433 16.716 -0.249 1.00 0.00 O ATOM 955 CB ASP A 58 5.981 19.513 0.326 1.00 0.00 C ATOM 956 CG ASP A 58 6.755 19.899 -0.920 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.203 19.751 -2.030 1.00 0.00 O ATOM 958 OD2 ASP A 58 7.912 20.348 -0.784 1.00 0.00 O ATOM 0 H ASP A 58 4.555 18.263 2.149 1.00 0.00 H new ATOM 0 HA ASP A 58 5.166 17.812 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.114 20.166 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.607 19.674 1.204 1.00 0.00 H new ATOM 963 N THR A 59 6.834 16.818 1.916 1.00 0.00 N ATOM 964 CA THR A 59 7.912 15.946 2.366 1.00 0.00 C ATOM 965 C THR A 59 7.367 14.606 2.850 1.00 0.00 C ATOM 966 O THR A 59 6.173 14.471 3.119 1.00 0.00 O ATOM 967 CB THR A 59 8.709 16.619 3.484 1.00 0.00 C ATOM 968 OG1 THR A 59 9.592 15.697 4.095 1.00 0.00 O ATOM 969 CG2 THR A 59 7.835 17.209 4.570 1.00 0.00 C ATOM 0 H THR A 59 6.223 17.154 2.661 1.00 0.00 H new ATOM 0 HA THR A 59 8.572 15.763 1.518 1.00 0.00 H new ATOM 0 HB THR A 59 9.257 17.429 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.094 16.147 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.463 17.671 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.176 17.962 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.236 16.420 5.024 1.00 0.00 H new ATOM 977 N GLN A 60 8.252 13.621 2.967 1.00 0.00 N ATOM 978 CA GLN A 60 7.866 12.291 3.423 1.00 0.00 C ATOM 979 C GLN A 60 8.351 12.051 4.847 1.00 0.00 C ATOM 980 O GLN A 60 9.515 11.716 5.073 1.00 0.00 O ATOM 981 CB GLN A 60 8.437 11.221 2.494 1.00 0.00 C ATOM 982 CG GLN A 60 9.870 11.489 2.062 1.00 0.00 C ATOM 983 CD GLN A 60 10.675 10.216 1.891 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.736 10.054 2.495 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.175 9.306 1.064 1.00 0.00 N ATOM 0 H GLN A 60 9.244 13.720 2.752 1.00 0.00 H new ATOM 0 HA GLN A 60 6.778 12.229 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.393 10.255 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.807 11.148 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.865 12.040 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.356 12.125 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.292 9.483 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.674 8.430 0.908 1.00 0.00 H new ATOM 994 N ILE A 61 7.449 12.223 5.800 1.00 0.00 N ATOM 995 CA ILE A 61 7.767 12.033 7.209 1.00 0.00 C ATOM 996 C ILE A 61 7.743 10.561 7.594 1.00 0.00 C ATOM 997 O ILE A 61 6.721 10.039 8.038 1.00 0.00 O ATOM 998 CB ILE A 61 6.791 12.806 8.117 1.00 0.00 C ATOM 999 CG1 ILE A 61 6.648 14.250 7.635 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.268 12.767 9.561 1.00 0.00 C ATOM 1001 CD1 ILE A 61 7.949 15.024 7.651 1.00 0.00 C ATOM 0 H ILE A 61 6.482 12.496 5.622 1.00 0.00 H new ATOM 0 HA ILE A 61 8.775 12.422 7.354 1.00 0.00 H new ATOM 0 HB ILE A 61 5.813 12.328 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.248 14.248 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.921 14.764 8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.568 13.317 10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.323 11.732 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.255 13.224 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.773 16.040 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.340 15.057 8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.672 14.533 7.000 1.00 0.00 H new ATOM 1013 N GLY A 62 8.879 9.899 7.425 1.00 0.00 N ATOM 1014 CA GLY A 62 8.975 8.493 7.765 1.00 0.00 C ATOM 1015 C GLY A 62 8.109 7.624 6.879 1.00 0.00 C ATOM 1016 O GLY A 62 7.603 6.590 7.318 1.00 0.00 O ATOM 0 H GLY A 62 9.737 10.311 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.013 8.172 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.681 8.353 8.805 1.00 0.00 H new ATOM 1020 N LEU A 63 7.933 8.047 5.629 1.00 0.00 N ATOM 1021 CA LEU A 63 7.119 7.302 4.666 1.00 0.00 C ATOM 1022 C LEU A 63 7.387 5.802 4.760 1.00 0.00 C ATOM 1023 O LEU A 63 8.538 5.370 4.838 1.00 0.00 O ATOM 1024 CB LEU A 63 7.397 7.794 3.244 1.00 0.00 C ATOM 1025 CG LEU A 63 6.314 8.695 2.645 1.00 0.00 C ATOM 1026 CD1 LEU A 63 5.109 7.869 2.223 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.904 9.770 3.640 1.00 0.00 C ATOM 0 H LEU A 63 8.343 8.903 5.257 1.00 0.00 H new ATOM 0 HA LEU A 63 6.071 7.477 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.342 8.338 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.527 6.928 2.595 1.00 0.00 H new ATOM 0 HG LEU A 63 6.722 9.184 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.349 8.525 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.414 7.137 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.700 7.353 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.133 10.401 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.514 9.300 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.771 10.380 3.894 1.00 0.00 H new ATOM 1039 N THR A 64 6.317 5.014 4.762 1.00 0.00 N ATOM 1040 CA THR A 64 6.444 3.565 4.860 1.00 0.00 C ATOM 1041 C THR A 64 5.603 2.852 3.802 1.00 0.00 C ATOM 1042 O THR A 64 4.583 3.370 3.345 1.00 0.00 O ATOM 1043 CB THR A 64 6.030 3.093 6.254 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.274 4.102 7.217 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.758 1.844 6.703 1.00 0.00 C ATOM 0 H THR A 64 5.357 5.352 4.697 1.00 0.00 H new ATOM 0 HA THR A 64 7.490 3.313 4.685 1.00 0.00 H new ATOM 0 HB THR A 64 4.966 2.867 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.001 3.782 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.418 1.563 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.551 1.032 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.831 2.037 6.727 1.00 0.00 H new ATOM 1053 N MET A 65 6.039 1.653 3.432 1.00 0.00 N ATOM 1054 CA MET A 65 5.340 0.848 2.441 1.00 0.00 C ATOM 1055 C MET A 65 5.037 -0.539 3.000 1.00 0.00 C ATOM 1056 O MET A 65 5.756 -1.030 3.871 1.00 0.00 O ATOM 1057 CB MET A 65 6.180 0.731 1.167 1.00 0.00 C ATOM 1058 CG MET A 65 6.145 1.978 0.299 1.00 0.00 C ATOM 1059 SD MET A 65 7.507 3.107 0.651 1.00 0.00 S ATOM 1060 CE MET A 65 6.643 4.674 0.713 1.00 0.00 C ATOM 0 H MET A 65 6.880 1.216 3.808 1.00 0.00 H new ATOM 0 HA MET A 65 4.398 1.339 2.197 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.213 0.518 1.441 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.824 -0.118 0.583 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.182 1.687 -0.751 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.199 2.497 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.362 5.481 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.101 4.828 -0.220 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.939 4.669 1.545 1.00 0.00 H new ATOM 1070 N PRO A 66 3.965 -1.192 2.519 1.00 0.00 N ATOM 1071 CA PRO A 66 3.075 -0.658 1.486 1.00 0.00 C ATOM 1072 C PRO A 66 2.070 0.350 2.031 1.00 0.00 C ATOM 1073 O PRO A 66 1.355 0.074 2.995 1.00 0.00 O ATOM 1074 CB PRO A 66 2.344 -1.903 0.956 1.00 0.00 C ATOM 1075 CG PRO A 66 2.951 -3.068 1.670 1.00 0.00 C ATOM 1076 CD PRO A 66 3.534 -2.522 2.938 1.00 0.00 C ATOM 0 HA PRO A 66 3.634 -0.114 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.273 -1.840 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.467 -1.999 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.200 -3.829 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.720 -3.541 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.798 -2.479 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.366 -3.127 3.299 1.00 0.00 H new ATOM 1084 N GLN A 67 2.006 1.512 1.390 1.00 0.00 N ATOM 1085 CA GLN A 67 1.077 2.561 1.792 1.00 0.00 C ATOM 1086 C GLN A 67 -0.245 2.409 1.046 1.00 0.00 C ATOM 1087 O GLN A 67 -0.288 2.486 -0.182 1.00 0.00 O ATOM 1088 CB GLN A 67 1.680 3.939 1.517 1.00 0.00 C ATOM 1089 CG GLN A 67 1.187 5.018 2.465 1.00 0.00 C ATOM 1090 CD GLN A 67 1.836 4.934 3.833 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.273 4.106 4.706 1.00 0.00 O flip ATOM 1092 NE2 GLN A 67 2.831 5.606 4.104 1.00 0.00 N flip ATOM 0 H GLN A 67 2.588 1.751 0.588 1.00 0.00 H new ATOM 0 HA GLN A 67 0.890 2.468 2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.766 3.872 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.446 4.231 0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.388 5.997 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.106 4.934 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.231 6.230 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.255 5.539 5.029 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.321 2.180 1.790 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.633 2.003 1.185 1.00 0.00 C ATOM 1103 C VAL A 68 -3.449 3.291 1.209 1.00 0.00 C ATOM 1104 O VAL A 68 -3.159 4.210 1.975 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.431 0.885 1.886 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.654 0.501 1.066 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.547 -0.329 2.134 1.00 0.00 C ATOM 0 H VAL A 68 -1.310 2.113 2.808 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.456 1.720 0.147 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.773 1.262 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.202 -0.289 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.299 1.371 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.338 0.145 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.128 -1.107 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.172 -0.706 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.707 -0.044 2.768 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.473 3.347 0.360 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.331 4.520 0.276 1.00 0.00 C ATOM 1119 C PHE A 69 -6.782 4.120 0.036 1.00 0.00 C ATOM 1120 O PHE A 69 -7.063 3.092 -0.581 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.849 5.436 -0.841 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.510 6.039 -0.557 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.411 7.190 0.198 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.353 5.449 -1.037 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.180 7.750 0.469 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.118 6.003 -0.771 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.030 7.156 -0.017 1.00 0.00 C ATOM 0 H PHE A 69 -4.726 2.593 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.278 5.052 1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.798 4.871 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.577 6.233 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.307 7.657 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.418 4.546 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.114 8.651 1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.222 5.536 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.065 7.593 0.193 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.697 4.934 0.547 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.128 4.666 0.418 1.00 0.00 C ATOM 1139 C ALA A 70 -9.586 4.643 -1.035 1.00 0.00 C ATOM 1140 O ALA A 70 -8.926 5.198 -1.911 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.926 5.707 1.181 1.00 0.00 C ATOM 0 H ALA A 70 -7.475 5.789 1.057 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.305 3.676 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.991 5.497 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.651 5.676 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.711 6.697 0.779 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.743 4.000 -1.295 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.337 3.903 -2.640 1.00 0.00 C ATOM 1149 C PRO A 71 -11.728 5.269 -3.177 1.00 0.00 C ATOM 1150 O PRO A 71 -12.894 5.531 -3.468 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.579 3.034 -2.414 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.292 2.322 -1.148 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.581 3.323 -0.299 1.00 0.00 C ATOM 0 HA PRO A 71 -10.646 3.489 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.481 3.640 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.734 2.337 -3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.210 1.979 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.674 1.441 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.271 4.009 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.988 2.851 0.484 1.00 0.00 H new ATOM 1161 N ASP A 72 -10.727 6.133 -3.268 1.00 0.00 N ATOM 1162 CA ASP A 72 -10.893 7.509 -3.740 1.00 0.00 C ATOM 1163 C ASP A 72 -11.190 8.438 -2.570 1.00 0.00 C ATOM 1164 O ASP A 72 -11.872 9.451 -2.723 1.00 0.00 O ATOM 1165 CB ASP A 72 -11.993 7.616 -4.797 1.00 0.00 C ATOM 1166 CG ASP A 72 -11.604 8.527 -5.945 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -10.666 8.175 -6.690 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -12.239 9.592 -6.100 1.00 0.00 O ATOM 0 H ASP A 72 -9.766 5.901 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.956 7.813 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.218 6.623 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.905 7.991 -4.332 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.670 8.079 -1.398 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.880 8.886 -0.208 1.00 0.00 C ATOM 1175 C GLY A 73 -9.607 9.550 0.275 1.00 0.00 C ATOM 1176 O GLY A 73 -9.259 10.644 -0.168 1.00 0.00 O ATOM 0 H GLY A 73 -10.106 7.242 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.627 9.651 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.282 8.258 0.587 1.00 0.00 H new ATOM 1180 N SER A 74 -8.909 8.880 1.188 1.00 0.00 N ATOM 1181 CA SER A 74 -7.664 9.402 1.740 1.00 0.00 C ATOM 1182 C SER A 74 -6.748 8.267 2.190 1.00 0.00 C ATOM 1183 O SER A 74 -7.054 7.091 1.998 1.00 0.00 O ATOM 1184 CB SER A 74 -7.957 10.334 2.918 1.00 0.00 C ATOM 1185 OG SER A 74 -9.220 10.048 3.492 1.00 0.00 O ATOM 0 H SER A 74 -9.186 7.972 1.561 1.00 0.00 H new ATOM 0 HA SER A 74 -7.156 9.964 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.178 10.227 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.934 11.370 2.581 1.00 0.00 H new ATOM 0 HG SER A 74 -9.383 10.656 4.243 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.621 8.638 2.785 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.644 7.667 3.266 1.00 0.00 C ATOM 1193 C HIS A 75 -5.192 6.874 4.448 1.00 0.00 C ATOM 1194 O HIS A 75 -5.644 7.451 5.438 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.360 8.394 3.668 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.288 7.489 4.186 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.646 7.670 5.389 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.738 6.378 3.632 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.744 6.689 5.526 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.762 5.877 4.487 1.00 0.00 N ATOM 0 H HIS A 75 -5.359 9.610 2.947 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.429 6.962 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.977 8.938 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.597 9.134 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.014 5.951 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.088 6.578 6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.180 5.052 4.341 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.147 5.549 4.339 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.637 4.677 5.402 1.00 0.00 C ATOM 1210 C ILE A 76 -4.519 4.307 6.370 1.00 0.00 C ATOM 1211 O ILE A 76 -4.701 4.344 7.587 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.241 3.376 4.838 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.255 3.683 3.736 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.888 2.566 5.952 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.187 2.712 2.577 1.00 0.00 C ATOM 0 H ILE A 76 -4.777 5.056 3.526 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.411 5.237 5.927 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.436 2.784 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.259 3.664 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.085 4.694 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.310 1.650 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.138 2.313 6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.680 3.153 6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.932 2.985 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.194 2.748 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.387 1.702 2.936 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.367 3.942 5.820 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.243 3.562 6.652 1.00 0.00 C ATOM 1229 C GLY A 77 -1.580 2.282 6.187 1.00 0.00 C ATOM 1230 O GLY A 77 -1.576 1.968 4.998 1.00 0.00 O ATOM 0 H GLY A 77 -3.192 3.903 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.508 4.367 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.583 3.438 7.680 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.013 1.550 7.135 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.342 0.302 6.814 1.00 0.00 C ATOM 1236 C GLY A 78 -1.281 -0.889 6.841 1.00 0.00 C ATOM 1237 O GLY A 78 -2.476 -0.754 6.578 1.00 0.00 O ATOM 0 H GLY A 78 -1.005 1.797 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.110 0.381 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.469 0.137 7.523 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.738 -2.064 7.160 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.538 -3.283 7.217 1.00 0.00 C ATOM 1243 C PHE A 79 -2.480 -3.262 8.418 1.00 0.00 C ATOM 1244 O PHE A 79 -3.694 -3.128 8.262 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.630 -4.515 7.288 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.384 -5.812 7.371 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.303 -6.158 6.392 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.178 -6.681 8.429 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.001 -7.349 6.468 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.875 -7.873 8.512 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.788 -8.207 7.529 1.00 0.00 C ATOM 0 H PHE A 79 0.249 -2.195 7.382 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.138 -3.335 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.013 -4.534 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.022 -4.427 8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.475 -5.490 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.465 -6.425 9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.713 -7.608 5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.706 -8.542 9.343 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.334 -9.137 7.591 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.913 -3.387 9.616 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.708 -3.376 10.840 1.00 0.00 C ATOM 1263 C ASP A 80 -3.556 -2.111 10.917 1.00 0.00 C ATOM 1264 O ASP A 80 -4.748 -2.163 11.231 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.800 -3.471 12.068 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.584 -3.549 13.363 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.372 -4.505 13.523 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.412 -2.653 14.217 1.00 0.00 O ATOM 0 H ASP A 80 -0.910 -3.497 9.764 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.371 -4.241 10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.164 -4.351 11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.141 -2.603 12.097 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.933 -0.975 10.620 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.628 0.304 10.644 1.00 0.00 C ATOM 1275 C GLN A 81 -4.861 0.252 9.752 1.00 0.00 C ATOM 1276 O GLN A 81 -5.884 0.870 10.049 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.696 1.427 10.182 1.00 0.00 C ATOM 1278 CG GLN A 81 -3.100 2.802 10.689 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.915 3.733 10.855 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.962 3.689 10.076 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.967 4.581 11.875 1.00 0.00 N ATOM 0 H GLN A 81 -1.948 -0.916 10.360 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.941 0.507 11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.683 1.208 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.673 1.443 9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.812 3.247 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.612 2.697 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.776 4.583 12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.198 5.231 12.038 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.759 -0.501 8.661 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.868 -0.643 7.730 1.00 0.00 C ATOM 1292 C LEU A 82 -6.888 -1.653 8.233 1.00 0.00 C ATOM 1293 O LEU A 82 -8.091 -1.460 8.063 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.380 -1.039 6.351 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.495 -1.096 5.317 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.105 -0.371 4.047 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.864 -2.532 5.037 1.00 0.00 C ATOM 0 H LEU A 82 -3.920 -1.021 8.402 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.354 0.330 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.623 -0.327 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.896 -2.014 6.409 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.369 -0.586 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.923 -0.430 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.896 0.674 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.215 -0.835 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.663 -2.565 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.993 -3.064 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.204 -3.007 5.958 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.420 -2.721 8.877 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.330 -3.727 9.419 1.00 0.00 C ATOM 1311 C ARG A 83 -8.387 -3.036 10.271 1.00 0.00 C ATOM 1312 O ARG A 83 -9.526 -3.492 10.363 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.564 -4.755 10.253 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.119 -5.973 9.460 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.134 -6.822 10.248 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.775 -7.989 10.850 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.128 -8.901 11.571 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -3.823 -8.785 11.784 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.788 -9.932 12.082 1.00 0.00 N ATOM 0 H ARG A 83 -5.430 -2.910 9.035 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.812 -4.254 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.687 -4.276 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.194 -5.081 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.989 -6.574 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.658 -5.652 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.330 -7.150 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.678 -6.215 11.030 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.778 -8.112 10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.311 -7.994 11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.332 -9.487 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.791 -10.025 11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.292 -10.631 12.635 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.000 -1.910 10.870 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.919 -1.129 11.682 1.00 0.00 C ATOM 1335 C GLU A 84 -9.952 -0.474 10.776 1.00 0.00 C ATOM 1336 O GLU A 84 -11.123 -0.350 11.134 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.161 -0.066 12.480 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.855 0.330 13.774 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.176 -0.247 15.001 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.108 0.273 15.389 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.711 -1.221 15.573 1.00 0.00 O ATOM 0 H GLU A 84 -7.058 -1.523 10.806 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.422 -1.788 12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.163 -0.439 12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.033 0.821 11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.876 1.417 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.891 -0.008 13.744 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.510 -0.087 9.580 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.390 0.520 8.598 1.00 0.00 C ATOM 1350 C TYR A 85 -11.465 -0.485 8.196 1.00 0.00 C ATOM 1351 O TYR A 85 -12.612 -0.124 7.938 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.574 0.945 7.374 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.329 1.801 6.384 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.333 1.264 5.591 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.024 3.147 6.234 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.016 2.044 4.678 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.700 3.935 5.323 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.695 3.379 4.548 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.371 4.160 3.639 1.00 0.00 O ATOM 0 H TYR A 85 -8.543 -0.186 9.273 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.869 1.401 9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.694 1.493 7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.216 0.051 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.585 0.218 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.245 3.585 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.796 1.611 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.450 4.981 5.219 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.024 5.076 3.673 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.070 -1.757 8.168 1.00 0.00 N ATOM 1370 CA PHE A 86 -11.971 -2.849 7.814 1.00 0.00 C ATOM 1371 C PHE A 86 -12.716 -3.372 9.039 1.00 0.00 C ATOM 1372 O PHE A 86 -13.922 -3.171 9.175 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.169 -3.980 7.159 1.00 0.00 C ATOM 1374 CG PHE A 86 -10.895 -3.752 5.699 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -11.885 -3.258 4.861 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.647 -4.018 5.164 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -11.632 -3.036 3.523 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.389 -3.796 3.827 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.382 -3.304 3.006 1.00 0.00 C ATOM 0 H PHE A 86 -10.121 -2.057 8.389 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.713 -2.471 7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.221 -4.095 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.714 -4.917 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -12.865 -3.045 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.865 -4.404 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.412 -2.653 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.410 -4.007 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.181 -3.129 1.959 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.988 -4.043 9.929 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.581 -4.594 11.141 1.00 0.00 C ATOM 1391 C LYS A 87 -13.700 -5.576 10.806 1.00 0.00 C ATOM 1392 O LYS A 87 -14.254 -6.183 11.745 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.123 -3.469 12.027 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.087 -2.893 12.978 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.732 -2.355 14.245 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.748 -2.330 15.404 1.00 0.00 C ATOM 1397 NZ LYS A 87 -11.274 -3.695 15.759 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.012 -5.727 9.606 1.00 0.00 O ATOM 0 H LYS A 87 -10.988 -4.217 9.832 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.802 -5.131 11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.506 -2.670 11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.965 -3.847 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.361 -3.664 13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.539 -2.093 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.108 -1.348 14.064 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.590 -2.973 14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.894 -1.706 15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.222 -1.873 16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.987 -3.714 16.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.042 -4.380 15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.461 -3.947 15.161 1.00 0.00 H new TER 1412 LYS A 87